A0A093HV78_STRCA Loading...

Protein Tob1

AlphaFold DB , UniProt , Accession A0A093HV78, Species STRCA (Struthio camelus australis), Gene n/a, Length 328 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
1M95.8Very high98.2Very high56 Ų5648.8 Ų48.828%0.27625%0.245SC..  0-600-165.1170.577.600114.3L3 E4 I5 Y40 W44M1-L3 PolarHBondContact O-N 3.43Å; M1-E4 WeakPolarHBondContact CA-OE2 3.33Å; M1-E4 PolarHBondContact N-OE1 3.48Å; M1-E4 PolarHBondContact N-OE2 3.28Å; M1-E4 PolarHBondContact O-N 3.4Å; M1-I5 HydrophobicContact CG-CD1 3.82Å; M1-I5 HydrophobicContact CG-CG1 4.44Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 3.34Å; M1-I5 HydrophobicContact SD-CD1 4.5Å; M1-Y40 HydrophobicContact CG-CD2 4.47Å; M1-Y40 HydrophobicContact SD-CD2 4.34Å; M1-W44 HydrophobicContact CB-CD2 3.72Å; M1-W44 HydrophobicContact CB-CE3 4.13Å; M1-W44 HydrophobicContact CB-CG 4.19Å; M1-W44 HydrophobicContact CB-CH2 4.19Å; M1-W44 HydrophobicContact CB-CZ2 3.76Å; M1-W44 HydrophobicContact CB-CZ3 4.36Å; M1-W44 HydrophobicContact CG-CD2 3.7Å; M1-W44 HydrophobicContact CG-CE3 3.62Å; M1-W44 HydrophobicContact CG-CG 4.33Å; M1-W44 HydrophobicContact CG-CH2 4.12Å; M1-W44 HydrophobicContact CG-CZ2 4.17Å; M1-W44 HydrophobicContact CG-CZ3 3.85Å; M1-W44 HydrophobicContact SD-CB 4.12Å; M1-W44 HydrophobicContact SD-CD2 3.88Å; M1-W44 HydrophobicContact SD-CE3 3.84Å; M1-W44 HydrophobicContact SD-CG 4.02Å
2Q97.3Very high98.2Very high115 Ų11544.8 Ų44.854%0.53723%0.225SC..Hα-helixtrans-67.8-35.1-169.7-176.7169.10.300113.6E4 Q6 K37Q2-E4 PolarHBondContact N-OE2 3.13Å; Q2-Q6 WeakPolarHBondContact O-CG 3.4Å; Q2-Q6 PolarHBondContact O-N 3.23Å; Q2-K37 VanDerWaalsContact NE2-NZ 3.11Å
3L97.9Very high98.2Very high98 Ų9842.8 Ų42.851%0.51322%0.215SC..Hα-helixtrans-65.6-44.3177175.260.2000110.9M1 Q6 V7 Y113M1-L3 PolarHBondContact O-N 3.43Å; L3-Q6 WeakPolarHBondContact O-CB 3.32Å; L3-Q6 PolarHBondContact O-N 3.26Å; L3-Q6 VanDerWaalsContact O-N 3.1Å; L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 2.94Å; L3-Y113 HydrophobicContact CD2-CE2 4.05Å; L3-Y113 WeakPolarHBondContact CD2-OH 3.42Å
4E98.5Very high98.2Very high16 Ų1644.3 Ų44.38%0.07523%0.231CC..Hα-helixtrans-64-42.2-180-55.794.6125.100110.7M1 Q2 V7 A8 W44 I94 V99 Y113M1-E4 WeakPolarHBondContact CA-OE2 3.33Å; M1-E4 PolarHBondContact N-OE1 3.48Å; M1-E4 PolarHBondContact N-OE2 3.28Å; M1-E4 PolarHBondContact O-N 3.4Å; Q2-E4 PolarHBondContact N-OE2 3.13Å; E4-V7 PolarHBondContact O-N 3.09Å; E4-A8 PolarHBondContact O-N 3.05Å; E4-A8 VanDerWaalsContact O-N 3.08Å; E4-W44 HydrophobicContact CB-CH2 4.21Å; E4-W44 HydrophobicContact CG-CH2 4.38Å; E4-W44 HydrophobicContact CG-CZ2 4.49Å; E4-W44 VanDerWaalsContact OE1-CZ2 3.29Å; E4-W44 WeakPolarHBondContact OE1-CZ2 3.32Å; E4-I94 HydrophobicContact CB-CG2 3.77Å; E4-V99 HydrophobicContact CB-CG2 3.57Å; E4-V99 HydrophobicContact CG-CG2 4.21Å; E4-V99 WeakPolarHBondContact O-CG2 3.26Å; E4-Y113 HydrophobicContact CG-CD1 4.18Å; E4-Y113 HydrophobicContact CG-CE1 3.95Å
5I98.7Very high98.3Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-59.1-46.3169.9-70.8172.4000110.8M1 V7 A8 L9 E33 L36 K37 Y40 I94M1-I5 HydrophobicContact CG-CD1 3.82Å; M1-I5 HydrophobicContact CG-CG1 4.44Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 3.34Å; M1-I5 HydrophobicContact SD-CD1 4.5Å; I5-V7 PolarHBondContact O-N 2.94Å; I5-A8 PolarHBondContact O-N 3.29Å; I5-L9 HydrophobicContact CG2-CD1 3.61Å; I5-L9 HydrophobicContact CG2-CG 4.08Å; I5-L9 WeakPolarHBondContact O-CB 2.93Å; I5-L9 WeakPolarHBondContact O-CG 3.5Å; I5-L9 PolarHBondContact O-N 2.67Å; I5-E33 HydrophobicContact CG2-CG 4.09Å; I5-L36 HydrophobicContact CD1-CB 4.26Å; I5-L36 HydrophobicContact CG2-CB 4.4Å; I5-L36 HydrophobicContact CG2-CD1 4.27Å; I5-K37 HydrophobicContact CD1-CG 3.89Å; I5-Y40 HydrophobicContact CD1-CD2 3.97Å; I5-Y40 HydrophobicContact CD1-CE2 4.29Å; I5-Y40 HydrophobicContact CG1-CD2 4.22Å; I5-Y40 HydrophobicContact CG1-CE2 4.08Å; I5-I94 HydrophobicContact CG1-CG2 4.31Å
6Q98.6Very high98.3Very high81 Ų8143.1 Ų43.138%0.37922%0.22SC..Hα-helixtrans-63.5-38.1179.5-75.1-68.6-2500113.2Q2 L3 N10 E33Q2-Q6 WeakPolarHBondContact O-CG 3.4Å; Q2-Q6 PolarHBondContact O-N 3.23Å; L3-Q6 WeakPolarHBondContact O-CB 3.32Å; L3-Q6 PolarHBondContact O-N 3.26Å; L3-Q6 VanDerWaalsContact O-N 3.1Å; Q6-N10 WeakPolarHBondContact O-CB 3.29Å; Q6-N10 PolarHBondContact O-N 2.79Å; Q6-E33 PolarHBondContact NE2-OE1 3.01Å; Q6-E33 PolarHBondContact NE2-OE2 3.11Å
7V98.8Very high98.2Very high37 Ų3743.6 Ų43.622%0.22422%0.219CC..Hα-helixtrans-61.6-49.5173.5171.50000110.9L3 E4 I5 N10 F11 V99 L112 Y113L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 2.94Å; E4-V7 PolarHBondContact O-N 3.09Å; I5-V7 PolarHBondContact O-N 2.94Å; V7-N10 PolarHBondContact O-N 3.32Å; V7-F11 PolarHBondContact O-N 3.3Å; V7-F11 VanDerWaalsContact O-N 3.08Å; V7-V99 HydrophobicContact CB-CG2 4.32Å; V7-V99 HydrophobicContact CG1-CB 4.21Å; V7-V99 HydrophobicContact CG1-CG1 4.24Å; V7-V99 HydrophobicContact CG1-CG2 4.39Å; V7-L112 HydrophobicContact CG1-CB 3.78Å; V7-Y113 HydrophobicContact CG2-CG 4.41Å
8A98.8Very high98.2Very high0 Ų050.2 Ų50.20%025%0.254CS..Hα-helixtrans-64.2-42179.600000112.5E4 I5 F11 I12 V92 I94 V99E4-A8 PolarHBondContact O-N 3.05Å; E4-A8 VanDerWaalsContact O-N 3.08Å; I5-A8 PolarHBondContact O-N 3.29Å; A8-F11 PolarHBondContact O-N 3.37Å; A8-I12 WeakPolarHBondContact O-CG1 3.47Å; A8-I12 PolarHBondContact O-N 3.26Å; A8-V92 HydrophobicContact CB-CG1 4.13Å; A8-I94 HydrophobicContact CB-CD1 3.27Å; A8-I94 HydrophobicContact CB-CG1 3.77Å; A8-V99 HydrophobicContact CB-CG1 3.92Å
9L98.6Very high98.2Very high4 Ų455.2 Ų55.22%0.02127%0.274CS..Hα-helixtrans-58.4-52.5175.2-75.5169.3000111.2I5 F11 I12 I13 L32 E33 L36I5-L9 HydrophobicContact CG2-CD1 3.61Å; I5-L9 HydrophobicContact CG2-CG 4.08Å; I5-L9 WeakPolarHBondContact O-CB 2.93Å; I5-L9 WeakPolarHBondContact O-CG 3.5Å; I5-L9 PolarHBondContact O-N 2.67Å; L9-F11 VanDerWaalsContact C-N 3.27Å; L9-F11 PolarHBondContact O-N 3.28Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-I12 VanDerWaalsContact O-N 3.13Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 WeakPolarHBondContact O-CG2 3.38Å; L9-I13 PolarHBondContact O-N 3.06Å; L9-L32 HydrophobicContact CD2-CB 3.77Å; L9-L32 HydrophobicContact CD2-CD2 3.68Å; L9-L32 HydrophobicContact CD2-CG 3.58Å; L9-E33 HydrophobicContact CD1-CB 3.5Å; L9-E33 HydrophobicContact CD1-CG 3.78Å; L9-L36 HydrophobicContact CD2-CD1 4.27Å
10N98.4Very high98.2Very high106 Ų10653.3 Ų53.357%0.56727%0.265SS*.Hα-helixtrans-57.8-41.6-179.9-173.129.7000111.5Q6 V7 S14Q6-N10 WeakPolarHBondContact O-CB 3.29Å; Q6-N10 PolarHBondContact O-N 2.79Å; V7-N10 PolarHBondContact O-N 3.32Å; N10-S14 VanDerWaalsContact O-CB 3.32Å; N10-S14 WeakPolarHBondContact O-CB 3.48Å; N10-S14 PolarHBondContact O-N 3.06Å; N10-S14 VanDerWaalsContact O-N 3.11Å
11F98.8Very high98.2Very high24 Ų2454.7 Ų54.711%0.10528%0.278CS..Hα-helixtrans-59.9-52.1172.8171.8-103000112.3V7 A8 L9 S14 Y15 L90 V92 Y101 L112V7-F11 PolarHBondContact O-N 3.3Å; V7-F11 VanDerWaalsContact O-N 3.08Å; A8-F11 PolarHBondContact O-N 3.37Å; L9-F11 VanDerWaalsContact C-N 3.27Å; L9-F11 PolarHBondContact O-N 3.28Å; F11-S14 WeakPolarHBondContact O-CB 3.42Å; F11-S14 PolarHBondContact O-N 3.34Å; F11-S14 PolarHBondContact O-OG 2.81Å; F11-Y15 HydrophobicContact CD2-CE2 4.2Å; F11-Y15 HydrophobicContact CE1-CE2 4.12Å; F11-Y15 AromaticContact CE2-CE2 3.77Å; F11-Y15 HydrophobicContact CE2-CE2 3.77Å; F11-Y15 WeakPolarHBondContact CE2-OH 3.43Å; F11-Y15 AromaticContact CZ-CE2 3.72Å; F11-Y15 HydrophobicContact CZ-CE2 3.72Å; F11-Y15 VanDerWaalsContact O-CD2 3.28Å; F11-Y15 WeakPolarHBondContact O-CD2 3.28Å; F11-Y15 WeakPolarHBondContact O-CE2 3.48Å; F11-L90 HydrophobicContact CE1-CD1 3.95Å; F11-L90 HydrophobicContact CE1-CD2 4.29Å; F11-L90 HydrophobicContact CZ-CD1 4.29Å; F11-V92 HydrophobicContact CD1-CG2 4.39Å; F11-V92 HydrophobicContact CE1-CG2 4.13Å; F11-Y101 HydrophobicContact CE1-CD1 4.47Å; F11-Y101 HydrophobicContact CE1-CD2 4.11Å; F11-Y101 HydrophobicContact CE1-CG 4Å; F11-Y101 HydrophobicContact CE2-CD1 4.31Å; F11-Y101 HydrophobicContact CE2-CD2 4.29Å; F11-Y101 HydrophobicContact CE2-CE1 4.05Å; F11-Y101 HydrophobicContact CE2-CE2 4.06Å; F11-Y101 HydrophobicContact CE2-CG 4.4Å; F11-Y101 AromaticContact CE2-CZ 3.91Å; F11-Y101 HydrophobicContact CZ-CD1 4.06Å; F11-Y101 AromaticContact CZ-CD2 3.5Å; F11-Y101 HydrophobicContact CZ-CD2 3.5Å; F11-Y101 HydrophobicContact CZ-CE1 4.16Å; F11-Y101 AromaticContact CZ-CE2 3.65Å; F11-Y101 HydrophobicContact CZ-CE2 3.65Å; F11-Y101 AromaticContact CZ-CG 3.71Å; F11-Y101 HydrophobicContact CZ-CG 3.71Å; F11-Y101 AromaticContact CZ-CZ 3.97Å; F11-L112 HydrophobicContact CB-CD1 3.74Å; F11-L112 HydrophobicContact CB-CD2 4.43Å; F11-L112 HydrophobicContact CD1-CD1 3.77Å; F11-L112 HydrophobicContact CD2-CD1 3.89Å; F11-L112 HydrophobicContact CD2-CD2 3.67Å; F11-L112 HydrophobicContact CD2-CG 4.44Å; F11-L112 HydrophobicContact CE1-CD1 4.35Å; F11-L112 HydrophobicContact CE2-CD1 4.45Å; F11-L112 HydrophobicContact CE2-CD2 4.16Å; F11-L112 HydrophobicContact CG-CD1 3.51Å; F11-L112 HydrophobicContact CG-CD2 4.13Å; F11-L112 HydrophobicContact CG-CG 4.49Å
12I98.6Very high98.3Very high0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-62.4-50.9-178.4-67.8166.8000111.3A8 L9 S14 Y15 F28 L32 I58 L86 V92A8-I12 WeakPolarHBondContact O-CG1 3.47Å; A8-I12 PolarHBondContact O-N 3.26Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-I12 VanDerWaalsContact O-N 3.13Å; I12-S14 PolarHBondContact O-N 3.25Å; I12-Y15 PolarHBondContact O-N 3.04Å; I12-F28 HydrophobicContact CG2-CE1 4.41Å; I12-L32 HydrophobicContact CD1-CD2 4.48Å; I12-L32 HydrophobicContact CG2-CD2 4.44Å; I12-I58 HydrophobicContact CD1-CD1 4.03Å; I12-L86 HydrophobicContact CG2-CD2 4.09Å; I12-V92 HydrophobicContact CD1-CG2 4.5Å
13I98.2Very high98.4Very high20 Ų2062.3 Ų62.310%0.10330%0.299CS..Hα-helixtrans-70.7-18.3-176.472.1-173000113L9 Y15 L16 Y17 V25 F28L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 WeakPolarHBondContact O-CG2 3.38Å; L9-I13 PolarHBondContact O-N 3.06Å; I13-Y15 PolarHBondContact O-N 3.02Å; I13-L16 PolarHBondContact O-N 3.04Å; I13-Y17 HydrophobicContact CB-CE2 4.33Å; I13-Y17 HydrophobicContact CD1-CE2 3.83Å; I13-Y17 HydrophobicContact CG1-CD2 4.28Å; I13-Y17 HydrophobicContact CG1-CE2 3.68Å; I13-Y17 WeakPolarHBondContact O-CD2 3.39Å; I13-Y17 PolarHBondContact O-N 3.14Å; I13-V25 HydrophobicContact CB-CG1 4.12Å; I13-F28 HydrophobicContact CG2-CD1 4.03Å; I13-F28 HydrophobicContact CG2-CE1 4.31Å
14S98.5Very high98.4Very high63 Ų6362.5 Ų62.544%0.44129%0.293SS..Hα-helixtrans-59.3-31.5175.276.50000113.2N10 F11 I12N10-S14 VanDerWaalsContact O-CB 3.32Å; N10-S14 WeakPolarHBondContact O-CB 3.48Å; N10-S14 PolarHBondContact O-N 3.06Å; N10-S14 VanDerWaalsContact O-N 3.11Å; F11-S14 WeakPolarHBondContact O-CB 3.42Å; F11-S14 PolarHBondContact O-N 3.34Å; F11-S14 PolarHBondContact O-OG 2.81Å; I12-S14 PolarHBondContact O-N 3.25Å
15Y98.5Very high98.4Very high70 Ų7061.7 Ų61.728%0.27529%0.289SS..Hα-helixtrans-73.1-27.8175.1-66.4-82.4000113.2F11 I12 I13 L86 P87F11-Y15 HydrophobicContact CD2-CE2 4.2Å; F11-Y15 HydrophobicContact CE1-CE2 4.12Å; F11-Y15 AromaticContact CE2-CE2 3.77Å; F11-Y15 HydrophobicContact CE2-CE2 3.77Å; F11-Y15 WeakPolarHBondContact CE2-OH 3.43Å; F11-Y15 AromaticContact CZ-CE2 3.72Å; F11-Y15 HydrophobicContact CZ-CE2 3.72Å; F11-Y15 VanDerWaalsContact O-CD2 3.28Å; F11-Y15 WeakPolarHBondContact O-CD2 3.28Å; F11-Y15 WeakPolarHBondContact O-CE2 3.48Å; I12-Y15 PolarHBondContact O-N 3.04Å; I13-Y15 PolarHBondContact O-N 3.02Å; Y15-L86 HydrophobicContact CD2-CD2 4.11Å; Y15-L86 HydrophobicContact CG-CD2 4.22Å; Y15-P87 HydrophobicContact CD1-CG 4.03Å; Y15-P87 HydrophobicContact CE1-CG 3.52Å; Y15-P87 HydrophobicContact CE2-CG 4.18Å
16L98.5Very high98.4Very high0 Ų064.4 Ų64.40%030%0.304CS..Hα-helixtrans-87.1-27.8-177.4-52.6-176.7000112.4I13 K19 L20 V25 F28 V82 N85 L86I13-L16 PolarHBondContact O-N 3.04Å; L16-K19 PolarHBondContact O-N 3.41Å; L16-L20 HydrophobicContact CB-CD1 4.3Å; L16-L20 HydrophobicContact CD2-CD1 4.01Å; L16-L20 PolarHBondContact O-N 3.47Å; L16-V25 HydrophobicContact CB-CG1 3.91Å; L16-V25 HydrophobicContact CB-CG2 4.02Å; L16-F28 HydrophobicContact CD1-CD1 3.82Å; L16-F28 HydrophobicContact CD1-CE1 3.75Å; L16-F28 HydrophobicContact CD1-CG 4.43Å; L16-F28 HydrophobicContact CD1-CZ 4.29Å; L16-V82 HydrophobicContact CD1-CG1 4.31Å; L16-V82 HydrophobicContact CD2-CG1 4.27Å; L16-N85 HydrophobicContact CD2-CB 4.03Å; L16-L86 HydrophobicContact CD2-CD2 4.47Å; L16-L86 HydrophobicContact CD2-CG 4.15Å
17Y97.8Very high98.4Very high52 Ų5262.1 Ų62.120%0.20429%0.293CS..THydrogen-bonded Turntrans-62.9142.7175.1-77.2-52.1000112.1I13 K19 R22 V25 N26I13-Y17 HydrophobicContact CB-CE2 4.33Å; I13-Y17 HydrophobicContact CD1-CE2 3.83Å; I13-Y17 HydrophobicContact CG1-CD2 4.28Å; I13-Y17 HydrophobicContact CG1-CE2 3.68Å; I13-Y17 WeakPolarHBondContact O-CD2 3.39Å; I13-Y17 PolarHBondContact O-N 3.14Å; Y17-K19 PolarHBondContact O-N 3.35Å; Y17-K19 VanDerWaalsContact O-N 3.13Å; Y17-R22 HydrophobicContact CD1-CG 4.36Å; Y17-R22 HydrophobicContact CE1-CG 4.11Å; Y17-V25 HydrophobicContact CD1-CB 4.21Å; Y17-V25 HydrophobicContact CD1-CG1 3.78Å; Y17-V25 HydrophobicContact CE1-CB 4.03Å; Y17-V25 HydrophobicContact CE1-CG1 3.62Å; Y17-V25 HydrophobicContact CE2-CG1 4.48Å; Y17-V25 HydrophobicContact CG-CG1 4.26Å; Y17-N26 WeakPolarHBondContact CE1-OD1 3.37Å; Y17-N26 PolarHBondContact OH-OD1 2.99Å
