A0A087YS92_POEFO Loading...

Transducer of ERBB2, 1a

AlphaFold DB (M4AZE4), UniProt , Accession A0A087YS92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 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
1M96.1Very high98.3Very high57 Ų5749.4 Ų49.428%0.28125%0.248SC..  0-59.80-165.2173.475.700114L3 E4 I5 Y40 W44M1-L3 PolarHBondContact O-N 3.04Å; M1-E4 WeakPolarHBondContact CA-OE2 3.19Å; M1-E4 PolarHBondContact N-OE1 3.42Å; M1-E4 PolarHBondContact N-OE2 3.5Å; M1-E4 PolarHBondContact O-N 3.44Å; M1-I5 HydrophobicContact CG-CD1 3.89Å; M1-I5 HydrophobicContact CG-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 2.97Å; M1-Y40 HydrophobicContact CG-CD2 4.5Å; M1-Y40 HydrophobicContact SD-CD2 4.38Å; M1-W44 HydrophobicContact CB-CD2 3.77Å; M1-W44 VanDerWaalsContact CB-CE2 3.49Å; M1-W44 HydrophobicContact CB-CE3 4.25Å; M1-W44 HydrophobicContact CB-CG 4.22Å; M1-W44 HydrophobicContact CB-CH2 4.23Å; M1-W44 HydrophobicContact CB-CZ2 3.73Å; M1-W44 HydrophobicContact CB-CZ3 4.46Å; M1-W44 HydrophobicContact CG-CD2 3.7Å; M1-W44 HydrophobicContact CG-CE3 3.69Å; M1-W44 HydrophobicContact CG-CG 4.3Å; M1-W44 HydrophobicContact CG-CH2 4.11Å; M1-W44 HydrophobicContact CG-CZ2 4.1Å; M1-W44 HydrophobicContact CG-CZ3 3.91Å; M1-W44 HydrophobicContact SD-CB 4.14Å; M1-W44 HydrophobicContact SD-CD2 3.91Å; M1-W44 HydrophobicContact SD-CE3 3.94Å; M1-W44 HydrophobicContact SD-CG 4.02Å
2Q97.4Very high98.3Very high118 Ų11845.7 Ų45.755%0.55123%0.229SC*.Hα-helixtrans-64.7-38.6-171.2-175.8170.31.500113.1I5 Q6Q2-I5 PolarHBondContact O-N 3.07Å; Q2-Q6 WeakPolarHBondContact O-CG 3.23Å; Q2-Q6 PolarHBondContact O-N 3.06Å
3L97.9Very high98.3Very high97 Ų9743.8 Ų43.851%0.50822%0.22SC..Hα-helixtrans-63.1-46.2177.3175.961.1000111.2M1 I5 Q6 V7 Y113M1-L3 PolarHBondContact O-N 3.04Å; L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 3.09Å; L3-Q6 WeakPolarHBondContact O-CB 3.36Å; L3-Q6 PolarHBondContact O-N 3.13Å; L3-Q6 VanDerWaalsContact O-N 3.07Å; L3-V7 WeakPolarHBondContact O-CG2 3.46Å; L3-V7 PolarHBondContact O-N 2.88Å; L3-Y113 HydrophobicContact CD2-CE2 4.17Å; L3-Y113 WeakPolarHBondContact CD2-OH 3.38Å
4E98.6Very high98.3Very high16 Ų1645 Ų458%0.07524%0.235CC..Hα-helixtrans-62.2-42.1-180-5993.3134.500110.8M1 Q6 V7 A8 W44 I94 V99 Y113M1-E4 WeakPolarHBondContact CA-OE2 3.19Å; M1-E4 PolarHBondContact N-OE1 3.42Å; M1-E4 PolarHBondContact N-OE2 3.5Å; M1-E4 PolarHBondContact O-N 3.44Å; E4-Q6 PolarHBondContact O-N 3.3Å; E4-V7 PolarHBondContact O-N 3.16Å; E4-A8 PolarHBondContact O-N 3.27Å; E4-A8 VanDerWaalsContact O-N 3.08Å; E4-W44 HydrophobicContact CB-CH2 4.22Å; E4-W44 HydrophobicContact CG-CH2 4.4Å; E4-W44 HydrophobicContact CG-CZ2 4.48Å; E4-W44 WeakPolarHBondContact OE1-CZ2 3.38Å; E4-I94 HydrophobicContact CB-CG2 3.81Å; E4-V99 HydrophobicContact CB-CG2 3.57Å; E4-V99 HydrophobicContact CG-CG2 4.14Å; E4-V99 WeakPolarHBondContact O-CG2 3.27Å; E4-Y113 HydrophobicContact CG-CD1 4.1Å; E4-Y113 HydrophobicContact CG-CE1 3.87Å