18N96.9Very high98.4Very high161 Ų16160.3 Ų60.386%0.86128%0.283SS*.THydrogen-bonded Turntrans63.36.8-174.5-41.6-58.9000114.7
19K97.8Very high98.4Very high145 Ų14560.8 Ų60.863%0.6329%0.287SS*.THydrogen-bonded Turntrans-115.2-48.5173.2-58.8-63-174.5173.60111.3L16 Y17 N85L16-K19 PolarHBondContact O-N 3.41Å; Y17-K19 PolarHBondContact O-N 3.35Å; Y17-K19 VanDerWaalsContact O-N 3.13Å; K19-N85 VanDerWaalsContact CB-OD1 3.26Å; K19-N85 WeakPolarHBondContact CB-OD1 3.5Å; K19-N85 VanDerWaalsContact CG-OD1 3.26Å; K19-N85 WeakPolarHBondContact CG-OD1 3.26Å
20L98.3Very high98.4Very high18 Ų1866.2 Ų66.29%0.09431%0.313CS..SBendtrans-108161.7-179.5-55-176.8000111.4L16 R22 V25 L77 D81 V82L16-L20 HydrophobicContact CB-CD1 4.3Å; L16-L20 HydrophobicContact CD2-CD1 4.01Å; L16-L20 PolarHBondContact O-N 3.47Å; L20-R22 PolarHBondContact O-N 2.72Å; L20-R22 VanDerWaalsContact O-N 3.09Å; L20-V25 HydrophobicContact CB-CG2 3.7Å; L20-L77 HydrophobicContact CB-CD2 4.17Å; L20-L77 HydrophobicContact CD1-CD1 4.08Å; L20-L77 HydrophobicContact CD1-CD2 4.22Å; L20-D81 HydrophobicContact CD2-CB 3.94Å; L20-V82 HydrophobicContact CD1-CG2 3.89Å
21P98.5Very high98.4Very high82 Ų8263.5 Ų63.553%0.53230%0.296SS..  trans-59.5115.5-176.9-24.634.6000112.1R23 R24 V25P21-R23 VanDerWaalsContact C-N 3.27Å; P21-R23 PolarHBondContact O-N 3.24Å; P21-R24 HydrophobicContact CB-CB 4.28Å; P21-R24 HydrophobicContact CB-CG 4.08Å; P21-R24 WeakPolarHBondContact O-CA 3.34Å; P21-R24 WeakPolarHBondContact O-CB 3.5Å; P21-R24 PolarHBondContact O-N 3.47Å; P21-V25 PolarHBondContact O-N 3.23Å
22R98.4Very high98.4Very high163 Ų16362.3 Ų62.362%0.61529%0.291SS*.Hα-helixtrans-46.6-44.5-172.2-178.4175.8176.376.51.9114.1Y17 L20 R24 V25 N26Y17-R22 HydrophobicContact CD1-CG 4.36Å; Y17-R22 HydrophobicContact CE1-CG 4.11Å; L20-R22 PolarHBondContact O-N 2.72Å; L20-R22 VanDerWaalsContact O-N 3.09Å; R22-R24 VanDerWaalsContact C-N 3.28Å; R22-R24 PolarHBondContact O-N 3.26Å; R22-V25 PolarHBondContact O-N 2.96Å; R22-N26 PolarHBondContact O-N 3.32Å; R22-N26 PolarHBondContact O-OD1 3.38Å
23R98.6Very high98.4Very high169 Ų16964 Ų6464%0.63830%0.299SS*.Hα-helixtrans-64-32179.8-154.2-166.177.378.22.7113P21 I27P21-R23 VanDerWaalsContact C-N 3.27Å; P21-R23 PolarHBondContact O-N 3.24Å; R23-I27 WeakPolarHBondContact O-CD1 3.41Å; R23-I27 WeakPolarHBondContact O-CG1 3.3Å; R23-I27 PolarHBondContact O-N 2.98Å
24R98.6Very high98.5Very high101 Ų10168 Ų6838%0.38131%0.313SS..Hα-helixtrans-75.7-41175.1-65.4-80.1-173.9-171.46.8111P21 R22 N26 I27 F28 S75 L77P21-R24 HydrophobicContact CB-CB 4.28Å; P21-R24 HydrophobicContact CB-CG 4.08Å; P21-R24 WeakPolarHBondContact O-CA 3.34Å; P21-R24 WeakPolarHBondContact O-CB 3.5Å; P21-R24 PolarHBondContact O-N 3.47Å; R22-R24 VanDerWaalsContact C-N 3.28Å; R22-R24 PolarHBondContact O-N 3.26Å; R24-N26 VanDerWaalsContact C-N 3.3Å; R24-N26 PolarHBondContact O-N 3.5Å; R24-I27 PolarHBondContact O-N 3.19Å; R24-F28 PolarHBondContact O-N 2.82Å; R24-S75 WeakPolarHBondContact CD-O 3.46Å; R24-S75 PolarHBondContact NH1-O 2.93Å; R24-L77 HydrophobicContact CB-CD1 4.49Å; R24-L77 HydrophobicContact CB-CD2 3.55Å; R24-L77 HydrophobicContact CB-CG 3.96Å; R24-L77 HydrophobicContact CG-CD2 4.28Å
25V98.8Very high98.5Very high0 Ų066.1 Ų66.10%030%0.298CS..Hα-helixtrans-60.8-38174.8179.70000111.9I13 L16 Y17 L20 P21 R22 F28 G29I13-V25 HydrophobicContact CB-CG1 4.12Å; L16-V25 HydrophobicContact CB-CG1 3.91Å; L16-V25 HydrophobicContact CB-CG2 4.02Å; Y17-V25 HydrophobicContact CD1-CB 4.21Å; Y17-V25 HydrophobicContact CD1-CG1 3.78Å; Y17-V25 HydrophobicContact CE1-CB 4.03Å; Y17-V25 HydrophobicContact CE1-CG1 3.62Å; Y17-V25 HydrophobicContact CE2-CG1 4.48Å; Y17-V25 HydrophobicContact CG-CG1 4.26Å; L20-V25 HydrophobicContact CB-CG2 3.7Å; P21-V25 PolarHBondContact O-N 3.23Å; R22-V25 PolarHBondContact O-N 2.96Å; V25-F28 WeakPolarHBondContact O-CB 3.4Å; V25-F28 PolarHBondContact O-N 3.35Å; V25-G29 PolarHBondContact O-N 3.41Å
26N98.6Very high98.5Very high57 Ų5762.8 Ų62.831%0.30528%0.284SS..Hα-helixtrans-60.7-50173.3-70.421000111.7Y17 R22 R24 F28 G29 E30Y17-N26 WeakPolarHBondContact CE1-OD1 3.37Å; Y17-N26 PolarHBondContact OH-OD1 2.99Å; R22-N26 PolarHBondContact O-N 3.32Å; R22-N26 PolarHBondContact O-OD1 3.38Å; R24-N26 VanDerWaalsContact C-N 3.3Å; R24-N26 PolarHBondContact O-N 3.5Å; N26-F28 VanDerWaalsContact C-N 3.3Å; N26-F28 PolarHBondContact O-N 2.88Å; N26-G29 PolarHBondContact O-N 3.08Å; N26-G29 VanDerWaalsContact O-N 3.11Å; N26-E30 WeakPolarHBondContact O-CG 3.43Å; N26-E30 PolarHBondContact O-N 3.48Å
27I98.8Very high98.5Very high32 Ų3265.7 Ų65.716%0.16430%0.297CS..Hα-helixtrans-60.8-40.8177-61.9160.8000110.6R23 R24 G29 E30 E31R23-I27 WeakPolarHBondContact O-CD1 3.41Å; R23-I27 WeakPolarHBondContact O-CG1 3.3Å; R23-I27 PolarHBondContact O-N 2.98Å; R24-I27 PolarHBondContact O-N 3.19Å; I27-G29 VanDerWaalsContact C-N 3.29Å; I27-G29 PolarHBondContact O-N 3.37Å; I27-E30 PolarHBondContact O-N 3.33Å; I27-E31 HydrophobicContact CG2-CG 4.03Å; I27-E31 WeakPolarHBondContact O-CG 3.45Å; I27-E31 PolarHBondContact O-N 3.49Å
28F98.9Very high98.5Very high0 Ų071 Ų710%032%0.321CS..Hα-helixtrans-56.8-43.3174.8175.9-87.5000111.6I12 I13 L16 R24 V25 N26 L32 I68 A71 S72 L77 V82I12-F28 HydrophobicContact CG2-CE1 4.41Å; I13-F28 HydrophobicContact CG2-CD1 4.03Å; I13-F28 HydrophobicContact CG2-CE1 4.31Å; L16-F28 HydrophobicContact CD1-CD1 3.82Å; L16-F28 HydrophobicContact CD1-CE1 3.75Å; L16-F28 HydrophobicContact CD1-CG 4.43Å; L16-F28 HydrophobicContact CD1-CZ 4.29Å; R24-F28 PolarHBondContact O-N 2.82Å; V25-F28 WeakPolarHBondContact O-CB 3.4Å; V25-F28 PolarHBondContact O-N 3.35Å; N26-F28 VanDerWaalsContact C-N 3.3Å; N26-F28 PolarHBondContact O-N 2.88Å; F28-L32 HydrophobicContact CE1-CD2 3.73Å; F28-L32 HydrophobicContact CZ-CD2 4.05Å; F28-L32 WeakPolarHBondContact O-CB 3.37Å; F28-L32 PolarHBondContact O-N 2.87Å; F28-I68 HydrophobicContact CZ-CD1 4.13Å; F28-I68 HydrophobicContact CZ-CG2 4.28Å; F28-A71 HydrophobicContact CD2-CB 3.75Å; F28-A71 HydrophobicContact CE2-CB 3.62Å; F28-A71 HydrophobicContact CG-CB 4.44Å; F28-A71 HydrophobicContact CZ-CB 4.23Å; F28-S72 WeakPolarHBondContact CE2-OG 3.33Å; F28-L77 HydrophobicContact CB-CD1 3.94Å; F28-L77 HydrophobicContact CD2-CD1 4.21Å; F28-L77 HydrophobicContact CG-CD1 4.22Å; F28-V82 HydrophobicContact CE2-CG1 4.18Å; F28-V82 HydrophobicContact CE2-CG2 4.48Å; F28-V82 HydrophobicContact CZ-CG1 4.16Å
29G98.6Very high98.6Very high9 Ų965.1 Ų65.19%0.09329%0.288CS..Hα-helixtrans-63.9-43.6174.800000113.3V25 N26 I27 E33V25-G29 PolarHBondContact O-N 3.41Å; N26-G29 PolarHBondContact O-N 3.08Å; N26-G29 VanDerWaalsContact O-N 3.11Å; I27-G29 VanDerWaalsContact C-N 3.29Å; I27-G29 PolarHBondContact O-N 3.37Å; G29-E33 WeakPolarHBondContact O-CB 3.39Å; G29-E33 PolarHBondContact O-N 2.94Å
30E98.8Very high98.6Very high119 Ų11958.2 Ų58.256%0.55626%0.258SS*.Hα-helixtrans-62.4-45.5177.5-69.9164.5-16300111.9N26 I27 E33 R34N26-E30 WeakPolarHBondContact O-CG 3.43Å; N26-E30 PolarHBondContact O-N 3.48Å; I27-E30 PolarHBondContact O-N 3.33Å; E30-E33 PolarHBondContact O-N 3.05Å; E30-R34 PolarHBondContact O-N 3.33Å; E30-R34 VanDerWaalsContact O-N 3.13Å
31E98.8Very high98.6Very high48 Ų4864 Ų6422%0.22428%0.284CS..Hα-helixtrans-71.4-41.1178.6-64.1-61.2174.800112I27 E33 R34 L35 A71 E74I27-E31 HydrophobicContact CG2-CG 4.03Å; I27-E31 WeakPolarHBondContact O-CG 3.45Å; I27-E31 PolarHBondContact O-N 3.49Å; E31-E33 VanDerWaalsContact C-N 3.31Å; E31-E33 PolarHBondContact O-N 3.41Å; E31-R34 PolarHBondContact O-N 3.37Å; E31-R34 IonicContact OE2-CZ 2.7Å; E31-R34 IonicContact OE2-NE 3.96Å; E31-R34 PolarHBondContact OE2-NE 3.44Å; E31-R34 IonicContact OE2-NH2 3.76Å; E31-R34 PolarHBondContact OE2-NH2 3Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CG 3.33Å; E31-L35 PolarHBondContact O-N 3.4Å; E31-A71 HydrophobicContact CB-CB 4.43Å; E31-E74 HydrophobicContact CB-CB 4.37Å; E31-E74 HydrophobicContact CG-CB 3.91Å
32L98.8Very high98.6Very high0 Ų062.6 Ų62.60%029%0.285CS..Hα-helixtrans-62.3-38.6174.6-174.857.9000111.4L9 I12 F28 L35 L36 V67 I68 A71L9-L32 HydrophobicContact CD2-CB 3.77Å; L9-L32 HydrophobicContact CD2-CD2 3.68Å; L9-L32 HydrophobicContact CD2-CG 3.58Å; I12-L32 HydrophobicContact CD1-CD2 4.48Å; I12-L32 HydrophobicContact CG2-CD2 4.44Å; F28-L32 HydrophobicContact CE1-CD2 3.73Å; F28-L32 HydrophobicContact CZ-CD2 4.05Å; F28-L32 WeakPolarHBondContact O-CB 3.37Å; F28-L32 PolarHBondContact O-N 2.87Å; L32-L35 PolarHBondContact O-N 3.13Å; L32-L36 HydrophobicContact CD1-CD1 4.16Å; L32-L36 HydrophobicContact CD1-CG 4.09Å; L32-L36 HydrophobicContact CG-CD1 3.99Å; L32-L36 HydrophobicContact CG-CG 4.37Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 2.87Å; L32-V67 HydrophobicContact CD1-CB 3.96Å; L32-V67 HydrophobicContact CD1-CG2 3.57Å; L32-I68 HydrophobicContact CD1-CD1 3.87Å; L32-I68 HydrophobicContact CD2-CD1 3.7Å; L32-I68 HydrophobicContact CG-CD1 4.48Å; L32-A71 HydrophobicContact CB-CB 3.92Å; L32-A71 HydrophobicContact CD1-CB 4.4Å
33E98.8Very high98.6Very high35 Ų3558.4 Ų58.416%0.16427%0.273CS..Hα-helixtrans-58.5-50172.5-171.8178.2179.500111.7I5 Q6 L9 G29 E30 E31 L35 L36 K37I5-E33 HydrophobicContact CG2-CG 4.09Å; Q6-E33 PolarHBondContact NE2-OE1 3.01Å; Q6-E33 PolarHBondContact NE2-OE2 3.11Å; L9-E33 HydrophobicContact CD1-CB 3.5Å; L9-E33 HydrophobicContact CD1-CG 3.78Å; G29-E33 WeakPolarHBondContact O-CB 3.39Å; G29-E33 PolarHBondContact O-N 2.94Å; E30-E33 PolarHBondContact O-N 3.05Å; E31-E33 VanDerWaalsContact C-N 3.31Å; E31-E33 PolarHBondContact O-N 3.41Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.06Å; E33-L36 PolarHBondContact O-N 3.2Å; E33-K37 HydrophobicContact CG-CD 4.14Å; E33-K37 WeakPolarHBondContact O-CB 3.35Å; E33-K37 WeakPolarHBondContact O-CG 3.3Å; E33-K37 PolarHBondContact O-N 3Å; E33-K37 VanDerWaalsContact OE1-CE 3.22Å; E33-K37 WeakPolarHBondContact OE1-CE 3.11Å; E33-K37 IonicContact OE1-NZ 2.72Å; E33-K37 PolarHBondContact OE1-NZ 3.37Å
34R98.8Very high98.6Very high104 Ų10452.6 Ų52.639%0.39225%0.25SS..Hα-helixtrans-61.8-43.1-179.7-176.2-173.960.271.7-0.3111.5E30 E31 K38 E74E30-R34 PolarHBondContact O-N 3.33Å; E30-R34 VanDerWaalsContact O-N 3.13Å; E31-R34 PolarHBondContact O-N 3.37Å; E31-R34 IonicContact OE2-CZ 2.7Å; E31-R34 IonicContact OE2-NE 3.96Å; E31-R34 PolarHBondContact OE2-NE 3.44Å; E31-R34 IonicContact OE2-NH2 3.76Å; E31-R34 PolarHBondContact OE2-NH2 3Å; R34-K38 WeakPolarHBondContact O-CB 3.28Å; R34-K38 PolarHBondContact O-N 3.03Å; R34-K38 VanDerWaalsContact O-N 3.1Å; R34-E74 IonicContact CZ-OE2 2.64Å; R34-E74 IonicContact NH2-OE1 2.69Å; R34-E74 PolarHBondContact NH2-OE1 2.72Å; R34-E74 VanDerWaalsContact NH2-OE1 3.08Å; R34-E74 IonicContact NH2-OE2 3.13Å; R34-E74 PolarHBondContact NH2-OE2 2.95Å
35L98.8Very high98.5Very high23 Ų2350.5 Ų50.512%0.1224%0.243CC..Hα-helixtrans-67.2-42.4178.8-70.3166.9000111.8E31 L32 E33 K38 K39 V67 Q70 A71E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CG 3.33Å; E31-L35 PolarHBondContact O-N 3.4Å; L32-L35 PolarHBondContact O-N 3.13Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.06Å; L35-K38 PolarHBondContact O-N 2.86Å; L35-K39 WeakPolarHBondContact O-CB 3.13Å; L35-K39 PolarHBondContact O-N 3.37Å; L35-V67 HydrophobicContact CB-CB 4.14Å; L35-V67 HydrophobicContact CB-CG1 4.15Å; L35-Q70 HydrophobicContact CD1-CB 3.9Å; L35-Q70 HydrophobicContact CD1-CG 3.84Å; L35-Q70 HydrophobicContact CD2-CG 4.06Å; L35-A71 HydrophobicContact CD1-CB 4.1Å
36L98.8Very high98.4Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-65.4-45.6176.9-72.4172.6000112.2I5 L9 L32 E33 K38 K39 Y40 I58 V67 I94I5-L36 HydrophobicContact CD1-CB 4.26Å; I5-L36 HydrophobicContact CG2-CB 4.4Å; I5-L36 HydrophobicContact CG2-CD1 4.27Å; L9-L36 HydrophobicContact CD2-CD1 4.27Å; L32-L36 HydrophobicContact CD1-CD1 4.16Å; L32-L36 HydrophobicContact CD1-CG 4.09Å; L32-L36 HydrophobicContact CG-CD1 3.99Å; L32-L36 HydrophobicContact CG-CG 4.37Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 2.87Å; E33-L36 PolarHBondContact O-N 3.2Å; L36-K38 VanDerWaalsContact C-N 3.29Å; L36-K38 PolarHBondContact O-N 3.21Å; L36-K39 PolarHBondContact O-N 2.75Å; L36-K39 VanDerWaalsContact O-N 3.15Å; L36-Y40 HydrophobicContact CD2-CE1 4.08Å; L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 VanDerWaalsContact O-CG 3.29Å; L36-Y40 PolarHBondContact O-N 3.49Å; L36-I58 HydrophobicContact CD1-CD1 3.83Å; L36-I58 HydrophobicContact CD2-CD1 3.64Å; L36-I58 HydrophobicContact CD2-CG1 3.96Å; L36-I58 HydrophobicContact CG-CD1 4.37Å; L36-V67 HydrophobicContact CD2-CG2 3.92Å; L36-I94 HydrophobicContact CD1-CD1 4.3Å
37K98.6Very high98.3Very high62 Ų6257.7 Ų57.727%0.2728%0.279SS..Hα-helixtrans-54.5-46.8172.9-75.3172.1172.8173.10111.1Q2 I5 E33 Y40 E41Q2-K37 VanDerWaalsContact NE2-NZ 3.11Å; I5-K37 HydrophobicContact CD1-CG 3.89Å; E33-K37 HydrophobicContact CG-CD 4.14Å; E33-K37 WeakPolarHBondContact O-CB 3.35Å; E33-K37 WeakPolarHBondContact O-CG 3.3Å; E33-K37 PolarHBondContact O-N 3Å; E33-K37 VanDerWaalsContact OE1-CE 3.22Å; E33-K37 WeakPolarHBondContact OE1-CE 3.11Å; E33-K37 IonicContact OE1-NZ 2.72Å; E33-K37 PolarHBondContact OE1-NZ 3.37Å; K37-Y40 PolarHBondContact O-N 3.36Å; K37-E41 PolarHBondContact O-N 3.49Å; K37-E41 VanDerWaalsContact O-N 3.15Å
38K98.6Very high98.2Very high162 Ų16263.1 Ų63.170%0.70430%0.301SS*.Hα-helixtrans-66.1-38.1176.9-173.7-179.9177-175.70113.2R34 L35 L36R34-K38 WeakPolarHBondContact O-CB 3.28Å; R34-K38 PolarHBondContact O-N 3.03Å; R34-K38 VanDerWaalsContact O-N 3.1Å; L35-K38 PolarHBondContact O-N 2.86Å; L36-K38 VanDerWaalsContact C-N 3.29Å; L36-K38 PolarHBondContact O-N 3.21Å
39K98.4Very high98.1Very high39 Ų3964.7 Ų64.717%0.1731%0.311CS..Hα-helixtrans-64.4-40.6176.6-175.4-178.3175.2-1680110.7L35 L36 F55 C57 D65 V67L35-K39 WeakPolarHBondContact O-CB 3.13Å; L35-K39 PolarHBondContact O-N 3.37Å; L36-K39 PolarHBondContact O-N 2.75Å; L36-K39 VanDerWaalsContact O-N 3.15Å; K39-F55 WeakPolarHBondContact CE-O 3.45Å; K39-F55 HydrophobicContact CG-CE1 4.17Å; K39-F55 HydrophobicContact CG-CZ 3.97Å; K39-F55 PolarHBondContact NZ-O 2.97Å; K39-F55 VanDerWaalsContact NZ-O 3.16Å; K39-F55 WeakPolarHBondContact O-CE1 3.38Å; K39-F55 VanDerWaalsContact O-CZ 3.3Å; K39-F55 WeakPolarHBondContact O-CZ 3.36Å; K39-C57 PolarHBondContact NZ-O 3.45Å; K39-D65 IonicContact NZ-OD1 3.08Å; K39-D65 IonicContact NZ-OD2 2.71Å; K39-D65 PolarHBondContact NZ-OD2 2.97Å; K39-V67 HydrophobicContact CD-CG1 3.88Å
40Y98.6Very high98Very high0 Ų072.6 Ų72.60%034%0.34CS..Hα-helixtrans-88.7-12.1-171.7-62.8-3.2000114.3M1 I5 L36 K37 G42 H43 W44 R56 I94M1-Y40 HydrophobicContact CG-CD2 4.47Å; M1-Y40 HydrophobicContact SD-CD2 4.34Å; I5-Y40 HydrophobicContact CD1-CD2 3.97Å; I5-Y40 HydrophobicContact CD1-CE2 4.29Å; I5-Y40 HydrophobicContact CG1-CD2 4.22Å; I5-Y40 HydrophobicContact CG1-CE2 4.08Å; L36-Y40 HydrophobicContact CD2-CE1 4.08Å; L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 VanDerWaalsContact O-CG 3.29Å; L36-Y40 PolarHBondContact O-N 3.49Å; K37-Y40 PolarHBondContact O-N 3.36Å; Y40-G42 PolarHBondContact O-N 3.43Å; Y40-H43 CarbonylContact O-C 3.43Å; Y40-H43 WeakPolarHBondContact O-CA 3.42Å; Y40-H43 PolarHBondContact O-N 3.37Å; Y40-W44 HydrophobicContact CD2-CE3 4.16Å; Y40-W44 HydrophobicContact CD2-CZ3 4.06Å; Y40-W44 HydrophobicContact CE2-CZ3 4.4Å; Y40-W44 PolarHBondContact O-N 3.46Å; Y40-R56 HydrophobicContact CD1-CB 4.03Å; Y40-R56 HydrophobicContact CD1-CG 3.62Å; Y40-R56 HydrophobicContact CD2-CG 4.47Å; Y40-R56 VanDerWaalsContact CE1-CA 3.46Å; Y40-R56 HydrophobicContact CE1-CB 3.52Å; Y40-R56 HydrophobicContact CE1-CG 3.68Å; Y40-R56 VanDerWaalsContact CE1-O 3.3Å; Y40-R56 WeakPolarHBondContact CE1-O 3.21Å; Y40-R56 HydrophobicContact CE2-CB 4.39Å; Y40-R56 HydrophobicContact CG-CG 4.05Å; Y40-R56 PolarHBondContact OH-O 3.16Å; Y40-I94 HydrophobicContact CE2-CB 3.86Å; Y40-I94 HydrophobicContact CE2-CD1 4.15Å; Y40-I94 HydrophobicContact CE2-CG2 3.98Å; Y40-I94 WeakPolarHBondContact OH-CD1 3.25Å
41E97.9Very high98Very high138 Ų13872 Ų7265%0.64534%0.335SS*.THydrogen-bonded Turntrans-53.7130.3174.7-165.955.9-128.100111.1K37 H43K37-E41 PolarHBondContact O-N 3.49Å; K37-E41 VanDerWaalsContact O-N 3.15Å; E41-H43 PolarHBondContact O-N 3.02Å; E41-H43 VanDerWaalsContact O-N 3.12Å; E41-H43 PolarHBondContact O-ND1 3.42Å
42G97.5Very high98Very high53 Ų5371 Ų7155%0.54634%0.338SS..THydrogen-bonded Turntrans69.2-4.6-172.300000116.4Y40 Y45Y40-G42 PolarHBondContact O-N 3.43Å; G42-Y45 PolarHBondContact O-OH 3.19Å
43H98.4Very high97.9Very high76 Ų7671.8 Ų71.835%0.35234%0.344SS..  trans-118.619.9-175.8-61.582.5000113Y40 E41 F55 R56Y40-H43 CarbonylContact O-C 3.43Å; Y40-H43 WeakPolarHBondContact O-CA 3.42Å; Y40-H43 PolarHBondContact O-N 3.37Å; E41-H43 PolarHBondContact O-N 3.02Å; E41-H43 VanDerWaalsContact O-N 3.12Å; E41-H43 PolarHBondContact O-ND1 3.42Å; H43-F55 HydrophobicContact CB-CD1 3.9Å; H43-F55 HydrophobicContact CB-CE1 3.6Å; H43-F55 AromaticContact CD2-CD1 3.92Å; H43-F55 AromaticContact CD2-CE1 3.68Å; H43-F55 AromaticContact CG-CD1 3.96Å; H43-F55 AromaticContact CG-CE1 3.45Å; H43-F55 VanDerWaalsContact CG-CE1 3.45Å; H43-F55 AromaticContact ND1-CE1 3.93Å; H43-R56 PolarHBondContact O-NH1 2.78Å
44W98.5Very high97.9Very high46 Ų4673.3 Ų73.317%0.17437%0.369CS..  trans-111.9122.8176.4-165.2-93.7000109.8M1 E4 Y40 I94 D95 P96M1-W44 HydrophobicContact CB-CD2 3.72Å; M1-W44 HydrophobicContact CB-CE3 4.13Å; M1-W44 HydrophobicContact CB-CG 4.19Å; M1-W44 HydrophobicContact CB-CH2 4.19Å; M1-W44 HydrophobicContact CB-CZ2 3.76Å; M1-W44 HydrophobicContact CB-CZ3 4.36Å; M1-W44 HydrophobicContact CG-CD2 3.7Å; M1-W44 HydrophobicContact CG-CE3 3.62Å; M1-W44 HydrophobicContact CG-CG 4.33Å; M1-W44 HydrophobicContact CG-CH2 4.12Å; M1-W44 HydrophobicContact CG-CZ2 4.17Å; M1-W44 HydrophobicContact CG-CZ3 3.85Å; M1-W44 HydrophobicContact SD-CB 4.12Å; M1-W44 HydrophobicContact SD-CD2 3.88Å; M1-W44 HydrophobicContact SD-CE3 3.84Å; M1-W44 HydrophobicContact SD-CG 4.02Å; E4-W44 HydrophobicContact CB-CH2 4.21Å; E4-W44 HydrophobicContact CG-CH2 4.38Å; E4-W44 HydrophobicContact CG-CZ2 4.49Å; E4-W44 VanDerWaalsContact OE1-CZ2 3.29Å; E4-W44 WeakPolarHBondContact OE1-CZ2 3.32Å; Y40-W44 HydrophobicContact CD2-CE3 4.16Å; Y40-W44 HydrophobicContact CD2-CZ3 4.06Å; Y40-W44 HydrophobicContact CE2-CZ3 4.4Å; Y40-W44 PolarHBondContact O-N 3.46Å; W44-I94 HydrophobicContact CH2-CG2 4.22Å; W44-I94 HydrophobicContact CZ3-CG2 4.22Å; W44-I94 WeakPolarHBondContact CZ3-O 3.24Å; W44-D95 WeakPolarHBondContact CH2-O 3.08Å; W44-P96 HydrophobicContact CD2-CG 4.11Å; W44-P96 HydrophobicContact CH2-CG 4.44Å; W44-P96 VanDerWaalsContact CZ2-CA 3.46Å; W44-P96 HydrophobicContact CZ2-CB 4.05Å; W44-P96 HydrophobicContact CZ2-CG 3.85Å
45Y97.5Very high97.9Very high58 Ų5872.6 Ų72.623%0.22737%0.369CS..  trans-135.185.8-173.1-48.9-71.7000110.9G42 E47 K48 K51G42-Y45 PolarHBondContact O-OH 3.19Å; Y45-E47 PolarHBondContact O-N 3.08Å; Y45-K48 CarbonylContact O-C 3.05Å; Y45-K48 PolarHBondContact O-N 3.35Å; Y45-K51 HydrophobicContact CD1-CD 4.32Å; Y45-K51 HydrophobicContact CD2-CB 3.79Å; Y45-K51 HydrophobicContact CD2-CD 3.49Å; Y45-K51 VanDerWaalsContact CD2-CD 3.49Å; Y45-K51 HydrophobicContact CD2-CG 3.62Å; Y45-K51 WeakPolarHBondContact CD2-O 3.42Å; Y45-K51 HydrophobicContact CE2-CB 4.45Å; Y45-K51 HydrophobicContact CE2-CD 3.67Å; Y45-K51 HydrophobicContact CE2-CG 3.81Å; Y45-K51 HydrophobicContact CG-CB 4.44Å; Y45-K51 HydrophobicContact CG-CD 3.83Å; Y45-K51 HydrophobicContact CG-CG 4.38Å
46P96.3Very high97.9Very high47 Ų4771.5 Ų71.531%0.30536%0.363SS..THydrogen-bonded Turntrans-53.8-38.4-178.5-26.236.1000113.6K48 P49 F97P46-K48 PolarHBondContact O-N 3.36Å; P46-P49 WeakPolarHBondContact O-CD 3.33Å; P46-P49 WeakPolarHBondContact O-CG 3.46Å; P46-F97 HydrophobicContact CB-CE2 4.26Å; P46-F97 HydrophobicContact CB-CZ 4Å; P46-F97 WeakPolarHBondContact O-CE2 3.49Å
47E96.3Very high97.9Very high161 Ų16172.4 Ų72.475%0.75237%0.369SS*.THydrogen-bonded Turntrans-72.7-13.4-178.4-48.875.6-167.900112.9Y45Y45-E47 PolarHBondContact O-N 3.08Å
48K97.2Very high97.9Very high145 Ų14569.5 Ų69.563%0.6336%0.357SS*.SBendtrans-143.770.5177.4-63.9-173.5-179.3-179.20109.5Y45 P46 Y50 K51Y45-K48 CarbonylContact O-C 3.05Å; Y45-K48 PolarHBondContact O-N 3.35Å; P46-K48 PolarHBondContact O-N 3.36Å; K48-Y50 VanDerWaalsContact C-N 3.31Å; K48-Y50 PolarHBondContact O-N 2.83Å; K48-Y50 VanDerWaalsContact O-N 3.14Å; K48-K51 HydrophobicContact CB-CB 4Å; K48-K51 WeakPolarHBondContact O-CB 3.38Å; K48-K51 PolarHBondContact O-N 2.8Å
49P96.8Very high97.9Very high33 Ų3365.6 Ų65.621%0.21434%0.34CS..THydrogen-bonded Turntrans-51.3-46.8-167.2-30.236.4000114P46 K51 R56 P96 F97P46-P49 WeakPolarHBondContact O-CD 3.33Å; P46-P49 WeakPolarHBondContact O-CG 3.46Å; P49-K51 PolarHBondContact O-N 3.06Å; P49-R56 PolarHBondContact O-NH2 2.92Å; P49-P96 HydrophobicContact CB-CB 4.02Å; P49-P96 HydrophobicContact CB-CG 4.19Å; P49-P96 HydrophobicContact CG-CB 4.22Å; P49-F97 HydrophobicContact CG-CD2 4.09Å; P49-F97 HydrophobicContact CG-CE2 4.28Å
50Y96.9Very high97.8Very high176 Ų17664 Ų6469%0.6933%0.334SS*.THydrogen-bonded Turntrans-68.4-13.5-179-51.8-62.9000114.7K48 G52 S53K48-Y50 VanDerWaalsContact C-N 3.31Å; K48-Y50 PolarHBondContact O-N 2.83Å; K48-Y50 VanDerWaalsContact O-N 3.14Å; Y50-G52 PolarHBondContact O-N 2.91Å; Y50-G52 VanDerWaalsContact O-N 3.17Å; Y50-S53 VanDerWaalsContact O-CB 3.3Å; Y50-S53 WeakPolarHBondContact O-CB 3.4Å; Y50-S53 PolarHBondContact O-N 2.97Å; Y50-S53 VanDerWaalsContact O-N 3.1Å
51K97.9Very high97.6Very high105 Ų10564.1 Ų64.146%0.45734%0.335SS..THydrogen-bonded Turntrans-64.4119.4175.3-176.6-173.6166.6-153.70108.6Y45 K48 P49 S53 R56Y45-K51 HydrophobicContact CD1-CD 4.32Å; Y45-K51 HydrophobicContact CD2-CB 3.79Å; Y45-K51 HydrophobicContact CD2-CD 3.49Å; Y45-K51 VanDerWaalsContact CD2-CD 3.49Å; Y45-K51 HydrophobicContact CD2-CG 3.62Å; Y45-K51 WeakPolarHBondContact CD2-O 3.42Å; Y45-K51 HydrophobicContact CE2-CB 4.45Å; Y45-K51 HydrophobicContact CE2-CD 3.67Å; Y45-K51 HydrophobicContact CE2-CG 3.81Å; Y45-K51 HydrophobicContact CG-CB 4.44Å; Y45-K51 HydrophobicContact CG-CD 3.83Å; Y45-K51 HydrophobicContact CG-CG 4.38Å; K48-K51 HydrophobicContact CB-CB 4Å; K48-K51 WeakPolarHBondContact O-CB 3.38Å; K48-K51 PolarHBondContact O-N 2.8Å; P49-K51 PolarHBondContact O-N 3.06Å; K51-S53 VanDerWaalsContact C-N 3.29Å; K51-S53 PolarHBondContact O-N 2.83Å; K51-R56 PolarHBondContact O-NH1 2.83Å
52G97.9Very high97.3Very high28 Ų2865.4 Ų65.429%0.28934%0.341SS..THydrogen-bonded Turntrans77.66.3-177.900000115.1Y50 G54 F55 R56Y50-G52 PolarHBondContact O-N 2.91Å; Y50-G52 VanDerWaalsContact O-N 3.17Å; G52-G54 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 2.81Å; G52-F55 WeakPolarHBondContact O-CA 3.45Å; G52-F55 WeakPolarHBondContact O-CB 3.45Å; G52-F55 PolarHBondContact O-N 2.86Å; G52-R56 PolarHBondContact O-N 2.85Å
53S98.3Very high97.1Very high16 Ų1670.6 Ų70.611%0.11235%0.349CS..Hα-helixtrans-53-46.7178.3177.30000112.5Y50 K51 F55 R56 C57 D95Y50-S53 VanDerWaalsContact O-CB 3.3Å; Y50-S53 WeakPolarHBondContact O-CB 3.4Å; Y50-S53 PolarHBondContact O-N 2.97Å; Y50-S53 VanDerWaalsContact O-N 3.1Å; K51-S53 VanDerWaalsContact C-N 3.29Å; K51-S53 PolarHBondContact O-N 2.83Å; S53-F55 VanDerWaalsContact C-N 3.29Å; S53-F55 PolarHBondContact O-N 2.9Å; S53-R56 PolarHBondContact O-N 2.81Å; S53-R56 VanDerWaalsContact O-N 3.11Å; S53-C57 PolarHBondContact O-N 3.02Å; S53-D95 WeakPolarHBondContact CA-OD1 3.39Å; S53-D95 WeakPolarHBondContact CB-OD1 3.22Å; S53-D95 WeakPolarHBondContact CB-OD2 3.34Å; S53-D95 VanDerWaalsContact OG-CG 3.32Å; S53-D95 PolarHBondContact OG-OD1 3.23Å; S53-D95 PolarHBondContact OG-OD2 3.2Å
54G98Very high97Very high67 Ų6767.9 Ų67.969%0.69134%0.338SS*.Hα-helixtrans-65-24.5175.600000115.3G52G52-G54 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 2.81Å
55F98.5Very high97Very high90 Ų9066.7 Ų66.740%0.39533%0.334SS..Hα-helixtrans-78.5-37.4171.7163.2-92.7000111.3K39 H43 G52 S53K39-F55 WeakPolarHBondContact CE-O 3.45Å; K39-F55 HydrophobicContact CG-CE1 4.17Å; K39-F55 HydrophobicContact CG-CZ 3.97Å; K39-F55 PolarHBondContact NZ-O 2.97Å; K39-F55 VanDerWaalsContact NZ-O 3.16Å; K39-F55 WeakPolarHBondContact O-CE1 3.38Å; K39-F55 VanDerWaalsContact O-CZ 3.3Å; K39-F55 WeakPolarHBondContact O-CZ 3.36Å; H43-F55 HydrophobicContact CB-CD1 3.9Å; H43-F55 HydrophobicContact CB-CE1 3.6Å; H43-F55 AromaticContact CD2-CD1 3.92Å; H43-F55 AromaticContact CD2-CE1 3.68Å; H43-F55 AromaticContact CG-CD1 3.96Å; H43-F55 AromaticContact CG-CE1 3.45Å; H43-F55 VanDerWaalsContact CG-CE1 3.45Å; H43-F55 AromaticContact ND1-CE1 3.93Å; G52-F55 WeakPolarHBondContact O-CA 3.45Å; G52-F55 WeakPolarHBondContact O-CB 3.45Å; G52-F55 PolarHBondContact O-N 2.86Å; S53-F55 VanDerWaalsContact C-N 3.29Å; S53-F55 PolarHBondContact O-N 2.9Å
56R98.8Very high97Very high0 Ų068.1 Ų68.10%035%0.351CS..Hα-helixtrans-73.2-33178.5-68.1-166.2-59.8-86.9-8.2112.7Y40 H43 P49 K51 G52 S53 I58 I94 D95Y40-R56 HydrophobicContact CD1-CB 4.03Å; Y40-R56 HydrophobicContact CD1-CG 3.62Å; Y40-R56 HydrophobicContact CD2-CG 4.47Å; Y40-R56 VanDerWaalsContact CE1-CA 3.46Å; Y40-R56 HydrophobicContact CE1-CB 3.52Å; Y40-R56 HydrophobicContact CE1-CG 3.68Å; Y40-R56 VanDerWaalsContact CE1-O 3.3Å; Y40-R56 WeakPolarHBondContact CE1-O 3.21Å; Y40-R56 HydrophobicContact CE2-CB 4.39Å; Y40-R56 HydrophobicContact CG-CG 4.05Å; Y40-R56 PolarHBondContact OH-O 3.16Å; H43-R56 PolarHBondContact O-NH1 2.78Å; P49-R56 PolarHBondContact O-NH2 2.92Å; K51-R56 PolarHBondContact O-NH1 2.83Å; G52-R56 PolarHBondContact O-N 2.85Å; S53-R56 PolarHBondContact O-N 2.81Å; S53-R56 VanDerWaalsContact O-N 3.11Å; R56-I58 PolarHBondContact O-N 3.4Å; R56-I94 WeakPolarHBondContact CD-O 3.38Å; R56-I94 PolarHBondContact NE-O 3.45Å; R56-D95 IonicContact CZ-OD1 3.46Å; R56-D95 IonicContact NE-OD1 3.43Å; R56-D95 PolarHBondContact NE-OD1 2.7Å; R56-D95 VanDerWaalsContact NH2-CG 3.31Å; R56-D95 IonicContact NH2-OD1 2.67Å; R56-D95 PolarHBondContact NH2-OD1 2.87Å