5I98.8Very high98.3Very high0 Ų046.9 Ų46.90%024%0.239CC..Hα-helixtrans-59.2-46.3171.5-71.2173.5000110.7M1 Q2 L3 V7 A8 L9 E33 L36 K37 Y40 I94M1-I5 HydrophobicContact CG-CD1 3.89Å; M1-I5 HydrophobicContact CG-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 2.97Å; Q2-I5 PolarHBondContact O-N 3.07Å; L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 3.09Å; I5-V7 PolarHBondContact O-N 2.86Å; I5-A8 PolarHBondContact O-N 3.34Å; I5-L9 HydrophobicContact CG2-CD1 3.65Å; I5-L9 HydrophobicContact CG2-CG 4.11Å; I5-L9 WeakPolarHBondContact O-CB 3.26Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.49Å; I5-E33 HydrophobicContact CG2-CG 4.07Å; I5-L36 HydrophobicContact CD1-CB 4.24Å; I5-L36 HydrophobicContact CG2-CB 4.48Å; I5-L36 HydrophobicContact CG2-CD1 4.24Å; I5-K37 HydrophobicContact CD1-CG 3.9Å; I5-Y40 HydrophobicContact CD1-CD2 4.07Å; I5-Y40 HydrophobicContact CD1-CE2 4.36Å; I5-Y40 HydrophobicContact CG1-CD2 4.32Å; I5-Y40 HydrophobicContact CG1-CE2 4.17Å; I5-I94 HydrophobicContact CG1-CG2 4.35Å
6Q98.6Very high98.3Very high78 Ų7844 Ų4436%0.36422%0.224SC..Hα-helixtrans-63.3-38.9-179.8-73.2-66.2-32.400112.9Q2 L3 E4 L9 N10 E33Q2-Q6 WeakPolarHBondContact O-CG 3.23Å; Q2-Q6 PolarHBondContact O-N 3.06Å; L3-Q6 WeakPolarHBondContact O-CB 3.36Å; L3-Q6 PolarHBondContact O-N 3.13Å; L3-Q6 VanDerWaalsContact O-N 3.07Å; E4-Q6 PolarHBondContact O-N 3.3Å; Q6-L9 PolarHBondContact O-N 3.33Å; Q6-N10 WeakPolarHBondContact O-CB 3.44Å; Q6-N10 PolarHBondContact O-N 2.81Å; Q6-E33 PolarHBondContact NE2-OE1 2.86Å; Q6-E33 PolarHBondContact NE2-OE2 3.35Å
7V98.8Very high98.3Very high37 Ų3744.6 Ų44.622%0.22422%0.223CC..Hα-helixtrans-60.5-50.3174.3171.70000110.6L3 E4 I5 L9 N10 F11 V99 L112 Y113L3-V7 WeakPolarHBondContact O-CG2 3.46Å; L3-V7 PolarHBondContact O-N 2.88Å; E4-V7 PolarHBondContact O-N 3.16Å; I5-V7 PolarHBondContact O-N 2.86Å; V7-L9 PolarHBondContact O-N 2.97Å; V7-N10 PolarHBondContact O-N 2.9Å; V7-F11 PolarHBondContact O-N 3.47Å; V7-F11 VanDerWaalsContact O-N 3.09Å; V7-V99 HydrophobicContact CB-CG2 4.37Å; V7-V99 HydrophobicContact CG1-CB 4.26Å; V7-V99 HydrophobicContact CG1-CG1 4.32Å; V7-V99 HydrophobicContact CG1-CG2 4.43Å; V7-L112 HydrophobicContact CG1-CB 3.83Å; V7-Y113 HydrophobicContact CG2-CG 4.39Å
8A98.8Very high98.2Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-62.8-41.9179.200000112.3E4 I5 F11 I12 V92 I94 V99E4-A8 PolarHBondContact O-N 3.27Å; E4-A8 VanDerWaalsContact O-N 3.08Å; I5-A8 PolarHBondContact O-N 3.34Å; A8-F11 WeakPolarHBondContact O-CB 3.3Å; A8-F11 PolarHBondContact O-N 3.34Å; A8-I12 WeakPolarHBondContact O-CG1 3.44Å; A8-I12 PolarHBondContact O-N 3.5Å; A8-V92 HydrophobicContact CB-CG1 4.13Å; A8-I94 HydrophobicContact CB-CD1 3.3Å; A8-I94 HydrophobicContact CB-CG1 3.8Å; A8-V99 HydrophobicContact CB-CG1 3.94Å
9L98.7Very high98.2Very high6 Ų656.3 Ų56.33%0.03128%0.279CS..Hα-helixtrans-59.5-50.7176.6-76.1170.3000111.3I5 Q6 V7 F11 I12 I13 L32 E33 L36I5-L9 HydrophobicContact CG2-CD1 3.65Å; I5-L9 HydrophobicContact CG2-CG 4.11Å; I5-L9 WeakPolarHBondContact O-CB 3.26Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.49Å; Q6-L9 PolarHBondContact O-N 3.33Å; V7-L9 PolarHBondContact O-N 2.97Å; L9-F11 VanDerWaalsContact C-N 3.25Å; L9-F11 PolarHBondContact O-N 3.26Å; L9-I12 PolarHBondContact O-N 2.97Å; L9-I12 VanDerWaalsContact O-N 3.15Å; L9-I13 VanDerWaalsContact O-CG1 3.24Å; L9-I13 WeakPolarHBondContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG2 2.93Å; L9-I13 PolarHBondContact O-N 3.03Å; L9-L32 HydrophobicContact CD2-CB 3.78Å; L9-L32 HydrophobicContact CD2-CD2 3.6Å; L9-L32 HydrophobicContact CD2-CG 3.56Å; L9-E33 HydrophobicContact CD1-CB 3.46Å; L9-E33 VanDerWaalsContact CD1-CB 3.46Å; L9-E33 HydrophobicContact CD1-CG 3.76Å; L9-L36 HydrophobicContact CD2-CD1 4.33Å
10N98.5Very high98.2Very high109 Ų10954.4 Ų54.458%0.58327%0.27SS*.Hα-helixtrans-58-42.1-180-171.520.1000111.2Q6 V7 S14Q6-N10 WeakPolarHBondContact O-CB 3.44Å; Q6-N10 PolarHBondContact O-N 2.81Å; V7-N10 PolarHBondContact O-N 2.9Å; N10-S14 VanDerWaalsContact O-CB 3.27Å; N10-S14 WeakPolarHBondContact O-CB 3.13Å; N10-S14 PolarHBondContact O-N 2.95Å; N10-S14 VanDerWaalsContact O-N 3.1Å
11F98.8Very high98.2Very high25 Ų2555.7 Ų55.711%0.1128%0.283CS..Hα-helixtrans-59.4-52.3173.7171.8-105000112.1V7 A8 L9 S14 Y15 L90 V92 Y101 L112V7-F11 PolarHBondContact O-N 3.47Å; V7-F11 VanDerWaalsContact O-N 3.09Å; A8-F11 WeakPolarHBondContact O-CB 3.3Å; A8-F11 PolarHBondContact O-N 3.34Å; L9-F11 VanDerWaalsContact C-N 3.25Å; L9-F11 PolarHBondContact O-N 3.26Å; F11-S14 WeakPolarHBondContact O-CB 3.31Å; F11-S14 PolarHBondContact O-N 3.44Å; F11-S14 PolarHBondContact O-OG 3.24Å; F11-Y15 HydrophobicContact CD2-CE2 4.17Å; F11-Y15 HydrophobicContact CE1-CE2 4.16Å; F11-Y15 AromaticContact CE2-CE2 3.69Å; F11-Y15 HydrophobicContact CE2-CE2 3.69Å; F11-Y15 AromaticContact CZ-CE2 3.69Å; F11-Y15 HydrophobicContact CZ-CE2 3.69Å; F11-Y15 VanDerWaalsContact O-CD2 3.3Å; F11-Y15 WeakPolarHBondContact O-CD2 3.4Å; F11-L90 HydrophobicContact CE1-CD1 3.93Å; F11-L90 HydrophobicContact CE1-CD2 4.37Å; F11-L90 HydrophobicContact CZ-CD1 4.26Å; F11-V92 HydrophobicContact CD1-CG2 4.36Å; F11-V92 HydrophobicContact CE1-CG2 4.13Å; F11-Y101 HydrophobicContact CE1-CD2 4.14Å; F11-Y101 HydrophobicContact CE1-CG 4.01Å; F11-Y101 HydrophobicContact CE2-CD1 4.38Å; F11-Y101 HydrophobicContact CE2-CD2 4.33Å; F11-Y101 HydrophobicContact CE2-CE1 4.17Å; F11-Y101 HydrophobicContact CE2-CE2 4.15Å; F11-Y101 HydrophobicContact CE2-CG 4.43Å; F11-Y101 HydrophobicContact CZ-CD1 4.12Å; F11-Y101 AromaticContact CZ-CD2 3.54Å; F11-Y101 HydrophobicContact CZ-CD2 3.54Å; F11-Y101 HydrophobicContact CZ-CE1 4.26Å; F11-Y101 AromaticContact CZ-CE2 3.74Å; F11-Y101 HydrophobicContact CZ-CE2 3.74Å; F11-Y101 AromaticContact CZ-CG 3.73Å; F11-Y101 HydrophobicContact CZ-CG 3.73Å; F11-L112 HydrophobicContact CB-CD1 3.69Å; F11-L112 HydrophobicContact CB-CD2 4.49Å; F11-L112 HydrophobicContact CD1-CD1 3.75Å; F11-L112 HydrophobicContact CD2-CD1 3.93Å; F11-L112 HydrophobicContact CD2-CD2 3.74Å; F11-L112 HydrophobicContact CE1-CD1 4.36Å; F11-L112 HydrophobicContact CE2-CD2 4.19Å; F11-L112 HydrophobicContact CG-CD1 3.5Å; F11-L112 HydrophobicContact CG-CD2 4.17Å
12I98.6Very high98.3Very high5 Ų560.7 Ų60.73%0.02630%0.298CS..Hα-helixtrans-63.2-51.3-177.8-67.2166.7000111.4A8 L9 S14 Y15 F28 L32 I58 L86 V92A8-I12 WeakPolarHBondContact O-CG1 3.44Å; A8-I12 PolarHBondContact O-N 3.5Å; L9-I12 PolarHBondContact O-N 2.97Å; L9-I12 VanDerWaalsContact O-N 3.15Å; I12-S14 PolarHBondContact O-N 3.5Å; I12-Y15 PolarHBondContact O-N 3.49Å; I12-F28 HydrophobicContact CG2-CE1 4.46Å; I12-L32 HydrophobicContact CD1-CD2 4.35Å; I12-L32 HydrophobicContact CG2-CD2 4.35Å; I12-I58 HydrophobicContact CD1-CD1 4.06Å; I12-L86 HydrophobicContact CG2-CD2 4.02Å; I12-V92 HydrophobicContact CD1-CG2 4.48Å; I12-V92 HydrophobicContact CG1-CG2 4.49Å