57C98.5Very high97.1Very high19 Ų1966.6 Ų66.613%0.12834%0.341CS..  trans-41.9134.1178.3-174.10000112.1K39 S53 V92K39-C57 PolarHBondContact NZ-O 3.45Å; S53-C57 PolarHBondContact O-N 3.02Å; C57-V92 WeakPolarHBondContact CA-O 3.41Å
58I98.6Very high97.3Very high1 Ų159 Ų591%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-103114.1172.5-52.2171.5000106.3I12 L36 R56 I60 D65 I68 S91 V92 I94I12-I58 HydrophobicContact CD1-CD1 4.03Å; L36-I58 HydrophobicContact CD1-CD1 3.83Å; L36-I58 HydrophobicContact CD2-CD1 3.64Å; L36-I58 HydrophobicContact CD2-CG1 3.96Å; L36-I58 HydrophobicContact CG-CD1 4.37Å; R56-I58 PolarHBondContact O-N 3.4Å; I58-I60 HydrophobicContact CG2-CD1 4.43Å; I58-I60 HydrophobicContact CG2-CG1 4.4Å; I58-D65 HydrophobicContact CG2-CB 4.14Å; I58-I68 HydrophobicContact CG2-CD1 4.03Å; I58-I68 HydrophobicContact CG2-CG1 3.85Å; I58-S91 CarbonylContact O-C 3.52Å; I58-S91 WeakPolarHBondContact O-CA 3.29Å; I58-V92 HydrophobicContact CB-CB 4.42Å; I58-V92 PolarHBondContact N-O 2.89Å; I58-V92 PolarHBondContact O-N 2.94Å; I58-I94 HydrophobicContact CD1-CD1 3.84Å
59H98.2Very high97.3Very high79 Ų7956.7 Ų56.737%0.36630%0.297SS..EExtended strand (participates in β ladder)trans-113.8136.8-179.1-177.472.1000111.5D65 S91H59-D65 PolarHBondContact O-N 2.85Å; H59-S91 PolarHBondContact ND1-OG 3.12Å
60I97.2Very high97.4Very high5 Ų558.4 Ų58.43%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-140.383.8-175.2-47.5-177.7000108I58 V64 I68 L86 D89 L90I58-I60 HydrophobicContact CG2-CD1 4.43Å; I58-I60 HydrophobicContact CG2-CG1 4.4Å; I60-V64 HydrophobicContact CG2-CG1 4.43Å; I60-V64 HydrophobicContact CG2-CG2 4.25Å; I60-I68 HydrophobicContact CD1-CD1 4.04Å; I60-I68 HydrophobicContact CD1-CG1 3.88Å; I60-I68 HydrophobicContact CD1-CG2 4.45Å; I60-I68 HydrophobicContact CG1-CG1 4.31Å; I60-L86 HydrophobicContact CD1-CD1 3.76Å; I60-L86 HydrophobicContact CG2-CD1 4.41Å; I60-D89 CarbonylContact O-C 3.6Å; I60-D89 VanDerWaalsContact O-CA 3.3Å; I60-D89 WeakPolarHBondContact O-CA 3.44Å; I60-D89 PolarHBondContact O-N 2.91Å; I60-L90 HydrophobicContact CB-CB 4.4Å; I60-L90 HydrophobicContact CD1-CD2 4.41Å; I60-L90 PolarHBondContact N-O 3.22Å; I60-L90 PolarHBondContact O-N 3.13Å
61G93.4Very high97.5Very high3 Ų350 Ų503%0.03127%0.269CS..SBendtrans-127.6-124.5-178.600000112K63 R83 D89G61-K63 VanDerWaalsContact C-N 3.3Å; G61-K63 PolarHBondContact N-O 3.08Å; G61-R83 PolarHBondContact O-NE 2.87Å; G61-R83 PolarHBondContact O-NH2 3.29Å; G61-D89 WeakPolarHBondContact CA-OD1 3.48Å
62E91.6Very high97.5Very high166 Ų16645.1 Ų45.178%0.77625%0.248SC*.SBendtrans-59.4-43.9165.5-171.2-170.5177.400110.9
63K94Very high97.6Very high161 Ų16151.3 Ų51.370%0.727%0.267SS*.SBendtrans-105.1146.9172.6-62.9-178.6-177.6177.80109.9G61G61-K63 VanDerWaalsContact C-N 3.3Å; G61-K63 PolarHBondContact N-O 3.08Å
64V96.9Very high97.6Very high20 Ų2053.8 Ų53.812%0.12128%0.276CS..BIsolated β-bridgetrans-107.4140.3179.4-179.20000108.8I60 I68 E69 I79 R83I60-V64 HydrophobicContact CG2-CG1 4.43Å; I60-V64 HydrophobicContact CG2-CG2 4.25Å; V64-I68 HydrophobicContact CG1-CB 3.63Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 HydrophobicContact CG1-CG2 3.59Å; V64-E69 HydrophobicContact CB-CG 4.16Å; V64-E69 HydrophobicContact CG1-CG 4.05Å; V64-I79 HydrophobicContact CG1-CD1 4.25Å; V64-R83 HydrophobicContact CG2-CG 4.39Å
65D98.1Very high97.6Very high20 Ų2050.6 Ų50.611%0.10724%0.244CC..  trans-60132.2175.7-172-53.7000110.4K39 I58 H59 V67 I68 E69K39-D65 IonicContact NZ-OD1 3.08Å; K39-D65 IonicContact NZ-OD2 2.71Å; K39-D65 PolarHBondContact NZ-OD2 2.97Å; I58-D65 HydrophobicContact CG2-CB 4.14Å; H59-D65 PolarHBondContact O-N 2.85Å; D65-V67 PolarHBondContact O-N 2.95Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.19Å; D65-V67 PolarHBondContact OD1-N 3.43Å; D65-I68 HydrophobicContact CB-CG1 4.44Å; D65-I68 WeakPolarHBondContact O-CB 3.14Å; D65-I68 PolarHBondContact O-N 3.1Å; D65-E69 PolarHBondContact O-N 3.42Å
66P98.4Very high97.6Very high89 Ų8948.3 Ų48.358%0.57825%0.245SC*.Hα-helixtrans-51.1-26.1178.7-30.636.4000115.7I68 Q70P66-I68 VanDerWaalsContact C-N 3.33Å; P66-Q70 VanDerWaalsContact O-CB 3.25Å; P66-Q70 WeakPolarHBondContact O-CB 3.42Å; P66-Q70 PolarHBondContact O-N 3.47Å
67V98.6Very high97.6Very high14 Ų1449.2 Ų49.29%0.08525%0.25CS..Hα-helixtrans-69.8-30175-57.30000112.9L32 L35 L36 K39 D65 A71L32-V67 HydrophobicContact CD1-CB 3.96Å; L32-V67 HydrophobicContact CD1-CG2 3.57Å; L35-V67 HydrophobicContact CB-CB 4.14Å; L35-V67 HydrophobicContact CB-CG1 4.15Å; L36-V67 HydrophobicContact CD2-CG2 3.92Å; K39-V67 HydrophobicContact CD-CG1 3.88Å; D65-V67 PolarHBondContact O-N 2.95Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.19Å; D65-V67 PolarHBondContact OD1-N 3.43Å; V67-A71 WeakPolarHBondContact O-CB 3.22Å; V67-A71 PolarHBondContact O-N 3.28Å
68I98.6Very high97.6Very high1 Ų152.7 Ų52.71%0.00527%0.267CS..Hα-helixtrans-75-43.5175.4-59.5-68.2000109.7F28 L32 I58 I60 V64 D65 P66 Q70 A71 S72 I79 V82F28-I68 HydrophobicContact CZ-CD1 4.13Å; F28-I68 HydrophobicContact CZ-CG2 4.28Å; L32-I68 HydrophobicContact CD1-CD1 3.87Å; L32-I68 HydrophobicContact CD2-CD1 3.7Å; L32-I68 HydrophobicContact CG-CD1 4.48Å; I58-I68 HydrophobicContact CG2-CD1 4.03Å; I58-I68 HydrophobicContact CG2-CG1 3.85Å; I60-I68 HydrophobicContact CD1-CD1 4.04Å; I60-I68 HydrophobicContact CD1-CG1 3.88Å; I60-I68 HydrophobicContact CD1-CG2 4.45Å; I60-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 HydrophobicContact CG1-CB 3.63Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 HydrophobicContact CG1-CG2 3.59Å; D65-I68 HydrophobicContact CB-CG1 4.44Å; D65-I68 WeakPolarHBondContact O-CB 3.14Å; D65-I68 PolarHBondContact O-N 3.1Å; P66-I68 VanDerWaalsContact C-N 3.33Å; I68-Q70 PolarHBondContact O-N 3.06Å; I68-A71 PolarHBondContact O-N 2.92Å; I68-S72 WeakPolarHBondContact O-CB 3.21Å; I68-S72 PolarHBondContact O-N 3.48Å; I68-S72 PolarHBondContact O-OG 2.95Å; I68-I79 HydrophobicContact CG2-CD1 4.22Å; I68-V82 HydrophobicContact CG2-CG1 4.16Å
69E98.4Very high97.5Very high97 Ų9755 Ų5545%0.45328%0.28SS..Hα-helixtrans-58.1-47.3174.4-59.9-174.8147.400111.5V64 D65 S72 K73 I79V64-E69 HydrophobicContact CB-CG 4.16Å; V64-E69 HydrophobicContact CG1-CG 4.05Å; D65-E69 PolarHBondContact O-N 3.42Å; E69-S72 PolarHBondContact O-N 3.47Å; E69-K73 WeakPolarHBondContact O-CB 3.37Å; E69-K73 PolarHBondContact O-N 2.99Å; E69-I79 HydrophobicContact CG-CD1 4.25Å; E69-I79 HydrophobicContact CG-CG1 4.44Å
70Q98.7Very high97.5Very high70 Ų7056.5 Ų56.533%0.32729%0.29SS..Hα-helixtrans-69-41.2-179.6-173.965.317.500112.1L35 P66 I68 S72 K73 E74L35-Q70 HydrophobicContact CD1-CB 3.9Å; L35-Q70 HydrophobicContact CD1-CG 3.84Å; L35-Q70 HydrophobicContact CD2-CG 4.06Å; P66-Q70 VanDerWaalsContact O-CB 3.25Å; P66-Q70 WeakPolarHBondContact O-CB 3.42Å; P66-Q70 PolarHBondContact O-N 3.47Å; I68-Q70 PolarHBondContact O-N 3.06Å; Q70-S72 PolarHBondContact O-N 2.9Å; Q70-K73 PolarHBondContact O-N 2.88Å; Q70-E74 HydrophobicContact CG-CG 4.37Å; Q70-E74 PolarHBondContact NE2-OE1 2.9Å; Q70-E74 WeakPolarHBondContact O-CB 3.45Å; Q70-E74 WeakPolarHBondContact O-CG 3.45Å; Q70-E74 PolarHBondContact O-N 2.91Å
71A98.8Very high97.6Very high0 Ų060.5 Ų60.50%031%0.312CS..Hα-helixtrans-64.3-38175.200000112.5F28 E31 L32 L35 V67 I68 S75F28-A71 HydrophobicContact CD2-CB 3.75Å; F28-A71 HydrophobicContact CE2-CB 3.62Å; F28-A71 HydrophobicContact CG-CB 4.44Å; F28-A71 HydrophobicContact CZ-CB 4.23Å; E31-A71 HydrophobicContact CB-CB 4.43Å; L32-A71 HydrophobicContact CB-CB 3.92Å; L32-A71 HydrophobicContact CD1-CB 4.4Å; L35-A71 HydrophobicContact CD1-CB 4.1Å; V67-A71 WeakPolarHBondContact O-CB 3.22Å; V67-A71 PolarHBondContact O-N 3.28Å; I68-A71 PolarHBondContact O-N 2.92Å; A71-S75 WeakPolarHBondContact O-CB 3.38Å; A71-S75 PolarHBondContact O-N 3.06Å; A71-S75 PolarHBondContact O-OG 2.64Å
72S98.6Very high97.8Very high1 Ų160.4 Ų60.41%0.00731%0.31CS..Hα-helixtrans-60.4-48.4172.7-63.10000110.7F28 I68 E69 Q70 S75 G76 L77F28-S72 WeakPolarHBondContact CE2-OG 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.21Å; I68-S72 PolarHBondContact O-N 3.48Å; I68-S72 PolarHBondContact O-OG 2.95Å; E69-S72 PolarHBondContact O-N 3.47Å; Q70-S72 PolarHBondContact O-N 2.9Å; S72-S75 PolarHBondContact O-N 3.5Å; S72-S75 PolarHBondContact O-OG 3.13Å; S72-G76 PolarHBondContact O-N 3.46Å; S72-L77 CarbonylContact C-O 3.5Å; S72-L77 PolarHBondContact O-N 3.45Å
73K98.6Very high98.1Very high158 Ų15857.4 Ų57.469%0.68729%0.292SS*.Hα-helixtrans-61.9-46.4178.9-176.7179.6179.6179.50113.4E69 Q70 G76E69-K73 WeakPolarHBondContact O-CB 3.37Å; E69-K73 PolarHBondContact O-N 2.99Å; Q70-K73 PolarHBondContact O-N 2.88Å; K73-G76 PolarHBondContact O-N 2.69Å
74E98.6Very high98.2Very high68 Ų6852.9 Ų52.932%0.31829%0.291SS..Hα-helixtrans-70.5-37.8-179.3-71171.4165.900111.8E31 R34 Q70 G76E31-E74 HydrophobicContact CB-CB 4.37Å; E31-E74 HydrophobicContact CG-CB 3.91Å; R34-E74 IonicContact CZ-OE2 2.64Å; R34-E74 IonicContact NH2-OE1 2.69Å; R34-E74 PolarHBondContact NH2-OE1 2.72Å; R34-E74 VanDerWaalsContact NH2-OE1 3.08Å; R34-E74 IonicContact NH2-OE2 3.13Å; R34-E74 PolarHBondContact NH2-OE2 2.95Å; Q70-E74 HydrophobicContact CG-CG 4.37Å; Q70-E74 PolarHBondContact NE2-OE1 2.9Å; Q70-E74 WeakPolarHBondContact O-CB 3.45Å; Q70-E74 WeakPolarHBondContact O-CG 3.45Å; Q70-E74 PolarHBondContact O-N 2.91Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 2.72Å
75S98.5Very high98.3Very high0 Ų054.2 Ų54.20%030%0.298CS..Hα-helixtrans-72.7-22.7173.964.90000113.6R24 A71 S72R24-S75 WeakPolarHBondContact CD-O 3.46Å; R24-S75 PolarHBondContact NH1-O 2.93Å; A71-S75 WeakPolarHBondContact O-CB 3.38Å; A71-S75 PolarHBondContact O-N 3.06Å; A71-S75 PolarHBondContact O-OG 2.64Å; S72-S75 PolarHBondContact O-N 3.5Å; S72-S75 PolarHBondContact O-OG 3.13Å
76G98.4Very high98.3Very high42 Ų4253.9 Ų53.943%0.43330%0.295SS..THydrogen-bonded Turntrans75.439.2-174.300000112.7S72 K73 E74S72-G76 PolarHBondContact O-N 3.46Å; K73-G76 PolarHBondContact O-N 2.69Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 2.72Å
77L98.5Very high98.3Very high19 Ų1950.8 Ų50.810%0.09928%0.275CS..  trans-99.8146.9164.5-67174.1000109.1L20 R24 F28 S72 V82L20-L77 HydrophobicContact CB-CD2 4.17Å; L20-L77 HydrophobicContact CD1-CD1 4.08Å; L20-L77 HydrophobicContact CD1-CD2 4.22Å; R24-L77 HydrophobicContact CB-CD1 4.49Å; R24-L77 HydrophobicContact CB-CD2 3.55Å; R24-L77 HydrophobicContact CB-CG 3.96Å; R24-L77 HydrophobicContact CG-CD2 4.28Å; F28-L77 HydrophobicContact CB-CD1 3.94Å; F28-L77 HydrophobicContact CD2-CD1 4.21Å; F28-L77 HydrophobicContact CG-CD1 4.22Å; S72-L77 CarbonylContact C-O 3.5Å; S72-L77 PolarHBondContact O-N 3.45Å; L77-V82 HydrophobicContact CB-CG2 3.82Å; L77-V82 HydrophobicContact CD1-CG2 3.91Å; L77-V82 HydrophobicContact CG-CG2 4.49Å
78D98.3Very high98.1Very high92 Ų9257.4 Ų57.449%0.49231%0.305SS..  trans-69.1139169.6-157.7-46.9000109.7D80 D81 V82D78-D80 VanDerWaalsContact C-N 3.3Å; D78-D80 PolarHBondContact OD1-N 3.3Å; D78-D81 HydrophobicContact CB-CB 4.04Å; D78-D81 PolarHBondContact O-N 3.07Å; D78-V82 WeakPolarHBondContact O-CG2 3.24Å; D78-V82 PolarHBondContact O-N 2.9Å
79I97.9Very high98.1Very high51 Ų5159 Ų5926%0.26231%0.314SS..Hα-helixtrans-68.5-33.1179.6-172.255.4000111.3V64 I68 E69 V82 R83V64-I79 HydrophobicContact CG1-CD1 4.25Å; I68-I79 HydrophobicContact CG2-CD1 4.22Å; E69-I79 HydrophobicContact CG-CD1 4.25Å; E69-I79 HydrophobicContact CG-CG1 4.44Å; I79-V82 PolarHBondContact O-N 2.97Å; I79-R83 VanDerWaalsContact O-CB 3.26Å; I79-R83 WeakPolarHBondContact O-CB 3.41Å; I79-R83 PolarHBondContact O-N 3.09Å
80D97.8Very high98.1Very high109 Ų10954.3 Ų54.358%0.58329%0.292SS*.Hα-helixtrans-71.8-35.6177.3-75.4-35.8000111.3D78 G84D78-D80 VanDerWaalsContact C-N 3.3Å; D78-D80 PolarHBondContact OD1-N 3.3Å; D80-G84 PolarHBondContact O-N 3.16Å
81D98.1Very high98.1Very high90 Ų9051.6 Ų51.648%0.48128%0.281SS..Hα-helixtrans-65.1-42.4171.6-86.1-21.3000111.9L20 D78 N85L20-D81 HydrophobicContact CD2-CB 3.94Å; D78-D81 HydrophobicContact CB-CB 4.04Å; D78-D81 PolarHBondContact O-N 3.07Å; D81-N85 PolarHBondContact O-N 3.46Å; D81-N85 PolarHBondContact O-ND2 3.26Å
82V98.3Very high98.1Very high0 Ų051.6 Ų51.60%028%0.281CS..Hα-helixtrans-64.9-49.4176.8169.70000110.4L16 L20 F28 I68 L77 D78 I79 G84 N85 L86L16-V82 HydrophobicContact CD1-CG1 4.31Å; L16-V82 HydrophobicContact CD2-CG1 4.27Å; L20-V82 HydrophobicContact CD1-CG2 3.89Å; F28-V82 HydrophobicContact CE2-CG1 4.18Å; F28-V82 HydrophobicContact CE2-CG2 4.48Å; F28-V82 HydrophobicContact CZ-CG1 4.16Å; I68-V82 HydrophobicContact CG2-CG1 4.16Å; L77-V82 HydrophobicContact CB-CG2 3.82Å; L77-V82 HydrophobicContact CD1-CG2 3.91Å; L77-V82 HydrophobicContact CG-CG2 4.49Å; D78-V82 WeakPolarHBondContact O-CG2 3.24Å; D78-V82 PolarHBondContact O-N 2.9Å; I79-V82 PolarHBondContact O-N 2.97Å; V82-G84 PolarHBondContact O-N 3.33Å; V82-N85 PolarHBondContact O-N 3.43Å; V82-L86 HydrophobicContact CG1-CD1 3.81Å; V82-L86 WeakPolarHBondContact O-CD1 3.36Å; V82-L86 WeakPolarHBondContact O-CG 3.44Å; V82-L86 PolarHBondContact O-N 2.75Å