13I98.2Very high98.4Very high21 Ų2163.5 Ų63.511%0.10830%0.304CS..Hα-helixtrans-69.6-19.8-175.971-173.6000112.6L9 Y15 L16 Y17 V25 F28L9-I13 VanDerWaalsContact O-CG1 3.24Å; L9-I13 WeakPolarHBondContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG2 2.93Å; L9-I13 PolarHBondContact O-N 3.03Å; I13-Y15 PolarHBondContact O-N 2.89Å; I13-L16 PolarHBondContact O-N 3.03Å; I13-Y17 HydrophobicContact CB-CE2 4.28Å; I13-Y17 HydrophobicContact CD1-CE2 3.86Å; I13-Y17 HydrophobicContact CG1-CD2 4.33Å; I13-Y17 HydrophobicContact CG1-CE2 3.68Å; I13-Y17 VanDerWaalsContact O-CD2 3.26Å; I13-Y17 WeakPolarHBondContact O-CD2 3.38Å; I13-Y17 PolarHBondContact O-N 2.92Å; I13-Y17 VanDerWaalsContact O-N 3.1Å; I13-V25 HydrophobicContact CB-CG1 4.2Å; I13-F28 HydrophobicContact CG2-CD1 4.13Å; I13-F28 HydrophobicContact CG2-CE1 4.39Å
14S98.6Very high98.4Very high61 Ų6164 Ų6443%0.42730%0.299SS..Hα-helixtrans-59-32.4175.876.50000112.9N10 F11 I12 L16N10-S14 VanDerWaalsContact O-CB 3.27Å; N10-S14 WeakPolarHBondContact O-CB 3.13Å; N10-S14 PolarHBondContact O-N 2.95Å; N10-S14 VanDerWaalsContact O-N 3.1Å; F11-S14 WeakPolarHBondContact O-CB 3.31Å; F11-S14 PolarHBondContact O-N 3.44Å; F11-S14 PolarHBondContact O-OG 3.24Å; I12-S14 PolarHBondContact O-N 3.5Å; S14-L16 VanDerWaalsContact C-N 3.32Å
15Y98.6Very high98.4Very high74 Ų7463.3 Ų63.329%0.2930%0.296SS..THydrogen-bonded Turntrans-72.9-24.8175.7-69.3-81000113.3F11 I12 I13 L86 P87F11-Y15 HydrophobicContact CD2-CE2 4.17Å; F11-Y15 HydrophobicContact CE1-CE2 4.16Å; F11-Y15 AromaticContact CE2-CE2 3.69Å; F11-Y15 HydrophobicContact CE2-CE2 3.69Å; F11-Y15 AromaticContact CZ-CE2 3.69Å; F11-Y15 HydrophobicContact CZ-CE2 3.69Å; F11-Y15 VanDerWaalsContact O-CD2 3.3Å; F11-Y15 WeakPolarHBondContact O-CD2 3.4Å; I12-Y15 PolarHBondContact O-N 3.49Å; I13-Y15 PolarHBondContact O-N 2.89Å; Y15-L86 HydrophobicContact CD2-CD2 4.29Å; Y15-L86 HydrophobicContact CG-CD2 4.36Å; Y15-P87 HydrophobicContact CD1-CG 4.02Å; Y15-P87 HydrophobicContact CE1-CG 3.53Å; Y15-P87 HydrophobicContact CE2-CG 4.1Å
16L98.6Very high98.4Very high0 Ų066 Ų660%031%0.31CS..THydrogen-bonded Turntrans-89.8-27.6-176.5-52.8-175.7000112I13 S14 K19 L20 V25 F28 V82 N85 L86I13-L16 PolarHBondContact O-N 3.03Å; S14-L16 VanDerWaalsContact C-N 3.32Å; L16-K19 PolarHBondContact O-N 3.01Å; L16-L20 HydrophobicContact CB-CD1 4.31Å; L16-L20 HydrophobicContact CD2-CD1 4.08Å; L16-L20 PolarHBondContact O-N 3.41Å; L16-V25 HydrophobicContact CB-CG1 3.93Å; L16-V25 HydrophobicContact CB-CG2 4Å; L16-F28 HydrophobicContact CD1-CD1 3.82Å; L16-F28 HydrophobicContact CD1-CE1 3.74Å; L16-F28 HydrophobicContact CD1-CG 4.48Å; L16-F28 HydrophobicContact CD1-CZ 4.35Å; L16-V82 HydrophobicContact CD1-CG1 4.29Å; L16-V82 HydrophobicContact CD2-CG1 4.3Å; L16-N85 HydrophobicContact CD2-CB 3.91Å; L16-L86 HydrophobicContact CD2-CD2 4.3Å; L16-L86 HydrophobicContact CD2-CG 4.24Å
17Y97.8Very high98.4Very high55 Ų5563.7 Ų63.722%0.21630%0.3CS..THydrogen-bonded Turntrans-60.9143.6175.6-77-55.5000111.7I13 K19 R22 V25 N26I13-Y17 HydrophobicContact CB-CE2 4.28Å; I13-Y17 HydrophobicContact CD1-CE2 3.86Å; I13-Y17 HydrophobicContact CG1-CD2 4.33Å; I13-Y17 HydrophobicContact CG1-CE2 3.68Å; I13-Y17 VanDerWaalsContact O-CD2 3.26Å; I13-Y17 WeakPolarHBondContact O-CD2 3.38Å; I13-Y17 PolarHBondContact O-N 2.92Å; I13-Y17 VanDerWaalsContact O-N 3.1Å; Y17-K19 PolarHBondContact O-N 3.35Å; Y17-K19 VanDerWaalsContact O-N 3.09Å; Y17-R22 HydrophobicContact CD1-CG 4.46Å; Y17-R22 HydrophobicContact CE1-CG 4.23Å; Y17-V25 HydrophobicContact CD1-CB 4.36Å; Y17-V25 HydrophobicContact CD1-CG1 3.88Å; Y17-V25 HydrophobicContact CE1-CB 4.19Å; Y17-V25 HydrophobicContact CE1-CG1 3.71Å; Y17-V25 HydrophobicContact CE2-CG1 4.5Å; Y17-V25 HydrophobicContact CG-CG1 4.34Å; Y17-N26 WeakPolarHBondContact CE1-OD1 3.26Å; Y17-N26 PolarHBondContact OH-OD1 2.78Å; Y17-N26 VanDerWaalsContact OH-OD1 3.14Å
18N96.6Very high98.4Very high163 Ų16362 Ų6287%0.87229%0.289SS*.THydrogen-bonded Turntrans63.64.1-175.9-46-50.7000115
19K97.8Very high98.4Very high147 Ų14762.4 Ų62.464%0.63929%0.294SS*.THydrogen-bonded Turntrans-115-41.5174.7-58.8-62-175.4176.10111.9L16 Y17 N85L16-K19 PolarHBondContact O-N 3.01Å; Y17-K19 PolarHBondContact O-N 3.35Å; Y17-K19 VanDerWaalsContact O-N 3.09Å; K19-N85 VanDerWaalsContact CB-OD1 3.26Å; K19-N85 WeakPolarHBondContact CB-OD1 3.35Å; K19-N85 WeakPolarHBondContact CG-OD1 3.48Å
20L98.3Very high98.4Very high19 Ų1968 Ų6810%0.09932%0.32CS..SBendtrans-112.9162.4179.3-57.6-178.4000111.5L16 R22 V25 L77 D81 V82L16-L20 HydrophobicContact CB-CD1 4.31Å; L16-L20 HydrophobicContact CD2-CD1 4.08Å; L16-L20 PolarHBondContact O-N 3.41Å; L20-R22 PolarHBondContact O-N 2.95Å; L20-R22 VanDerWaalsContact O-N 3.08Å; L20-V25 HydrophobicContact CB-CG2 3.68Å; L20-L77 HydrophobicContact CB-CD2 4.31Å; L20-L77 HydrophobicContact CD1-CD1 4.11Å; L20-L77 HydrophobicContact CD1-CD2 4.27Å; L20-D81 HydrophobicContact CD2-CB 4.02Å; L20-V82 HydrophobicContact CD1-CG2 4.19Å
21P98.5Very high98.5Very high82 Ų8265 Ų6553%0.53230%0.303SS..  trans-57116.5-179.8-2534.2000111.8R23 R24 V25P21-R23 VanDerWaalsContact C-N 3.27Å; P21-R23 PolarHBondContact O-N 2.98Å; P21-R23 VanDerWaalsContact O-N 3.08Å; P21-R24 HydrophobicContact CB-CB 4.19Å; P21-R24 HydrophobicContact CB-CG 3.94Å; P21-R24 HydrophobicContact CG-CG 4.5Å; P21-R24 WeakPolarHBondContact O-CA 3.32Å; P21-R24 WeakPolarHBondContact O-CB 3.14Å; P21-R24 PolarHBondContact O-N 2.83Å; P21-V25 PolarHBondContact O-N 2.96Å
22R98.4Very high98.5Very high161 Ų16163.9 Ų63.961%0.60830%0.297SS*.Hα-helixtrans-48.8-44.8-173.1-178.6177.6175.577.72.5113.7Y17 L20 R24 V25 N26Y17-R22 HydrophobicContact CD1-CG 4.46Å; Y17-R22 HydrophobicContact CE1-CG 4.23Å; L20-R22 PolarHBondContact O-N 2.95Å; L20-R22 VanDerWaalsContact O-N 3.08Å; R22-R24 VanDerWaalsContact C-N 3.26Å; R22-R24 PolarHBondContact O-N 2.86Å; R22-V25 PolarHBondContact O-N 3.3Å; R22-N26 PolarHBondContact O-N 2.8Å; R22-N26 PolarHBondContact O-OD1 3.18Å