83R97.6Very high98.1Very high103 Ų10354.2 Ų54.239%0.38929%0.291SS..Hα-helixtrans-61.8-43.2178.3-174.6-178.6179.1-139.41.6111.9G61 V64 I79 N85 L86G61-R83 PolarHBondContact O-NE 2.87Å; G61-R83 PolarHBondContact O-NH2 3.29Å; V64-R83 HydrophobicContact CG2-CG 4.39Å; I79-R83 VanDerWaalsContact O-CB 3.26Å; I79-R83 WeakPolarHBondContact O-CB 3.41Å; I79-R83 PolarHBondContact O-N 3.09Å; R83-N85 VanDerWaalsContact C-N 3.26Å; R83-N85 PolarHBondContact O-N 3.44Å; R83-L86 PolarHBondContact O-N 2.88Å
84G97.7Very high98.1Very high66 Ų6646.7 Ų46.768%0.6826%0.258SS*.Hα-helixtrans-68.5-17.4-178.400000115.2D80 V82D80-G84 PolarHBondContact O-N 3.16Å; V82-G84 PolarHBondContact O-N 3.33Å
85N98.4Very high98.1Very high49 Ų4943.9 Ų43.926%0.26225%0.245SC..Hα-helixtrans-97.3-12.8173.3-75.1-80000113.5L16 K19 D81 V82 R83L16-N85 HydrophobicContact CD2-CB 4.03Å; K19-N85 VanDerWaalsContact CB-OD1 3.26Å; K19-N85 WeakPolarHBondContact CB-OD1 3.5Å; K19-N85 VanDerWaalsContact CG-OD1 3.26Å; K19-N85 WeakPolarHBondContact CG-OD1 3.26Å; D81-N85 PolarHBondContact O-N 3.46Å; D81-N85 PolarHBondContact O-ND2 3.26Å; V82-N85 PolarHBondContact O-N 3.43Å; R83-N85 VanDerWaalsContact C-N 3.26Å; R83-N85 PolarHBondContact O-N 3.44Å
86L98.1Very high98.1Very high12 Ų1244.1 Ų44.16%0.06325%0.246CC..SBendtrans-87.5153.5176.8-72.4163.8000111.2I12 Y15 L16 I60 V82 R83 Q88 L90I12-L86 HydrophobicContact CG2-CD2 4.09Å; Y15-L86 HydrophobicContact CD2-CD2 4.11Å; Y15-L86 HydrophobicContact CG-CD2 4.22Å; L16-L86 HydrophobicContact CD2-CD2 4.47Å; L16-L86 HydrophobicContact CD2-CG 4.15Å; I60-L86 HydrophobicContact CD1-CD1 3.76Å; I60-L86 HydrophobicContact CG2-CD1 4.41Å; V82-L86 HydrophobicContact CG1-CD1 3.81Å; V82-L86 WeakPolarHBondContact O-CD1 3.36Å; V82-L86 WeakPolarHBondContact O-CG 3.44Å; V82-L86 PolarHBondContact O-N 2.75Å; R83-L86 PolarHBondContact O-N 2.88Å; L86-Q88 PolarHBondContact O-N 3.28Å; L86-L90 HydrophobicContact CD2-CD2 4.42Å
87P97.8Very high98Very high24 Ų2444.3 Ų44.316%0.15624%0.235CC..PPolyproline II helixtrans-58.9138172.3-2131.9000111.7Y15 L90 I103Y15-P87 HydrophobicContact CD1-CG 4.03Å; Y15-P87 HydrophobicContact CE1-CG 3.52Å; Y15-P87 HydrophobicContact CE2-CG 4.18Å; P87-L90 HydrophobicContact CB-CB 4.44Å; P87-L90 WeakPolarHBondContact O-CB 3.38Å; P87-L90 PolarHBondContact O-N 2.91Å; P87-I103 HydrophobicContact CB-CB 4.39Å; P87-I103 HydrophobicContact CB-CD1 3.75Å; P87-I103 HydrophobicContact CB-CG1 3.86Å; P87-I103 HydrophobicContact CB-CG2 3.64Å; P87-I103 HydrophobicContact CG-CD1 3.77Å; P87-I103 HydrophobicContact CG-CG1 4.28Å
88Q95.5Very high98Very high153 Ų15346 Ų4672%0.71524%0.243SC*.THydrogen-bonded Turntrans-64138.7175.9-174.2177.6-1.300111.1L86 L90 G104L86-Q88 PolarHBondContact O-N 3.28Å; Q88-L90 VanDerWaalsContact C-N 3.26Å; Q88-L90 PolarHBondContact O-N 3.34Å; Q88-G104 PolarHBondContact O-N 3.02Å
89D97.2Very high98Very high34 Ų3441.7 Ų41.718%0.18222%0.22CC..THydrogen-bonded Turntrans50.247.8-177.6-49.3-43.8000111.8I60 G61 G104I60-D89 CarbonylContact O-C 3.6Å; I60-D89 VanDerWaalsContact O-CA 3.3Å; I60-D89 WeakPolarHBondContact O-CA 3.44Å; I60-D89 PolarHBondContact O-N 2.91Å; G61-D89 WeakPolarHBondContact CA-OD1 3.48Å; D89-G104 PolarHBondContact O-N 3.49Å
90L98.6Very high98.1Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-74.5129.5172.6174.264.9000109.5F11 I60 L86 P87 Q88 V92 Y101 Q102 I103F11-L90 HydrophobicContact CE1-CD1 3.95Å; F11-L90 HydrophobicContact CE1-CD2 4.29Å; F11-L90 HydrophobicContact CZ-CD1 4.29Å; I60-L90 HydrophobicContact CB-CB 4.4Å; I60-L90 HydrophobicContact CD1-CD2 4.41Å; I60-L90 PolarHBondContact N-O 3.22Å; I60-L90 PolarHBondContact O-N 3.13Å; L86-L90 HydrophobicContact CD2-CD2 4.42Å; P87-L90 HydrophobicContact CB-CB 4.44Å; P87-L90 WeakPolarHBondContact O-CB 3.38Å; P87-L90 PolarHBondContact O-N 2.91Å; Q88-L90 VanDerWaalsContact C-N 3.26Å; Q88-L90 PolarHBondContact O-N 3.34Å; L90-V92 HydrophobicContact CD1-CG2 3.94Å; L90-V92 HydrophobicContact CD2-CG2 4.18Å; L90-V92 HydrophobicContact CG-CG2 3.99Å; L90-Y101 HydrophobicContact CD1-CD2 4.15Å; L90-Q102 WeakPolarHBondContact CA-O 3.3Å; L90-I103 HydrophobicContact CD1-CG1 3.86Å
91S98.6Very high98.1Very high12 Ų1235.9 Ų35.98%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-123.7134.1167.4-54.40000109.1I58 H59 Y101 Q102I58-S91 CarbonylContact O-C 3.52Å; I58-S91 WeakPolarHBondContact O-CA 3.29Å; H59-S91 PolarHBondContact ND1-OG 3.12Å; S91-Y101 CarbonylContact O-C 3.6Å; S91-Y101 WeakPolarHBondContact O-CA 3.44Å; S91-Y101 WeakPolarHBondContact O-CB 3.25Å; S91-Q102 PolarHBondContact N-O 2.95Å; S91-Q102 PolarHBondContact O-N 3.3Å
92V98.8Very high98.2Very high1 Ų133.5 Ų33.51%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-127.1120.3178.2-174.10000109.3A8 F11 I12 C57 I58 L90 I94 V99 S100A8-V92 HydrophobicContact CB-CG1 4.13Å; F11-V92 HydrophobicContact CD1-CG2 4.39Å; F11-V92 HydrophobicContact CE1-CG2 4.13Å; I12-V92 HydrophobicContact CD1-CG2 4.5Å; C57-V92 WeakPolarHBondContact CA-O 3.41Å; I58-V92 HydrophobicContact CB-CB 4.42Å; I58-V92 PolarHBondContact N-O 2.89Å; I58-V92 PolarHBondContact O-N 2.94Å; L90-V92 HydrophobicContact CD1-CG2 3.94Å; L90-V92 HydrophobicContact CD2-CG2 4.18Å; L90-V92 HydrophobicContact CG-CG2 3.99Å; V92-I94 HydrophobicContact CG1-CG1 4.26Å; V92-V99 HydrophobicContact CG1-CG1 4.4Å; V92-S100 WeakPolarHBondContact CA-O 3.37Å
93W98.8Very high98.2Very high56 Ų5636.6 Ų36.621%0.21219%0.19CC..EExtended strand (participates in β ladder)trans-95.3131.4172.9-62.2-89.9000109.5V99 S100 Q102 V109W93-V99 WeakPolarHBondContact O-CA 3.37Å; W93-S100 PolarHBondContact N-O 2.91Å; W93-S100 PolarHBondContact O-N 2.86Å; W93-S100 VanDerWaalsContact O-N 3.12Å; W93-Q102 HydrophobicContact CH2-CB 3.75Å; W93-Q102 HydrophobicContact CZ3-CB 3.65Å; W93-V109 HydrophobicContact CZ3-CG1 4.29Å; W93-V109 HydrophobicContact CZ3-CG2 4.27Å
94I98.8Very high98.1Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-123.795.1176.5-47.5-175.8000106.2E4 I5 A8 L36 Y40 W44 R56 I58 V92 V99E4-I94 HydrophobicContact CB-CG2 3.77Å; I5-I94 HydrophobicContact CG1-CG2 4.31Å; A8-I94 HydrophobicContact CB-CD1 3.27Å; A8-I94 HydrophobicContact CB-CG1 3.77Å; L36-I94 HydrophobicContact CD1-CD1 4.3Å; Y40-I94 HydrophobicContact CE2-CB 3.86Å; Y40-I94 HydrophobicContact CE2-CD1 4.15Å; Y40-I94 HydrophobicContact CE2-CG2 3.98Å; Y40-I94 WeakPolarHBondContact OH-CD1 3.25Å; W44-I94 HydrophobicContact CH2-CG2 4.22Å; W44-I94 HydrophobicContact CZ3-CG2 4.22Å; W44-I94 WeakPolarHBondContact CZ3-O 3.24Å; R56-I94 WeakPolarHBondContact CD-O 3.38Å; R56-I94 PolarHBondContact NE-O 3.45Å; I58-I94 HydrophobicContact CD1-CD1 3.84Å; V92-I94 HydrophobicContact CG1-CG1 4.26Å; I94-V99 HydrophobicContact CG2-CG2 4.37Å
95D98.6Very high97.8Very high8 Ų837.3 Ų37.34%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-116.8159.9-174.7-69.6-12.7000109.6W44 S53 R56 F97 E98W44-D95 WeakPolarHBondContact CH2-O 3.08Å; S53-D95 WeakPolarHBondContact CA-OD1 3.39Å; S53-D95 WeakPolarHBondContact CB-OD1 3.22Å; S53-D95 WeakPolarHBondContact CB-OD2 3.34Å; S53-D95 VanDerWaalsContact OG-CG 3.32Å; S53-D95 PolarHBondContact OG-OD1 3.23Å; S53-D95 PolarHBondContact OG-OD2 3.2Å; R56-D95 IonicContact CZ-OD1 3.46Å; R56-D95 IonicContact NE-OD1 3.43Å; R56-D95 PolarHBondContact NE-OD1 2.7Å; R56-D95 VanDerWaalsContact NH2-CG 3.31Å; R56-D95 IonicContact NH2-OD1 2.67Å; R56-D95 PolarHBondContact NH2-OD1 2.87Å; D95-F97 PolarHBondContact O-N 2.95Å; D95-E98 CarbonylContact C-O 3.48Å; D95-E98 PolarHBondContact N-O 2.75Å; D95-E98 PolarHBondContact O-N 3.01Å
96P98.2Very high97.7Very high5 Ų544.3 Ų44.33%0.03221%0.214CC..THydrogen-bonded Turntrans-51.9127169.6-24.733000111W44 P49 E98W44-P96 HydrophobicContact CD2-CG 4.11Å; W44-P96 HydrophobicContact CH2-CG 4.44Å; W44-P96 VanDerWaalsContact CZ2-CA 3.46Å; W44-P96 HydrophobicContact CZ2-CB 4.05Å; W44-P96 HydrophobicContact CZ2-CG 3.85Å; P49-P96 HydrophobicContact CB-CB 4.02Å; P49-P96 HydrophobicContact CB-CG 4.19Å; P49-P96 HydrophobicContact CG-CB 4.22Å; P96-E98 PolarHBondContact O-N 2.86Å; P96-E98 VanDerWaalsContact O-N 3.13Å
97F97.3Very high97.6Very high46 Ų4644.6 Ų44.620%0.20222%0.219CC..THydrogen-bonded Turntrans66.2-2.1179.6-35.5-69.9000116.7P46 P49 D95 V114 D115 E118P46-F97 HydrophobicContact CB-CE2 4.26Å; P46-F97 HydrophobicContact CB-CZ 4Å; P46-F97 WeakPolarHBondContact O-CE2 3.49Å; P49-F97 HydrophobicContact CG-CD2 4.09Å; P49-F97 HydrophobicContact CG-CE2 4.28Å; D95-F97 PolarHBondContact O-N 2.95Å; F97-V114 CarbonylContact O-C 3.57Å; F97-V114 VanDerWaalsContact O-CA 3.24Å; F97-V114 WeakPolarHBondContact O-CA 3.4Å; F97-D115 HydrophobicContact CB-CB 4.25Å; F97-D115 HydrophobicContact CD1-CB 4.46Å; F97-D115 PolarHBondContact O-N 3.1Å; F97-E118 HydrophobicContact CE1-CB 4.41Å; F97-E118 HydrophobicContact CE1-CG 4.13Å; F97-E118 WeakPolarHBondContact CE1-OE1 3.37Å; F97-E118 WeakPolarHBondContact CE1-OE2 3.41Å; F97-E118 HydrophobicContact CZ-CG 4.5Å; F97-E118 WeakPolarHBondContact CZ-OE2 3.3Å
98E98.2Very high97.6Very high56 Ų5648 Ų4826%0.26224%0.241SC..EExtended strand (participates in β ladder)trans-141.4134.6176.9-163.9-174.1114.300112.7D95 P96 S100 V111 Y113D95-E98 CarbonylContact C-O 3.48Å; D95-E98 PolarHBondContact N-O 2.75Å; D95-E98 PolarHBondContact O-N 3.01Å; P96-E98 PolarHBondContact O-N 2.86Å; P96-E98 VanDerWaalsContact O-N 3.13Å; E98-S100 VanDerWaalsContact OE1-CB 3.24Å; E98-S100 WeakPolarHBondContact OE1-CB 3.2Å; E98-S100 PolarHBondContact OE1-OG 2.99Å; E98-V111 HydrophobicContact CG-CG1 4.31Å; E98-Y113 CarbonylContact C-O 3.48Å; E98-Y113 WeakPolarHBondContact CA-O 3.44Å
99V98.8Very high97.7Very high0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans-119.7121.8163.1-174.30000108.2E4 V7 A8 V92 W93 I94 L112 Y113E4-V99 HydrophobicContact CB-CG2 3.57Å; E4-V99 HydrophobicContact CG-CG2 4.21Å; E4-V99 WeakPolarHBondContact O-CG2 3.26Å; V7-V99 HydrophobicContact CB-CG2 4.32Å; V7-V99 HydrophobicContact CG1-CB 4.21Å; V7-V99 HydrophobicContact CG1-CG1 4.24Å; V7-V99 HydrophobicContact CG1-CG2 4.39Å; A8-V99 HydrophobicContact CB-CG1 3.92Å; V92-V99 HydrophobicContact CG1-CG1 4.4Å; W93-V99 WeakPolarHBondContact O-CA 3.37Å; I94-V99 HydrophobicContact CG2-CG2 4.37Å; V99-L112 HydrophobicContact CB-CB 4.41Å; V99-L112 HydrophobicContact CG1-CB 4.29Å; V99-L112 HydrophobicContact CG1-CD1 4.11Å; V99-L112 PolarHBondContact O-N 2.89Å; V99-Y113 HydrophobicContact CG2-CD1 4.29Å; V99-Y113 PolarHBondContact N-O 3.44Å; V99-Y113 PolarHBondContact O-N 3.49Å; V99-Y113 VanDerWaalsContact O-N 3.16Å
100S98.7Very high97.8Very high6 Ų648.4 Ų48.44%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-139.8160.9-179.554.30000111.8V92 W93 E98 K110V92-S100 WeakPolarHBondContact CA-O 3.37Å; W93-S100 PolarHBondContact N-O 2.91Å; W93-S100 PolarHBondContact O-N 2.86Å; W93-S100 VanDerWaalsContact O-N 3.12Å; E98-S100 VanDerWaalsContact OE1-CB 3.24Å; E98-S100 WeakPolarHBondContact OE1-CB 3.2Å; E98-S100 PolarHBondContact OE1-OG 2.99Å; S100-K110 CarbonylContact C-O 3.54Å; S100-K110 WeakPolarHBondContact CA-O 3.3Å; S100-K110 WeakPolarHBondContact CB-O 3.03Å
101Y98.8Very high97.8Very high32 Ų3252.1 Ų52.113%0.12527%0.269CS..EExtended strand (participates in β ladder)trans-145.1158.8-176.774.9-78.9000112.8F11 L90 S91 I103 V109 K110 L112F11-Y101 HydrophobicContact CE1-CD1 4.47Å; F11-Y101 HydrophobicContact CE1-CD2 4.11Å; F11-Y101 HydrophobicContact CE1-CG 4Å; F11-Y101 HydrophobicContact CE2-CD1 4.31Å; F11-Y101 HydrophobicContact CE2-CD2 4.29Å; F11-Y101 HydrophobicContact CE2-CE1 4.05Å; F11-Y101 HydrophobicContact CE2-CE2 4.06Å; F11-Y101 HydrophobicContact CE2-CG 4.4Å; F11-Y101 AromaticContact CE2-CZ 3.91Å; F11-Y101 HydrophobicContact CZ-CD1 4.06Å; F11-Y101 AromaticContact CZ-CD2 3.5Å; F11-Y101 HydrophobicContact CZ-CD2 3.5Å; F11-Y101 HydrophobicContact CZ-CE1 4.16Å; F11-Y101 AromaticContact CZ-CE2 3.65Å; F11-Y101 HydrophobicContact CZ-CE2 3.65Å; F11-Y101 AromaticContact CZ-CG 3.71Å; F11-Y101 HydrophobicContact CZ-CG 3.71Å; F11-Y101 AromaticContact CZ-CZ 3.97Å; L90-Y101 HydrophobicContact CD1-CD2 4.15Å; S91-Y101 CarbonylContact O-C 3.6Å; S91-Y101 WeakPolarHBondContact O-CA 3.44Å; S91-Y101 WeakPolarHBondContact O-CB 3.25Å; Y101-I103 HydrophobicContact CD2-CD1 4.12Å; Y101-I103 HydrophobicContact CD2-CG1 3.93Å; Y101-I103 HydrophobicContact CE2-CD1 3.71Å; Y101-I103 HydrophobicContact CE2-CG1 3.98Å; Y101-V109 CarbonylContact O-C 3.58Å; Y101-V109 WeakPolarHBondContact O-CA 3.44Å; Y101-K110 HydrophobicContact CD1-CB 4.02Å; Y101-K110 VanDerWaalsContact CD1-O 3.28Å; Y101-K110 WeakPolarHBondContact CD1-O 3.09Å; Y101-K110 HydrophobicContact CE1-CB 3.52Å; Y101-K110 HydrophobicContact CE1-CD 4.33Å; Y101-K110 HydrophobicContact CE2-CB 4.42Å; Y101-K110 HydrophobicContact CE2-CD 4.22Å; Y101-K110 PolarHBondContact N-O 3.41Å; Y101-K110 PolarHBondContact O-N 2.98Å; Y101-K110 VanDerWaalsContact OH-CD 3.29Å; Y101-K110 WeakPolarHBondContact OH-CD 3.46Å; Y101-L112 HydrophobicContact CD1-CD1 3.71Å; Y101-L112 HydrophobicContact CD1-CD2 3.95Å; Y101-L112 HydrophobicContact CD1-CG 3.58Å; Y101-L112 HydrophobicContact CE1-CD1 4.27Å; Y101-L112 HydrophobicContact CE1-CD2 3.64Å; Y101-L112 HydrophobicContact CE1-CG 3.78Å; Y101-L112 HydrophobicContact CG-CD1 4.47Å