23R98.6Very high98.5Very high177 Ų17765.3 Ų65.367%0.66830%0.304SS*.Hα-helixtrans-62.3-35.4-179.7-142.8-168.487.179.5-0.8112.2P21 I27P21-R23 VanDerWaalsContact C-N 3.27Å; P21-R23 PolarHBondContact O-N 2.98Å; P21-R23 VanDerWaalsContact O-N 3.08Å; R23-I27 WeakPolarHBondContact O-CD1 3.29Å; R23-I27 WeakPolarHBondContact O-CG1 3.33Å; R23-I27 PolarHBondContact O-N 2.96Å
24R98.7Very high98.5Very high109 Ų10969.3 Ų69.341%0.41132%0.318SS..Hα-helixtrans-74.2-40.4177.2-62.3-77.5178.1-175.84.8111P21 R22 N26 I27 F28 S75 L77P21-R24 HydrophobicContact CB-CB 4.19Å; P21-R24 HydrophobicContact CB-CG 3.94Å; P21-R24 HydrophobicContact CG-CG 4.5Å; P21-R24 WeakPolarHBondContact O-CA 3.32Å; P21-R24 WeakPolarHBondContact O-CB 3.14Å; P21-R24 PolarHBondContact O-N 2.83Å; R22-R24 VanDerWaalsContact C-N 3.26Å; R22-R24 PolarHBondContact O-N 2.86Å; R24-N26 VanDerWaalsContact C-N 3.31Å; R24-N26 PolarHBondContact O-N 2.89Å; R24-I27 PolarHBondContact O-N 3.45Å; R24-F28 WeakPolarHBondContact O-CB 3.46Å; R24-F28 PolarHBondContact O-N 3.38Å; R24-S75 WeakPolarHBondContact CD-O 3.23Å; R24-S75 PolarHBondContact NH1-O 3.1Å; R24-L77 HydrophobicContact CB-CD1 4.42Å; R24-L77 HydrophobicContact CB-CD2 3.6Å; R24-L77 HydrophobicContact CB-CG 3.96Å; R24-L77 HydrophobicContact CG-CD2 4.34Å
25V98.8Very high98.5Very high0 Ų066.8 Ų66.80%030%0.299CS..Hα-helixtrans-60.3-39.5173.9178.10000111.8I13 L16 Y17 L20 P21 R22 F28 G29I13-V25 HydrophobicContact CB-CG1 4.2Å; L16-V25 HydrophobicContact CB-CG1 3.93Å; L16-V25 HydrophobicContact CB-CG2 4Å; Y17-V25 HydrophobicContact CD1-CB 4.36Å; Y17-V25 HydrophobicContact CD1-CG1 3.88Å; Y17-V25 HydrophobicContact CE1-CB 4.19Å; Y17-V25 HydrophobicContact CE1-CG1 3.71Å; Y17-V25 HydrophobicContact CE2-CG1 4.5Å; Y17-V25 HydrophobicContact CG-CG1 4.34Å; L20-V25 HydrophobicContact CB-CG2 3.68Å; P21-V25 PolarHBondContact O-N 2.96Å; R22-V25 PolarHBondContact O-N 3.3Å; V25-F28 WeakPolarHBondContact O-CB 3.44Å; V25-F28 PolarHBondContact O-N 3.44Å; V25-G29 PolarHBondContact O-N 3.26Å
26N98.6Very high98.5Very high57 Ų5763.2 Ų63.231%0.30529%0.285SS..Hα-helixtrans-61.9-47.6175.3-67.35000111.6Y17 R22 R24 F28 G29 E30Y17-N26 WeakPolarHBondContact CE1-OD1 3.26Å; Y17-N26 PolarHBondContact OH-OD1 2.78Å; Y17-N26 VanDerWaalsContact OH-OD1 3.14Å; R22-N26 PolarHBondContact O-N 2.8Å; R22-N26 PolarHBondContact O-OD1 3.18Å; R24-N26 VanDerWaalsContact C-N 3.31Å; R24-N26 PolarHBondContact O-N 2.89Å; N26-F28 VanDerWaalsContact C-N 3.3Å; N26-F28 PolarHBondContact O-N 2.77Å; N26-G29 PolarHBondContact O-N 3.48Å; N26-G29 VanDerWaalsContact O-N 3.17Å; N26-E30 WeakPolarHBondContact O-CG 3.33Å; N26-E30 PolarHBondContact O-N 2.81Å
27I98.8Very high98.5Very high30 Ų3066.4 Ų66.415%0.15430%0.299CS..Hα-helixtrans-62.8-40177.3-62.5163.1000110.4R23 R24 G29 E30 E31R23-I27 WeakPolarHBondContact O-CD1 3.29Å; R23-I27 WeakPolarHBondContact O-CG1 3.33Å; R23-I27 PolarHBondContact O-N 2.96Å; R24-I27 PolarHBondContact O-N 3.45Å; I27-G29 VanDerWaalsContact C-N 3.31Å; I27-G29 PolarHBondContact O-N 3.23Å; I27-E30 PolarHBondContact O-N 3.27Å; I27-E31 HydrophobicContact CG2-CG 4.29Å; I27-E31 WeakPolarHBondContact O-CG 3.4Å; I27-E31 PolarHBondContact O-N 3.28Å
28F98.9Very high98.5Very high0 Ų069.6 Ų69.60%032%0.316CS..Hα-helixtrans-57.3-44.9174.3174.4-89.7000111.6I12 I13 L16 R24 V25 N26 E31 L32 V68 A71 A72 L77 V82I12-F28 HydrophobicContact CG2-CE1 4.46Å; I13-F28 HydrophobicContact CG2-CD1 4.13Å; I13-F28 HydrophobicContact CG2-CE1 4.39Å; L16-F28 HydrophobicContact CD1-CD1 3.82Å; L16-F28 HydrophobicContact CD1-CE1 3.74Å; L16-F28 HydrophobicContact CD1-CG 4.48Å; L16-F28 HydrophobicContact CD1-CZ 4.35Å; R24-F28 WeakPolarHBondContact O-CB 3.46Å; R24-F28 PolarHBondContact O-N 3.38Å; V25-F28 WeakPolarHBondContact O-CB 3.44Å; V25-F28 PolarHBondContact O-N 3.44Å; N26-F28 VanDerWaalsContact C-N 3.3Å; N26-F28 PolarHBondContact O-N 2.77Å; F28-E31 PolarHBondContact O-N 2.92Å; F28-L32 HydrophobicContact CE1-CD2 3.79Å; F28-L32 HydrophobicContact CZ-CD2 4.07Å; F28-L32 WeakPolarHBondContact O-CB 2.97Å; F28-L32 PolarHBondContact O-N 3.24Å; F28-V68 HydrophobicContact CE2-CG1 4.44Å; F28-V68 HydrophobicContact CZ-CG1 4.17Å; F28-A71 HydrophobicContact CD2-CB 3.81Å; F28-A71 HydrophobicContact CE2-CB 3.69Å; F28-A71 HydrophobicContact CZ-CB 4.33Å; F28-A72 HydrophobicContact CD2-CB 4.41Å; F28-A72 HydrophobicContact CE2-CB 4.19Å; F28-L77 HydrophobicContact CB-CD1 3.94Å; F28-L77 HydrophobicContact CD2-CD1 4.29Å; F28-L77 HydrophobicContact CG-CD1 4.26Å; F28-V82 HydrophobicContact CE2-CG1 4.21Å; F28-V82 HydrophobicContact CE2-CG2 4.41Å; F28-V82 HydrophobicContact CZ-CG1 4.11Å
29G98.7Very high98.6Very high9 Ų963.8 Ų63.89%0.09328%0.283CS..Hα-helixtrans-61.8-43.717600000112.9V25 N26 I27 E33V25-G29 PolarHBondContact O-N 3.26Å; N26-G29 PolarHBondContact O-N 3.48Å; N26-G29 VanDerWaalsContact O-N 3.17Å; I27-G29 VanDerWaalsContact C-N 3.31Å; I27-G29 PolarHBondContact O-N 3.23Å; G29-E33 WeakPolarHBondContact O-CB 3.46Å; G29-E33 PolarHBondContact O-N 3.37Å
30E98.8Very high98.6Very high125 Ų12556.8 Ų56.858%0.58425%0.253SS*.Hα-helixtrans-62.8-45.2176.9-70171-170.700112N26 I27 E33 R34N26-E30 WeakPolarHBondContact O-CG 3.33Å; N26-E30 PolarHBondContact O-N 2.81Å; I27-E30 PolarHBondContact O-N 3.27Å; E30-E33 WeakPolarHBondContact O-CB 3.42Å; E30-E33 PolarHBondContact O-N 2.89Å; E30-R34 PolarHBondContact O-N 3.09Å; E30-R34 VanDerWaalsContact O-N 3.12Å
31E98.9Very high98.6Very high46 Ų4662.7 Ų62.722%0.21528%0.28CS..Hα-helixtrans-68.5-44.8178.1-68.3-58.9161.700111.3I27 F28 E33 R34 Q35 A71 E74I27-E31 HydrophobicContact CG2-CG 4.29Å; I27-E31 WeakPolarHBondContact O-CG 3.4Å; I27-E31 PolarHBondContact O-N 3.28Å; F28-E31 PolarHBondContact O-N 2.92Å; E31-E33 VanDerWaalsContact C-N 3.29Å; E31-E33 PolarHBondContact O-N 2.84Å; E31-R34 WeakPolarHBondContact O-CB 3.4Å; E31-R34 PolarHBondContact O-N 2.82Å; E31-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 IonicContact OE2-CZ 3.06Å; E31-R34 VanDerWaalsContact OE2-CZ 3.28Å; E31-R34 IonicContact OE2-NE 2.81Å; E31-R34 PolarHBondContact OE2-NE 3.24Å; E31-R34 IonicContact OE2-NH2 3.6Å; E31-R34 PolarHBondContact OE2-NH2 3.42Å; E31-Q35 VanDerWaalsContact O-CG 3.29Å; E31-Q35 WeakPolarHBondContact O-CG 3.37Å; E31-Q35 PolarHBondContact O-N 3.02Å; E31-A71 HydrophobicContact CB-CB 4.14Å; E31-E74 HydrophobicContact CB-CB 4.33Å; E31-E74 HydrophobicContact CG-CB 3.77Å