102Q98.6Very high97.7Very high40 Ų4054.6 Ų54.619%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-131.6141.4173.5-175.3-175.130.800108.5L90 S91 W93 E105 G107 V109L90-Q102 WeakPolarHBondContact CA-O 3.3Å; S91-Q102 PolarHBondContact N-O 2.95Å; S91-Q102 PolarHBondContact O-N 3.3Å; W93-Q102 HydrophobicContact CH2-CB 3.75Å; W93-Q102 HydrophobicContact CZ3-CB 3.65Å; Q102-E105 PolarHBondContact NE2-O 2.68Å; Q102-G107 WeakPolarHBondContact CG-O 3.4Å; Q102-G107 PolarHBondContact NE2-O 3.02Å; Q102-V109 HydrophobicContact CB-CG2 4.44Å
103I98.3Very high97.7Very high66 Ų6656.8 Ų56.834%0.33829%0.289SS..EExtended strand (participates in β ladder)trans-120.6123.2173.1-64.8172000107.9P87 L90 Y101 G107P87-I103 HydrophobicContact CB-CB 4.39Å; P87-I103 HydrophobicContact CB-CD1 3.75Å; P87-I103 HydrophobicContact CB-CG1 3.86Å; P87-I103 HydrophobicContact CB-CG2 3.64Å; P87-I103 HydrophobicContact CG-CD1 3.77Å; P87-I103 HydrophobicContact CG-CG1 4.28Å; L90-I103 HydrophobicContact CD1-CG1 3.86Å; Y101-I103 HydrophobicContact CD2-CD1 4.12Å; Y101-I103 HydrophobicContact CD2-CG1 3.93Å; Y101-I103 HydrophobicContact CE2-CD1 3.71Å; Y101-I103 HydrophobicContact CE2-CG1 3.98Å; I103-G107 WeakPolarHBondContact O-CA 3.15Å
104G96.4Very high97.6Very high23 Ų2356.9 Ų56.924%0.23730%0.295CS..SBendtrans80.1144.2-173.700000112.4Q88 D89 K106 G107Q88-G104 PolarHBondContact O-N 3.02Å; D89-G104 PolarHBondContact O-N 3.49Å; G104-K106 PolarHBondContact O-N 3.4Å; G104-G107 PolarHBondContact O-N 3.45Å
105E92.6Very high97.3Very high160 Ų16059 Ų5975%0.74831%0.307SS*.THydrogen-bonded Turntrans-49.7-31.9-178.7-57.4-177.5149.700114.6Q102Q102-E105 PolarHBondContact NE2-O 2.68Å
106K94.3Very high96.1Very high197 Ų19763.7 Ų63.786%0.85733%0.332SS*.THydrogen-bonded Turntrans-113.913.9-177.8-59.1-177.7-175.7176.10113G104G104-K106 PolarHBondContact O-N 3.4Å
107G96.4Very high94.7Very high17 Ų1770.7 Ų70.718%0.17537%0.369CS..PPolyproline II helixtrans-66.9153176.800000112Q102 I103 G104Q102-G107 WeakPolarHBondContact CG-O 3.4Å; Q102-G107 PolarHBondContact NE2-O 3.02Å; I103-G107 WeakPolarHBondContact O-CA 3.15Å; G104-G107 PolarHBondContact O-N 3.45Å
108P97.6Very high92.8Very high95 Ų9574.9 Ų74.962%0.61739%0.389SS*.PPolyproline II helixtrans-69.9143167.830.9-34000110.1
109V98.3Very high90.4Very high85 Ų8575.2 Ų75.252%0.51539%0.393SS..PPolyproline II helixtrans-70.7136168-175.80000108.8W93 Y101 Q102W93-V109 HydrophobicContact CZ3-CG1 4.29Å; W93-V109 HydrophobicContact CZ3-CG2 4.27Å; Y101-V109 CarbonylContact O-C 3.58Å; Y101-V109 WeakPolarHBondContact O-CA 3.44Å; Q102-V109 HydrophobicContact CB-CG2 4.44Å
110K98.5Very high88.1Confident112 Ų11279.3 Ų79.349%0.48744%0.435SS..EExtended strand (participates in β ladder)trans-126.7136179.9-70.5178178178.30110S100 Y101S100-K110 CarbonylContact C-O 3.54Å; S100-K110 WeakPolarHBondContact CA-O 3.3Å; S100-K110 WeakPolarHBondContact CB-O 3.03Å; Y101-K110 HydrophobicContact CD1-CB 4.02Å; Y101-K110 VanDerWaalsContact CD1-O 3.28Å; Y101-K110 WeakPolarHBondContact CD1-O 3.09Å; Y101-K110 HydrophobicContact CE1-CB 3.52Å; Y101-K110 HydrophobicContact CE1-CD 4.33Å; Y101-K110 HydrophobicContact CE2-CB 4.42Å; Y101-K110 HydrophobicContact CE2-CD 4.22Å; Y101-K110 PolarHBondContact N-O 3.41Å; Y101-K110 PolarHBondContact O-N 2.98Å; Y101-K110 VanDerWaalsContact OH-CD 3.29Å; Y101-K110 WeakPolarHBondContact OH-CD 3.46Å
111V98.4Very high85.8Confident78 Ų7881.6 Ų81.647%0.47345%0.451SS..EExtended strand (participates in β ladder)trans-85.4135.1178.2-178.70000110E98 Y113 V114E98-V111 HydrophobicContact CG-CG1 4.31Å; V111-Y113 VanDerWaalsContact CG1-O 3.28Å; V111-Y113 WeakPolarHBondContact CG1-O 3.41Å; V111-V114 HydrophobicContact CG1-CB 4.04Å; V111-V114 HydrophobicContact CG1-CG1 4.23Å
112L98.2Very high83.4Confident63 Ų6387.8 Ų87.833%0.3348%0.481SS..EExtended strand (participates in β ladder)trans-100.3-35.8171-68.4165.9000111.4V7 F11 V99 Y101V7-L112 HydrophobicContact CG1-CB 3.78Å; F11-L112 HydrophobicContact CB-CD1 3.74Å; F11-L112 HydrophobicContact CB-CD2 4.43Å; F11-L112 HydrophobicContact CD1-CD1 3.77Å; F11-L112 HydrophobicContact CD2-CD1 3.89Å; F11-L112 HydrophobicContact CD2-CD2 3.67Å; F11-L112 HydrophobicContact CD2-CG 4.44Å; F11-L112 HydrophobicContact CE1-CD1 4.35Å; F11-L112 HydrophobicContact CE2-CD1 4.45Å; F11-L112 HydrophobicContact CE2-CD2 4.16Å; F11-L112 HydrophobicContact CG-CD1 3.51Å; F11-L112 HydrophobicContact CG-CD2 4.13Å; F11-L112 HydrophobicContact CG-CG 4.49Å; V99-L112 HydrophobicContact CB-CB 4.41Å; V99-L112 HydrophobicContact CG1-CB 4.29Å; V99-L112 HydrophobicContact CG1-CD1 4.11Å; V99-L112 PolarHBondContact O-N 2.89Å; Y101-L112 HydrophobicContact CD1-CD1 3.71Å; Y101-L112 HydrophobicContact CD1-CD2 3.95Å; Y101-L112 HydrophobicContact CD1-CG 3.58Å; Y101-L112 HydrophobicContact CE1-CD1 4.27Å; Y101-L112 HydrophobicContact CE1-CD2 3.64Å; Y101-L112 HydrophobicContact CE1-CG 3.78Å; Y101-L112 HydrophobicContact CG-CD1 4.47Å
113Y98.2Very high81.2Confident48 Ų4891.7 Ų91.719%0.18850%0.502CS..EExtended strand (participates in β ladder)trans-146.9138.5176.2168.9-100.1000109.3L3 E4 V7 E98 V99 V111 D115L3-Y113 HydrophobicContact CD2-CE2 4.05Å; L3-Y113 WeakPolarHBondContact CD2-OH 3.42Å; E4-Y113 HydrophobicContact CG-CD1 4.18Å; E4-Y113 HydrophobicContact CG-CE1 3.95Å; V7-Y113 HydrophobicContact CG2-CG 4.41Å; E98-Y113 CarbonylContact C-O 3.48Å; E98-Y113 WeakPolarHBondContact CA-O 3.44Å; V99-Y113 HydrophobicContact CG2-CD1 4.29Å; V99-Y113 PolarHBondContact N-O 3.44Å; V99-Y113 PolarHBondContact O-N 3.49Å; V99-Y113 VanDerWaalsContact O-N 3.16Å; V111-Y113 VanDerWaalsContact CG1-O 3.28Å; V111-Y113 WeakPolarHBondContact CG1-O 3.41Å; Y113-D115 HydrophobicContact CE1-CB 4.31Å; Y113-D115 WeakPolarHBondContact OH-CB 3.48Å; Y113-D115 PolarHBondContact OH-OD2 3.22Å
114V96.9Very high79.1Confident57 Ų5793.7 Ų93.735%0.34551%0.514SS..EExtended strand (participates in β ladder)trans-138136.5163.458.40000107.1F97 V111F97-V114 CarbonylContact O-C 3.57Å; F97-V114 VanDerWaalsContact O-CA 3.24Å; F97-V114 WeakPolarHBondContact O-CA 3.4Å; V111-V114 HydrophobicContact CG1-CB 4.04Å; V111-V114 HydrophobicContact CG1-CG1 4.23Å
115D91.4Very high77.2Confident45 Ų4598.3 Ų98.324%0.24153%0.527CS..  trans-90.6120.1168.5-151.3-44.8000109.5F97 Y113 N117F97-D115 HydrophobicContact CB-CB 4.25Å; F97-D115 HydrophobicContact CD1-CB 4.46Å; F97-D115 PolarHBondContact O-N 3.1Å; Y113-D115 HydrophobicContact CE1-CB 4.31Å; Y113-D115 WeakPolarHBondContact OH-CB 3.48Å; Y113-D115 PolarHBondContact OH-OD2 3.22Å; D115-N117 WeakPolarHBondContact OD1-CB 3.43Å; D115-N117 PolarHBondContact OD1-N 3.08Å; D115-N117 PolarHBondContact OD1-ND2 2.75Å
116D75Confident75.3Confident106 Ų10697.3 Ų97.357%0.56752%0.522SS*.  trans-85.5-11.8179-73.6-47.7000113.1E118 N119D116-E118 VanDerWaalsContact C-N 3.32Å; D116-E118 PolarHBondContact O-N 2.86Å; D116-N119 WeakPolarHBondContact O-CB 3.33Å; D116-N119 PolarHBondContact O-N 2.71Å; D116-N119 PolarHBondContact OD1-ND2 3.19Å
117N68Low73.6Confident152 Ų15292.3 Ų92.381%0.81350%0.504SS*.THydrogen-bonded Turntrans-72.9-18.8-173.1-67.9-62.7000114.8D115D115-N117 WeakPolarHBondContact OD1-CB 3.43Å; D115-N117 PolarHBondContact OD1-N 3.08Å; D115-N117 PolarHBondContact OD1-ND2 2.75Å
118E57Low71.7Confident135 Ų135100 Ų10063%0.63153%0.533SS*.THydrogen-bonded Turntrans-103.611175.7-64.9-161-157.300113.3F97 D116 G120F97-E118 HydrophobicContact CE1-CB 4.41Å; F97-E118 HydrophobicContact CE1-CG 4.13Å; F97-E118 WeakPolarHBondContact CE1-OE1 3.37Å; F97-E118 WeakPolarHBondContact CE1-OE2 3.41Å; F97-E118 HydrophobicContact CZ-CG 4.5Å; F97-E118 WeakPolarHBondContact CZ-OE2 3.3Å; D116-E118 VanDerWaalsContact C-N 3.32Å; D116-E118 PolarHBondContact O-N 2.86Å; E118-G120 PolarHBondContact O-N 3.22Å
119N49.1Very low69.8Low63 Ų63102.6 Ų102.634%0.33754%0.541SS..  trans-74.764.6173.6-76.9-43.2000112.5D116 C121 K125D116-N119 WeakPolarHBondContact O-CB 3.33Å; D116-N119 PolarHBondContact O-N 2.71Å; D116-N119 PolarHBondContact OD1-ND2 3.19Å; N119-C121 PolarHBondContact O-N 3.3Å; N119-C121 VanDerWaalsContact O-N 3.14Å; N119-K125 PolarHBondContact ND2-NZ 3.2Å
120G50.3Low67.8Low86 Ų86102.8 Ų102.889%0.88755%0.546SS*.  trans-66.43.6157.700000113.7E118E118-G120 PolarHBondContact O-N 3.22Å
121C49Very low65.8Low54 Ų54104.5 Ų104.537%0.36555%0.554SS.*  trans-125.167.1173.6-167.90000111.2N119 L123 D124N119-C121 PolarHBondContact O-N 3.3Å; N119-C121 VanDerWaalsContact O-N 3.14Å; C121-L123 PolarHBondContact O-N 2.9Å; C121-D124 VanDerWaalsContact SG-CG 3.58Å; C121-D124 PolarHBondContact SG-OD2 2.95Å; C121-D124 VanDerWaalsContact SG-OD2 3.38Å
122E48.6Very low64.4Low162 Ų162105.2 Ų105.276%0.75756%0.555SS**  trans-67.6-22.2164.2-167.6170.6-171.900111.5D124 K125E122-D124 PolarHBondContact O-N 3.03Å; E122-K125 PolarHBondContact O-N 3Å
123L52.3Low62.7Low121 Ų121107.7 Ų107.763%0.63458%0.575SS**Hα-helixtrans-65.6-38.2-170.1-157.168000114.4C121 I127C121-L123 PolarHBondContact O-N 2.9Å; L123-I127 HydrophobicContact CG-CD1 4.19Å; L123-I127 WeakPolarHBondContact O-CD1 3.21Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.41Å; L123-I127 PolarHBondContact O-N 3.38Å
124D54.6Low60.6Low109 Ų109112.8 Ų112.858%0.58360%0.6SS**Hα-helixtrans-76.3-25.1-175.9-75.3-19.3000113.5C121 E122 K128C121-D124 VanDerWaalsContact SG-CG 3.58Å; C121-D124 PolarHBondContact SG-OD2 2.95Å; C121-D124 VanDerWaalsContact SG-OD2 3.38Å; E122-D124 PolarHBondContact O-N 3.03Å; D124-K128 PolarHBondContact O-N 3.44Å
125K56.6Low59Low119 Ų119112.5 Ų112.552%0.51760%0.604SS.*Hα-helixtrans-73.1-33.2178.6-69.9175.6-178.6168.80111.6N119 E122N119-K125 PolarHBondContact ND2-NZ 3.2Å; E122-K125 PolarHBondContact O-N 3Å
126E52.9Low57.4Low139 Ų139119 Ų11965%0.6563%0.634SS**Hα-helixtrans-78.2-36177.3-166.6171.3-14800112.6K128 N129 S130E126-K128 PolarHBondContact O-N 3.22Å; E126-N129 PolarHBondContact O-N 3.32Å; E126-S130 PolarHBondContact O-N 3.48Å; E126-S130 PolarHBondContact O-OG 3.14Å
127I58.8Low56.6Low92 Ų92118.6 Ų118.647%0.47263%0.634SS.*Hα-helixtrans-63-41.7178-68.1166.3000111.5L123 N129 S130L123-I127 HydrophobicContact CG-CD1 4.19Å; L123-I127 WeakPolarHBondContact O-CD1 3.21Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.41Å; L123-I127 PolarHBondContact O-N 3.38Å; I127-N129 VanDerWaalsContact C-N 3.29Å; I127-N129 PolarHBondContact O-N 3.41Å; I127-S130 PolarHBondContact O-N 3.48Å; I127-S130 VanDerWaalsContact O-N 3.16Å
128K55.7Low55.9Low179 Ų179121 Ų12178%0.77864%0.638SS**Hα-helixtrans-67.3-26.4-176.6-164.9172.8-178.8179.80113.8D124 E126D124-K128 PolarHBondContact O-N 3.44Å; E126-K128 PolarHBondContact O-N 3.22Å
129N57.4Low55.8Low150 Ų150121.4 Ų121.480%0.80264%0.642SS**Hα-helixtrans-91.1-8.1176.3-72.2-14.4000113.5E126 I127E126-N129 PolarHBondContact O-N 3.32Å; I127-N129 VanDerWaalsContact C-N 3.29Å; I127-N129 PolarHBondContact O-N 3.41Å
130S57.5Low56Low88 Ų88123.5 Ų123.562%0.61566%0.659SS**Hα-helixtrans-97.4-5.2-179.2-60.20000113.7E126 I127 N132E126-S130 PolarHBondContact O-N 3.48Å; E126-S130 PolarHBondContact O-OG 3.14Å; I127-S130 PolarHBondContact O-N 3.48Å; I127-S130 VanDerWaalsContact O-N 3.16Å; S130-N132 PolarHBondContact O-N 3.2Å
131F56.9Low55.9Low149 Ų149127 Ų12765%0.65466%0.656SS**  trans-82.399.3-178.7-136.9-88.8000111.3P133F131-P133 WeakPolarHBondContact O-CD 3.41Å
132N67.9Low55.9Low92 Ų92129.7 Ų129.749%0.49267%0.674SS.*  trans-66.5114.9170.717712.8000109.6S130 E134 A135S130-N132 PolarHBondContact O-N 3.2Å; N132-E134 PolarHBondContact O-N 2.81Å; N132-E134 WeakPolarHBondContact OD1-CB 3.48Å; N132-E134 PolarHBondContact OD1-N 2.63Å; N132-E134 VanDerWaalsContact OD1-N 3.09Å; N132-A135 HydrophobicContact CB-CB 4.18Å; N132-A135 VanDerWaalsContact O-CB 3.25Å; N132-A135 WeakPolarHBondContact O-CB 3.41Å; N132-A135 PolarHBondContact O-N 3.43Å
133P63.4Low55.9Low115 Ų115129.4 Ų129.475%0.74768%0.678SS**THydrogen-bonded Turntrans-66.4-19.1-179.128.9-35.9000113F131 A135F131-P133 WeakPolarHBondContact O-CD 3.41Å; P133-A135 VanDerWaalsContact C-N 3.29Å
134E53.9Low55.8Low155 Ų155129.2 Ų129.272%0.72468%0.684SS**THydrogen-bonded Turntrans-81.7-6.5175.7-50-61.3133.100112.8N132 Q136N132-E134 PolarHBondContact O-N 2.81Å; N132-E134 WeakPolarHBondContact OD1-CB 3.48Å; N132-E134 PolarHBondContact OD1-N 2.63Å; N132-E134 VanDerWaalsContact OD1-N 3.09Å; E134-Q136 PolarHBondContact O-N 2.67Å
135A61.8Low55.4Low52 Ų52128.6 Ų128.643%0.4370%0.695SS.*  trans-73.792.7178.800000110.4N132 P133 V137N132-A135 HydrophobicContact CB-CB 4.18Å; N132-A135 VanDerWaalsContact O-CB 3.25Å; N132-A135 WeakPolarHBondContact O-CB 3.41Å; N132-A135 PolarHBondContact O-N 3.43Å; P133-A135 VanDerWaalsContact C-N 3.29Å; A135-V137 VanDerWaalsContact C-N 3.35Å; A135-V137 PolarHBondContact O-N 3.28Å
136Q58.4Low54.7Low182 Ų182127.9 Ų127.985%0.8570%0.704SS**  trans-54.298.3162.6-68.7-77-30.600108.7E134 F138E134-Q136 PolarHBondContact O-N 2.67Å; Q136-F138 PolarHBondContact O-N 2.75Å
137V59.2Low54Low96 Ų96126 Ų12658%0.58271%0.707SS**  trans-56.8126.4175.5174.90000107.6A135 M139A135-V137 VanDerWaalsContact C-N 3.35Å; A135-V137 PolarHBondContact O-N 3.28Å; V137-M139 PolarHBondContact O-N 2.84Å
138F52.4Low53.1Low203 Ų203128.1 Ų128.189%0.8972%0.724SS**  trans-54.4103.9178.2-119.1-99.2000109.2Q136 P140Q136-F138 PolarHBondContact O-N 2.75Å; F138-P140 WeakPolarHBondContact O-CD 3.37Å
139M54.7Low52.7Low144 Ų144124.7 Ų124.771%0.70972%0.722SS**  trans-64.4127.6170.5-69.5-80.987.500107.5V137 I141V137-M139 PolarHBondContact O-N 2.84Å; M139-I141 PolarHBondContact O-N 3.17Å
140P53.5Low51.8Low107 Ų107122.6 Ų122.670%0.69572%0.719SS**  trans-53.9132.3165.5-21.332.9000108.1F138 S142F138-P140 WeakPolarHBondContact O-CD 3.37Å; P140-S142 PolarHBondContact O-N 3.11Å
141I48.4Very low51.2Low160 Ų160124.1 Ų124.182%0.82173%0.73SS**  trans-63.8107.6177.9-62.6172.2000107.2M139 D143M139-I141 PolarHBondContact O-N 3.17Å; I141-D143 PolarHBondContact O-N 2.66Å
142S48.3Very low50.9Low109 Ų109122.9 Ų122.976%0.76274%0.737SS**  trans-64116.9171-47.90000108.7P140 P144P140-S142 PolarHBondContact O-N 3.11Å; S142-P144 VanDerWaalsContact O-CD 3.25Å; S142-P144 WeakPolarHBondContact O-CD 3.3Å
143D49.9Very low49.9Very low156 Ų156123.7 Ų123.783%0.83475%0.75SS**  trans-56123.3175.3-73.6-55.5000111.6I141I141-D143 PolarHBondContact O-N 2.66Å
144P49Very low49Very low117 Ų117123.8 Ų123.876%0.7675%0.75SS**  trans-89.998.8155.932.7-23.2000108.1S142 S146S142-P144 VanDerWaalsContact O-CD 3.25Å; S142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-S146 PolarHBondContact O-N 2.94Å
145A46.3Very low48.9Very low97 Ų97122.5 Ų122.580%0.80276%0.756SS**  trans-66101.8169.800000110.4
146S42.3Very low48.1Very low103 Ų103130.3 Ų130.372%0.7278%0.78SS**  trans-179.7140.8137.234.90000115.5P144P144-S146 PolarHBondContact O-N 2.94Å
147S39.1Very low47.1Very low101 Ų101124.4 Ų124.471%0.70677%0.768SS**  trans68.7108147.1550000122.1
148V39.8Very low46.2Very low136 Ų136128.5 Ų128.582%0.82478%0.781SS**  trans69.8114132.3-49.80000122
149S46.3Very low45.7Very low106 Ų106124.6 Ų124.674%0.74178%0.779SS**  trans13.1121133.4-173.10000118.5
150S39.7Very low45Very low107 Ų107122.4 Ų122.475%0.74878%0.783SS**  -179.9124.697.2-700000111.9
151S44.9Very low44.3Very low120 Ų120121.7 Ų121.784%0.83979%0.787SS**  trans-85.7147.2167.5-63.30000111.4
152P49.4Very low44Very low122 Ų122121 Ų12179%0.79279%0.789SS**  trans-118.9122.914733.2-23.1000111.2
153S46.7Very low43.6Very low109 Ų109121.2 Ų121.276%0.76279%0.791SS**PPolyproline II helixtrans-71.6147.3171.3-48.60000111.4
154P45.8Very low43.7Very low117 Ų117119.4 Ų119.476%0.7679%0.788SS**PPolyproline II helixtrans-76.9140162.431.9-31.9000110.6
155P50.7Low43.4Very low129 Ų129120.1 Ų120.184%0.83879%0.79SS**PPolyproline II helixtrans-84.1158.7-178.133.3-35.5000113.9
156F45.2Very low43.2Very low215 Ų215123.7 Ų123.794%0.94379%0.788SS**PPolyproline II helixtrans-93.6148.7172.7-89.6-96.1000112.5
157G38.1Very low43.9Very low59 Ų59126.6 Ų126.661%0.60879%0.792SS**  trans94.1142.3164.600000115.4
158H38.8Very low44.2Very low182 Ų182127.3 Ų127.384%0.84379%0.794SS**  cis-154.3155.55.1-68.5118.3000112.2
159S43.7Very low44.5Very low121 Ų121131.7 Ų131.785%0.84680%0.796SS**  trans62.1143149.8-61.90000120.1
160A39.5Very low44.6Very low97 Ų97131.1 Ų131.180%0.80279%0.792SS**  cis-167.1151.2-12.800000109
161A38.6Very low45.3Very low93 Ų93132.9 Ų132.977%0.76980%0.798SS**  trans178.2125.7143.200000112.9
162V41.3Very low45.9Very low145 Ų145134.5 Ų134.588%0.87979%0.793SS**  trans40.2123.5154.8-57.90000122.5
163S41.1Very low46Very low114 Ų114133.3 Ų133.380%0.79779%0.785SS**  trans-78.3171.5161.4-28.40000111
164P52.5Low46.5Very low118 Ų118135.5 Ų135.577%0.76679%0.787SS**  -144.416457.139.5-19.4000118.7
165T41.6Very low47.1Very low131 Ų131134.7 Ų134.780%0.80478%0.78SS**  trans71.187.7156.4-47.80000118.8
166F41.9Very low47.9Very low172 Ų172137.9 Ų137.975%0.75478%0.781SS**  trans-86.4130.6157.5179.2-104.4000109.8P168F166-P168 HydrophobicContact CE1-CB 4.28Å
167M56.7Low49.4Very low165 Ų165130.8 Ų130.881%0.81376%0.756SS**  trans-89.5135.1157.9-81.2-160.9166.600109.1R169M167-R169 PolarHBondContact O-N 3.16Å
168P46.4Very low51.1Low115 Ų115133.8 Ų133.875%0.74776%0.763SS**  trans-70.5100.7-177.128.6-34.1000111.2F166 S170F166-P168 HydrophobicContact CE1-CB 4.28Å; P168-S170 PolarHBondContact O-N 3.2Å
169R46.2Very low52.6Low228 Ų228128.6 Ų128.686%0.8675%0.751SS**  trans-72.2112.6167.3-167.8175.6-165164.34.6108.4M167 T171M167-R169 PolarHBondContact O-N 3.16Å; R169-T171 PolarHBondContact O-N 2.9Å
170S48.6Very low54.1Low95 Ų95126.9 Ų126.966%0.66474%0.736SS**  trans-63.8124.1178.354.20000110.9P168 Q172P168-S170 PolarHBondContact O-N 3.2Å; S170-Q172 VanDerWaalsContact C-N 3.26Å; S170-Q172 PolarHBondContact O-N 3.41Å
171T54.7Low55.6Low143 Ų143128.9 Ų128.988%0.87773%0.726SS**  trans-77.977.7169.849.40000109.3R169R169-T171 PolarHBondContact O-N 2.9Å
172Q55.7Low57.2Low154 Ų154127.2 Ų127.272%0.7271%0.712SS**  trans-85.5132.9163.8-73.7-70.7-17.100108.8S170S170-Q172 VanDerWaalsContact C-N 3.26Å; S170-Q172 PolarHBondContact O-N 3.41Å
173P51.8Low58.3Low97 Ų97124.5 Ų124.563%0.6371%0.705SS**  trans-65.1136.6175.727.2-33.2000110.3T175P173-T175 PolarHBondContact O-N 2.9Å
174L58.1Low59.8Low155 Ų155122.1 Ų122.181%0.81269%0.686SS**  trans-6890.8177.4-89.7151.6000110.6
175T57.9Low60.2Low100 Ų100126.1 Ų126.161%0.61369%0.691SS**  trans-85.6112.6172.142.10000110.3P173 T177P173-T175 PolarHBondContact O-N 2.9Å; T175-T177 PolarHBondContact O-N 3.15Å
176F67.9Low61Low197 Ų197129.4 Ų129.486%0.86470%0.695SS**  trans-75.574.7176.1-65.2-86.5000110.7
177T77.1Confident61.5Low65 Ų65122.1 Ų122.140%0.39967%0.668SS.*  trans-84147.9174.176.60000111.4T175 A179 T180 F181T175-T177 PolarHBondContact O-N 3.15Å; T177-A179 PolarHBondContact O-N 2.81Å; T177-T180 WeakPolarHBondContact O-CB 3.18Å; T177-T180 PolarHBondContact O-N 3.33Å; T177-T180 PolarHBondContact OG1-N 3.18Å; T177-T180 PolarHBondContact OG1-OG1 2.85Å; T177-T180 VanDerWaalsContact OG1-OG1 3.07Å; T177-F181 PolarHBondContact O-N 3.25Å
178T73.4Confident61.4Low123 Ų123118.7 Ų118.776%0.75566%0.66SS**Hα-helixtrans-58.4-30176.9-19.70000112.4F181 A182T178-F181 PolarHBondContact O-N 3.38Å; T178-A182 PolarHBondContact O-N 3.32Å; T178-A182 VanDerWaalsContact O-N 3.08Å
179A69.7Low62.2Low72 Ų72119.8 Ų119.860%0.59567%0.665SS**Hα-helixtrans-64.8-40.8174.600000112.4T177 F181 A182 A183T177-A179 PolarHBondContact O-N 2.81Å; A179-F181 VanDerWaalsContact C-N 3.32Å; A179-F181 PolarHBondContact O-N 3.15Å; A179-A182 PolarHBondContact O-N 3.36Å; A179-A183 PolarHBondContact O-N 3.1Å
180T74.4Confident62.7Low86 Ų86118 Ų11853%0.52866%0.664SS.*Hα-helixtrans-62-40.3174.8-51.80000111.3T177 A183T177-T180 WeakPolarHBondContact O-CB 3.18Å; T177-T180 PolarHBondContact O-N 3.33Å; T177-T180 PolarHBondContact OG1-N 3.18Å; T177-T180 PolarHBondContact OG1-OG1 2.85Å; T177-T180 VanDerWaalsContact OG1-OG1 3.07Å; T180-A183 PolarHBondContact O-N 3.32Å
181F71.6Confident62.9Low138 Ų138122.2 Ų122.261%0.60568%0.675SS**Hα-helixtrans-66-44.8177.7-179.2-100.9000112.4T177 T178 A179 A183 T184T177-F181 PolarHBondContact O-N 3.25Å; T178-F181 PolarHBondContact O-N 3.38Å; A179-F181 VanDerWaalsContact C-N 3.32Å; A179-F181 PolarHBondContact O-N 3.15Å; F181-A183 PolarHBondContact O-N 3.17Å; F181-T184 WeakPolarHBondContact O-CB 3.49Å; F181-T184 WeakPolarHBondContact O-CG2 3.25Å; F181-T184 PolarHBondContact O-N 3.22Å; F181-T184 PolarHBondContact O-OG1 3Å
182A72Confident62.7Low58 Ų58124.4 Ų124.448%0.47967%0.672SS.*Hα-helixtrans-62.4-25.4178.400000113.6T178 A179 T184T178-A182 PolarHBondContact O-N 3.32Å; T178-A182 VanDerWaalsContact O-N 3.08Å; A179-A182 PolarHBondContact O-N 3.36Å; A182-T184 VanDerWaalsContact C-N 3.29Å
183A65.1Low62.4Low88 Ų88125 Ų12573%0.72768%0.68SS**THydrogen-bonded Turntrans-76-12.517400000113.9A179 T180 F181A179-A183 PolarHBondContact O-N 3.1Å; T180-A183 PolarHBondContact O-N 3.32Å; F181-A183 PolarHBondContact O-N 3.17Å
184T71.8Confident61.9Low64 Ų64124.8 Ų124.839%0.39368%0.681SS.*SBendtrans-74.8151.1176.771.10000111.2F181 A182 F186 G187F181-T184 WeakPolarHBondContact O-CB 3.49Å; F181-T184 WeakPolarHBondContact O-CG2 3.25Å; F181-T184 PolarHBondContact O-N 3.22Å; F181-T184 PolarHBondContact O-OG1 3Å; A182-T184 VanDerWaalsContact C-N 3.29Å; T184-F186 PolarHBondContact O-N 3.18Å; T184-G187 PolarHBondContact O-N 2.87Å
185K62.1Low61Low202 Ų202120.8 Ų120.888%0.87868%0.677SS**THydrogen-bonded Turntrans-57.5-18-174.1-169.4177176.4-174.90114.9
186F56.9Low60.5Low201 Ų201127.7 Ų127.788%0.88269%0.692SS**THydrogen-bonded Turntrans-100.6-8.4178.9-70.6-85.4000114.1T184T184-F186 PolarHBondContact O-N 3.18Å
187G53.9Low59.1Low19 Ų19123.3 Ų123.320%0.19669%0.686CS.*  trans-902.6-177.600000115.9T184 T189T184-G187 PolarHBondContact O-N 2.87Å; G187-T189 PolarHBondContact O-N 3.14Å
188S55Low57.4Low92 Ų92127.4 Ų127.464%0.64371%0.706SS**  trans-88.793.7-171-162.30000113.7K190S188-K190 PolarHBondContact O-N 3.47Å
189T62.3Low56.3Low138 Ų138131 Ų13185%0.84771%0.711SS**  trans-81.255.1172.548.40000112.8G187 M191G187-T189 PolarHBondContact O-N 3.14Å; T189-M191 PolarHBondContact O-N 2.81Å
190K56.5Low55.2Low192 Ų192134 Ų13484%0.83572%0.721SS**  trans-78.5107.7174.2-112.1-170.2178.9-175.90111.5S188 K192S188-K190 PolarHBondContact O-N 3.47Å; K190-K192 PolarHBondContact O-N 2.96Å
191M53.8Low53.8Low182 Ų182134.3 Ų134.390%0.89773%0.733SS**  trans-67.2128.6172.3-59.8-171.67900111.2T189 N193T189-M191 PolarHBondContact O-N 2.81Å; M191-N193 PolarHBondContact O-N 2.76Å
192K50.4Low52.5Low190 Ų190138.5 Ų138.583%0.82675%0.745SS**  trans-80.7100.3175.5-177.8-172.9175.7-173.10110K190 S194K190-K192 PolarHBondContact O-N 2.96Å; K192-S194 PolarHBondContact O-N 3.22Å
193N48.9Very low51.2Low165 Ų165141.9 Ų141.988%0.88276%0.759SS**  trans-75.2115.6170.4-163.121.9000109.8M191M191-N193 PolarHBondContact O-N 2.76Å
194S40.4Very low50Low93 Ų93143 Ų14365%0.6576%0.762SS**  trans-123.899.917758.10000111.4K192K192-S194 PolarHBondContact O-N 3.22Å
195G39.6Very low48.7Very low71 Ų71146.1 Ų146.173%0.73278%0.783SS**  trans-81.9131.8176.600000113.5
196R46.9Very low47.8Very low245 Ų245142.4 Ų142.493%0.92578%0.778SS**  trans56.9126.2148.6-68.6-177.9173.5165.7-1.2121.3
197S40Very low47.1Very low106 Ų106139 Ų13974%0.74177%0.768SS**  trans78.3110.3142.2-149.20000118.8
198N40.8Very low46.3Very low151 Ų151146.8 Ų146.881%0.80781%0.805SS**  -169.4164.382.8-131.5-17.4000112.9
199K50.1Low45.5Very low199 Ų199145 Ų14587%0.86580%0.801SS**  trans-71.5127.8172.1-65.8175.1176.8177.90111.3
200V47.6Very low44.5Very low134 Ų134146.6 Ų146.681%0.81280%0.803SS**  trans-147.1130.6151.5-173.70000109.5
201A44Very low43.7Very low92 Ų92144.5 Ų144.576%0.7680%0.801SS**  trans-87.6137.8171.300000111.1
202R45.5Very low43.3Very low227 Ų227142 Ų14286%0.85780%0.796SS**  trans-164.988.9168-109.7171.3164.6-167.7-7.5107.9
203T43Very low42.9Very low129 Ų129139.5 Ų139.579%0.79179%0.791SS**  48.4100.489.668.30000113.3
204S40.9Very low42.2Very low111 Ų111138.6 Ų138.678%0.77679%0.787SS**PPolyproline II helixtrans-62.4155.4171.6-40.80000112.3T206S204-T206 PolarHBondContact O-N 3.41Å
205P44.3Very low42.2Very low130 Ų130142.4 Ų142.484%0.84480%0.799SS**PPolyproline II helixtrans-70.6125.4172.228.5-32.6000112.3
206T42.8Very low42.5Very low124 Ų124146.3 Ų146.376%0.76180%0.802SS**PPolyproline II helixtrans-52.1161157.8250000113.1S204S204-T206 PolarHBondContact O-N 3.41Å
207N42.2Very low42.4Very low128 Ų128143.4 Ų143.468%0.68480%0.796SS**  cis-168.7149.3-20.1-142.7-108.4000109.4G209N207-G209 PolarHBondContact OD1-N 2.86Å
208L38.4Very low42.5Very low184 Ų184148 Ų14896%0.96381%0.806SS**  trans-131.3122.2141.6-79165.8000103.2
209G38Very low42.4Very low55 Ų55150.5 Ų150.557%0.56781%0.81SS**  cis151.849.312.100000109.5N207N207-G209 PolarHBondContact OD1-N 2.86Å
210L41.4Very low41.8Very low170 Ų170145.1 Ų145.189%0.8980%0.803SS**  trans-140.7106.2172.3-73.8-179.7000108.8
211N38.3Very low41.3Very low149 Ų149146.5 Ų146.580%0.79780%0.804SS**  trans-97.1117.7179.4-175.410.5000109.7
212V45.9Very low41Very low129 Ų129147.7 Ų147.778%0.78281%0.807SS**  trans-119.595.1168.1-77.50000108.5
213N41.3Very low40.7Very low137 Ų137141.8 Ų141.873%0.73380%0.801SS**  trans-162155.8163.5-95.5-32.9000111.4
214D34.9Very low40.2Very low147 Ų147140.1 Ų140.179%0.78680%0.795SS**  trans66.186.3163.8-61.4-50.5000119.7
215L39.8Very low40.1Very low173 Ų173141.8 Ų141.891%0.90679%0.792SS**  -140.679.5127.8-165.666.7000112.3
216L47.2Very low40Very low153 Ų153144.3 Ų144.380%0.80179%0.792SS**  trans-95.2104.3164.4-167.582.2000109.6
217K43.4Very low39.7Very low183 Ų183143.5 Ų143.580%0.79679%0.791SS**  trans148.8110151.7-83.5157.3-172.3175.90111.8
218Q42.7Very low39.5Very low203 Ų203144 Ų14495%0.94979%0.793SS**  -164.8154.4117.6-108.8175.4-6.600110.7
219K38.9Very low39.7Very low203 Ų203145.7 Ų145.788%0.88379%0.788SS**  trans-109.6148.2-177-68.4-179.4175.4-178.40110.3
220A36.8Very low39.5Very low87 Ų87146.4 Ų146.472%0.71980%0.796SS**  trans62.3126.4148.100000120.1
221L36.6Very low39.1Very low162 Ų162146.9 Ų146.985%0.84880%0.798SS**  162.9148104.2-83176.6000111.9
222S37.8Very low38.9Very low117 Ų117143.3 Ų143.382%0.81880%0.797SS**  trans61.9159.1164.1-74.20000118
223S38.9Very low38.4Very low104 Ų104145.5 Ų145.573%0.72780%0.803SS**  cis-176.4156.5-12.848.40000108
224S34.5Very low37.9Very low94 Ų94142.5 Ų142.566%0.65781%0.805SS**  cis-177.7154.3-1249.40000109.8
225M37.5Very low37.9Very low145 Ų145140.9 Ų140.971%0.71481%0.805SS**  trans72.7145.5172-51.7-66.792.100115.8
226H43Very low37.7Very low183 Ų183140.7 Ų140.785%0.84780%0.8SS**  cis-136.9155.128.4-75.4-98.5000114.9
227S35.7Very low37.2Very low107 Ų107140.3 Ų140.375%0.74879%0.794SS**  trans-97156.3172.4-460000112.2
228L38.4Very low36.9Very low139 Ų139138.8 Ų138.873%0.72879%0.79SS**  trans-158.9115151.9-15249.4000115.1
229Y42.4Very low36.6Very low219 Ų219137.1 Ų137.186%0.85978%0.782SS**  trans55.8146.8170.4-52.1-54.5000119.8
230G34.4Very low36.5Very low71 Ų71134.6 Ų134.673%0.73277%0.773SS**  cis-173.2153.4-1.900000113.4
231L33.4Very low36.5Very low179 Ų179137.5 Ų137.594%0.93777%0.772SS**  trans-47.4155-171.5-90.463.7000119.6
232G32.9Very low36.4Very low75 Ų75136.9 Ų136.977%0.77377%0.765SS**  trans179.4114.515300000115.3
233L34.9Very low36.4Very low174 Ų174138.1 Ų138.191%0.91176%0.757SS**  trans-69.4163.1170.6-73.468.4000110.9
234G31Very low36.3Very low74 Ų74140.2 Ų140.276%0.76376%0.756SS**  cis137.7100.3-100000113.8
235S35.9Very low36.4Very low114 Ų114142.2 Ų142.280%0.79776%0.755SS**  trans-173.1125.2166.144.60000110.2
236Q35.1Very low36.4Very low169 Ų169142.8 Ų142.879%0.7976%0.756SS**  49.3133.3104.1-63.9-171.512.800115.3
237Q36.3Very low36.1Very low144 Ų144144.1 Ų144.167%0.67376%0.759SS**  cis-166.4157.225.4-126.5166.923.300112.7
238Q37.8Very low36.2Very low152 Ų152144.9 Ų144.971%0.7176%0.759SS**  trans51.6133151.4-72.4165.7-7.700121.6
239Q36.7Very low36.2Very low167 Ų167143.6 Ų143.678%0.7876%0.762SS**  61141.266.8-76-176.1-4.800115
240Q36.5Very low36Very low150 Ų150137.3 Ų137.370%0.70176%0.755SS**  cis-168.6146.1-20-154.8176.23200109.7
241Q35.7Very low36Very low149 Ų149142.2 Ų142.270%0.69676%0.764SS**  trans60.2126.9155.1-80.7176.315.100126.1
242Q36.3Very low36.3Very low149 Ų149138.8 Ų138.870%0.69676%0.755SS**  80.7114.9128.9-71.2-171.82200126.4
243Q37.5Very low37.2Very low142 Ų142141 Ų14166%0.66476%0.755SS**  81.5133.2125.4-76.1-161.137.400125
244Q35.6Very low37.1Very low149 Ų149139.6 Ų139.670%0.69675%0.749SS**  trans69.3147.5159.9-65.6-179.850.100116.3
245Q36.8Very low37.5Very low135 Ų135140.8 Ų140.863%0.63175%0.752SS**  cis-154.9161.113.2-137.3175.733.900111.9
246Q38.7Very low37.6Very low157 Ų157143.2 Ų143.273%0.73475%0.748SS**  trans47.3127.9153.1-74.316321.500122.6
247K36.9Very low37.6Very low212 Ų212141.8 Ų141.892%0.92274%0.741SS**  trans-142.2148.1138.2-102.2-174.5-178.4179.70110.6
248T36.8Very low37.8Very low122 Ų122143 Ų14375%0.74874%0.744SS**  trans-121.3164.3-173.348.30000112
249S37.8Very low37.8Very low112 Ų112142.4 Ų142.478%0.78375%0.745SS**  trans74107.5152.6-580000120.9
250A38Very low38.1Very low88 Ų88143.9 Ų143.973%0.72775%0.749SS**  105125.5105.300000122.1
251L36.1Very low38.8Very low173 Ų173142.8 Ų142.891%0.90676%0.755SS**  trans79.4126.6140.6-69.8163.7000122
252S39.7Very low38.8Very low108 Ų108142.9 Ų142.976%0.75576%0.76SS**  trans-77.6164.1165.1-42.20000112.4
253P50.5Low39Very low120 Ų120144.3 Ų144.378%0.77977%0.769SS**  -140.2134.4108.133.2-18.1000113.4
254N32.8Very low39Very low146 Ų146146.6 Ų146.678%0.78178%0.78SS**  67.4107.3100.1-163.3-12.8000115.1
255A40.6Very low39Very low99 Ų99143 Ų14382%0.81878%0.783SS**  trans-113.3140.2166.400000109.8
256K38.1Very low39Very low165 Ų165146.5 Ų146.572%0.71780%0.799SS**  trans-99165.6-171.3-63.2177.3171.2-177.50113.3
257E35.5Very low38.8Very low138 Ų138142.3 Ų142.365%0.64580%0.798SS**  trans68.6141.9158.6-64.1142.2-135.500115.3
258F40.5Very low38.7Very low169 Ų169137.8 Ų137.874%0.74179%0.793SS**  cis-128.5132.516.2-79.8-104.7000110.8
259I37.8Very low38.7Very low140 Ų140138.3 Ų138.372%0.71880%0.796SS**  59.3106.389.3-56176.6000114.9
260F42.4Very low38.5Very low198 Ų198138 Ų13887%0.86879%0.794SS**  trans-112.2142.9154.3-73.3-91.3000108.7
261P51.1Low38.4Very low128 Ų128139.1 Ų139.183%0.83180%0.796SS**  trans-78.5131.4169.831.7-31.5000110.5
262N34.9Very low38.5Very low150 Ų150137.6 Ų137.680%0.80279%0.788SS**  trans-111143.7173.3-165.815.7000110
263M40.3Very low38.5Very low180 Ų180141.8 Ų141.889%0.88779%0.793SS**  trans-84.6130.1178.6-76.2-172.271.800112.2
264Q37.3Very low38.5Very low190 Ų190141.8 Ų141.889%0.88879%0.793SS**  trans-139.3148.5159.1-72.6170.8-54.100106.4
265G35.6Very low38.5Very low74 Ų74138 Ų13876%0.76379%0.788SS**  cis-173.9-175.5-0.800000111.2
266Q38.6Very low38.3Very low208 Ų208141 Ų14197%0.97279%0.791SS**  trans-29.9149.7177.9-62.3166.2-25.800118.8
267G33Very low38.3Very low68 Ų68138.6 Ų138.670%0.70179%0.794SS**  trans148.680.2143.300000120.6
268S36.3Very low39.5Very low117 Ų117137.4 Ų137.482%0.81880%0.798SS**  trans57.3143.1133.2-49.60000124.8
269T35.5Very low39.2Very low133 Ų133136.7 Ų136.782%0.81680%0.802SS**  trans89112154.961.20000123.1
270S33.5Very low39.1Very low105 Ų105136.6 Ų136.673%0.73480%0.803SS**  trans57.9110.3134.962.70000124
271S36.7Very low38.7Very low112 Ų112135 Ų13578%0.78380%0.802SS**  -178.4115.9129.722.20000108.4
272I37Very low38Very low141 Ų141133.6 Ų133.672%0.72380%0.795SS**  73.296.176.4-65.3168.6000114
273F40.2Very low38.6Very low197 Ų197131.8 Ų131.886%0.86479%0.792SS**  163.2167.7122.6-95.2-43.1000113
274P50.7Low38.2Very low119 Ų119130.2 Ų130.277%0.77379%0.786SS**  trans-125.8-171-142.241.9-22.9000114.5
275G33.4Very low38Very low66 Ų66128.8 Ų128.868%0.6878%0.78SS**  trans160.876.5165.900000116.8
276D34.9Very low37.9Very low164 Ų164136.1 Ų136.188%0.87779%0.786SS**  trans34.6127.2142.9-51.4-37.7000123.4
277S38.3Very low37.6Very low113 Ų113130.4 Ų130.479%0.7977%0.769SS**  trans-78.3-165161.4-31.80000111.7
278P60.8Low37.8Very low113 Ų113134.6 Ų134.673%0.73478%0.775SS**  cis-134-145.2-17.237.5-15.6000112.5
279L34.5Very low37.7Very low155 Ų155132.3 Ų132.381%0.81276%0.763SS**  trans97.495.4172.1-51.6-175.1000114.2
280N35.5Very low37.6Very low138 Ų138135.5 Ų135.574%0.73877%0.766SS**  66.2111.660.2-165.38.9000114.3
281L33.9Very low37.6Very low165 Ų165138.2 Ų138.286%0.86477%0.772SS**  177.3123.4128.1-94.2162.9000112.8
282S36.2Very low37.5Very low98 Ų98141.7 Ų141.769%0.68578%0.779SS**  trans-78.4-175.9158-42.70000109.4
283P48.9Very low37.3Very low111 Ų111144.9 Ų144.972%0.72179%0.788SS**  cis-148.5-156.518.341.6-16.9000116.6
284L31.5Very low37.3Very low147 Ų147140.2 Ų140.277%0.7779%0.785SS**  trans100.2121167.9-55.4177.3000115.8
285Q32Very low36.7Very low161 Ų161139 Ų13975%0.75279%0.786SS**  cis110.198.511.9-171.8-179.16.700113.9
286Y34.8Very low36.9Very low227 Ų227147.2 Ų147.289%0.8980%0.798SS**  trans-174102.2151.5-109.1-78.4000105.2
287S32.5Very low36.7Very low89 Ų89143.1 Ų143.162%0.62280%0.795SS**  74.198.754.5-164.80000114.5
288N35.7Very low36.4Very low155 Ų155141.2 Ų141.283%0.82979%0.793SS**  trans162.5151.4137.9-80.4-23.2000109.2
289A34.7Very low35.2Very low69 Ų69143.6 Ų143.657%0.5780%0.799SS**  cis-169.4160.8-28.100000106.7
290F33.2Very low35.1Very low201 Ų201142.3 Ų142.388%0.88279%0.792SS**  trans68.4115.6-170.5-48.6-81.4000112.9
291D34.5Very low35Very low161 Ų161141.7 Ų141.786%0.86179%0.785SS**  cis-146.914042.7-101.2-42.8000113
292M35.3Very low35.1Very low186 Ų186141.6 Ų141.692%0.91678%0.778SS**  trans-152.780.3168.4-175.7178.3169.600111
293F32.2Very low35.3Very low207 Ų207141.9 Ų141.991%0.90878%0.78SS**  trans-160.799153.6-149-95.1000113.8
294A40.2Very low34.8Very low99 Ų99145.7 Ų145.782%0.81879%0.785SS**  trans17469.1147.800000110.9
295A37.3Very low35.6Very low95 Ų95145.5 Ų145.579%0.78579%0.79SS**  trans-120.981.317400000111.2
296Y38.2Very low35.8Very low237 Ų237144.7 Ų144.793%0.92979%0.791SS**  trans-155.4129.2160-86.2-85.7000105.1
297G30.9Very low36Very low79 Ų79137.1 Ų137.181%0.81478%0.782SS**  cis136.4109.32.900000109.5
298G31.3Very low36.5Very low73 Ų73139.9 Ų139.975%0.75379%0.789SS**  trans140.1115.2164.900000118.4
299L36.2Very low36.4Very low163 Ų163139.2 Ų139.285%0.85379%0.785SS**  trans93.8120.6137-61.9173.9000121.4
300N32.3Very low36.7Very low127 Ų127144 Ų14468%0.67979%0.793SS**  trans56.9145.5140.2-79.826.6000120.9
301E33.3Very low37Very low126 Ų126138.3 Ų138.359%0.58978%0.778SS**  cis-155.5161.3-14.2-132.9179.5155.900111.6
302K36.6Very low37.4Very low162 Ų162138.8 Ų138.870%0.70478%0.78SS**  trans-5.6132.5158.4-61.8155-165.9156.50118.9
303S39.4Very low37.5Very low105 Ų105136.8 Ų136.873%0.73477%0.773SS**  55.6106.2127.7-48.20000119.9
304F39.8Very low37.9Very low190 Ų190133.7 Ų133.783%0.83377%0.766SS**  -148.4108.9129.8-115.6-78.6000110D306F304-D306 HydrophobicContact CD1-CB 4.41Å
305V47.2Very low37.9Very low143 Ų143137.7 Ų137.787%0.86777%0.77SS**  trans-104.3107.9163.2-76.70000106.6
306D36Very low38.1Very low145 Ų145141.4 Ų141.478%0.77577%0.771SS**  trans-146.8143167.5-103.8-44.2000109.9F304F304-D306 HydrophobicContact CD1-CB 4.41Å
307G38.8Very low38.1Very low67 Ų67140 Ų14069%0.69177%0.766SS**  trans-92.8155.9-155.500000115.5
308L43Very low38.8Very low148 Ų148141.1 Ų141.178%0.77576%0.761SS**  trans-123.381159.8-71.2178000109.9F310L308-F310 HydrophobicContact CB-CD2 4.28Å; L308-F310 HydrophobicContact CB-CE2 3.77Å; L308-F310 HydrophobicContact CB-CZ 4.37Å; L308-F310 HydrophobicContact CD1-CE2 4.25Å; L308-F310 HydrophobicContact CD1-CZ 4.38Å; L308-F310 HydrophobicContact CG-CE2 4.48Å; L308-F310 PolarHBondContact O-N 3.12Å
309N33.1Very low39.3Very low140 Ų140145.2 Ų145.275%0.74977%0.766SS**  trans-77.29916817717.3000109.4S311N309-S311 PolarHBondContact O-N 3.37Å
310F42.2Very low39.9Very low170 Ų170145.5 Ų145.575%0.74676%0.763SS**  trans-84.284.8174.5-73.2-75.5000111.4L308 L312L308-F310 HydrophobicContact CB-CD2 4.28Å; L308-F310 HydrophobicContact CB-CE2 3.77Å; L308-F310 HydrophobicContact CB-CZ 4.37Å; L308-F310 HydrophobicContact CD1-CE2 4.25Å; L308-F310 HydrophobicContact CD1-CZ 4.38Å; L308-F310 HydrophobicContact CG-CE2 4.48Å; L308-F310 PolarHBondContact O-N 3.12Å; F310-L312 PolarHBondContact O-N 2.85Å
311S38.8Very low40.5Very low81 Ų81148.4 Ų148.457%0.56677%0.772SS**  trans-69.4106.3170.2-63.30000111.1N309 N313N309-S311 PolarHBondContact O-N 3.37Å; S311-N313 PolarHBondContact O-N 2.85Å
312L44.2Very low41.1Very low172 Ų172152.2 Ų152.290%0.90179%0.787SS**  trans-67.7109163.4-102.883.1000109.4F310F310-L312 PolarHBondContact O-N 2.85Å
313N35.9Very low42Very low144 Ų144152.6 Ų152.677%0.7779%0.791SS**  trans-126.5127.5167.9-99.9-42.7000110.2S311S311-N313 PolarHBondContact O-N 2.85Å
314N40.9Very low42.9Very low142 Ų142153.1 Ų153.176%0.75979%0.792SS**  trans30.294.9165.5-73.54.9000118.9Q316N314-Q316 PolarHBondContact O-N 2.78Å
315M41.2Very low43.6Very low182 Ų182150.9 Ų150.990%0.89779%0.794SS**  trans-83.399.1142.6-93.9-164.7163.600109.5Y317M315-Y317 PolarHBondContact O-N 3.3Å
316Q41.3Very low43.8Very low174 Ų174152.6 Ų152.681%0.81380%0.795SS**  trans-83.5110.2176.3-173.8170.4-4.800109.8N314 S318N314-Q316 PolarHBondContact O-N 2.78Å; Q316-S318 PolarHBondContact O-N 2.94Å
317Y38.8Very low44.4Very low208 Ų208150.3 Ų150.382%0.81680%0.796SS**  trans-66.2124.2178-84.4-94.7000111.6M315 N319M315-Y317 PolarHBondContact O-N 3.3Å; Y317-N319 PolarHBondContact O-N 3.25Å
318S44.4Very low45.1Very low102 Ų102158.7 Ų158.771%0.71383%0.825SS**  trans-68.7123169.9174.10000110.4Q316 Q320Q316-S318 PolarHBondContact O-N 2.94Å; S318-Q320 PolarHBondContact O-N 3Å
319N42.6Very low45.2Very low159 Ų159159.3 Ų159.385%0.8583%0.828SS**  trans-77.1100.1170.5-92.3-105.3000109.5Y317Y317-N319 PolarHBondContact O-N 3.25Å
320Q48Very low45.8Very low169 Ų169160.3 Ų160.379%0.7983%0.832SS**PPolyproline II helixtrans-90.3125.6162.1-74.4-164.95.600110.4S318S318-Q320 PolarHBondContact O-N 3Å
321Q44.5Very low46Very low187 Ų187159.7 Ų159.787%0.87484%0.836SS**PPolyproline II helixtrans-82.3128.4171.3-68.8174.8-21.900109.6
322F46.9Very low46.4Very low206 Ų206164.4 Ų164.490%0.90485%0.852SS**PPolyproline II helixtrans-74.1129.3173.8-83.9-95.3000111.1
323Q55.2Low46.6Very low170 Ų170163.9 Ų163.979%0.79485%0.849SS**PPolyproline II helixtrans-86.9132.6166.6-74.6-82.6-23.300109.4
324P57.9Low47.3Very low116 Ų116165.2 Ų165.275%0.75386%0.855SS**PPolyproline II helixtrans-76.7124.7174.930.3-32.3000110.9
325V55.7Low47.7Very low144 Ų144166.9 Ų166.987%0.87386%0.861SS**PPolyproline II helixtrans-79.7122.7174.3-179.70000109.3
326M50.6Low48.2Very low178 Ų178165.7 Ų165.788%0.87786%0.859SS**PPolyproline II helixtrans-74.8132.5169.3-73.4-174.6-79.400110.2
327A48.2Very low48.8Very low97 Ų97165 Ų16580%0.80286%0.862SS**PPolyproline II helixtrans-81.4137.9168.900000110.4
328N53Low49.7Very low244 Ų244161.1 Ų161.1100%1.30587%0.867SS**  trans-111.90160-89.8-28.5000107.9

Retrieved 328 of 328 residues in 66.3 ms (Link to these results)

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