32L98.9Very high98.6Very high0 Ų061.4 Ų61.40%028%0.281CS..Hα-helixtrans-58.7-42.5176.5-176.158.3000111.1L9 I12 F28 R34 Q35 L36 V67 V68 A71L9-L32 HydrophobicContact CD2-CB 3.78Å; L9-L32 HydrophobicContact CD2-CD2 3.6Å; L9-L32 HydrophobicContact CD2-CG 3.56Å; I12-L32 HydrophobicContact CD1-CD2 4.35Å; I12-L32 HydrophobicContact CG2-CD2 4.35Å; F28-L32 HydrophobicContact CE1-CD2 3.79Å; F28-L32 HydrophobicContact CZ-CD2 4.07Å; F28-L32 WeakPolarHBondContact O-CB 2.97Å; F28-L32 PolarHBondContact O-N 3.24Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 2.9Å; L32-Q35 PolarHBondContact O-N 3.43Å; L32-L36 HydrophobicContact CD1-CD1 4.24Å; L32-L36 HydrophobicContact CD1-CG 4.17Å; L32-L36 HydrophobicContact CG-CD1 4.05Å; L32-L36 HydrophobicContact CG-CG 4.42Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.21Å; L32-L36 PolarHBondContact O-N 2.85Å; L32-V67 HydrophobicContact CD1-CB 4.2Å; L32-V67 HydrophobicContact CD1-CG2 3.76Å; L32-V68 HydrophobicContact CD1-CG2 4.3Å; L32-A71 HydrophobicContact CB-CB 3.87Å; L32-A71 HydrophobicContact CD1-CB 4.41Å
33E98.8Very high98.6Very high36 Ų3657.2 Ų57.217%0.16827%0.269CS..Hα-helixtrans-55.1-49.8173.3-172.8178.417700111.9I5 Q6 L9 G29 E30 E31 L36 K37I5-E33 HydrophobicContact CG2-CG 4.07Å; Q6-E33 PolarHBondContact NE2-OE1 2.86Å; Q6-E33 PolarHBondContact NE2-OE2 3.35Å; L9-E33 HydrophobicContact CD1-CB 3.46Å; L9-E33 VanDerWaalsContact CD1-CB 3.46Å; L9-E33 HydrophobicContact CD1-CG 3.76Å; G29-E33 WeakPolarHBondContact O-CB 3.46Å; G29-E33 PolarHBondContact O-N 3.37Å; E30-E33 WeakPolarHBondContact O-CB 3.42Å; E30-E33 PolarHBondContact O-N 2.89Å; E31-E33 VanDerWaalsContact C-N 3.29Å; E31-E33 PolarHBondContact O-N 2.84Å; E33-L36 PolarHBondContact O-N 3.12Å; E33-K37 HydrophobicContact CG-CD 4.36Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.01Å; E33-K37 WeakPolarHBondContact OE1-CE 3.39Å; E33-K37 IonicContact OE1-NZ 2.81Å; E33-K37 PolarHBondContact OE1-NZ 2.81Å
34R98.7Very high98.6Very high104 Ų10451.2 Ų51.239%0.39225%0.246SC..Hα-helixtrans-63.1-44.3-178.5-172.7-174.16378.6-7.1111.5E30 E31 L32 Q38 E74E30-R34 PolarHBondContact O-N 3.09Å; E30-R34 VanDerWaalsContact O-N 3.12Å; E31-R34 WeakPolarHBondContact O-CB 3.4Å; E31-R34 PolarHBondContact O-N 2.82Å; E31-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 IonicContact OE2-CZ 3.06Å; E31-R34 VanDerWaalsContact OE2-CZ 3.28Å; E31-R34 IonicContact OE2-NE 2.81Å; E31-R34 PolarHBondContact OE2-NE 3.24Å; E31-R34 IonicContact OE2-NH2 3.6Å; E31-R34 PolarHBondContact OE2-NH2 3.42Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 2.9Å; R34-Q38 PolarHBondContact O-N 2.84Å; R34-Q38 VanDerWaalsContact O-N 3.1Å; R34-E74 VanDerWaalsContact NH2-CD 3.31Å; R34-E74 IonicContact NH2-OE1 2.66Å; R34-E74 PolarHBondContact NH2-OE1 3.3Å; R34-E74 IonicContact NH2-OE2 3.28Å; R34-E74 PolarHBondContact NH2-OE2 3.31Å
35Q98.7Very high98.5Very high8 Ų849.3 Ų49.34%0.03724%0.239CC..Hα-helixtrans-63.6-41.4177.7-59.3-57.6-14.500111.6E31 L32 Q38 K39 V67 K70 E74E31-Q35 VanDerWaalsContact O-CG 3.29Å; E31-Q35 WeakPolarHBondContact O-CG 3.37Å; E31-Q35 PolarHBondContact O-N 3.02Å; L32-Q35 PolarHBondContact O-N 3.43Å; Q35-Q38 PolarHBondContact O-N 3.44Å; Q35-K39 WeakPolarHBondContact O-CB 3.44Å; Q35-K39 PolarHBondContact O-N 3.41Å; Q35-V67 HydrophobicContact CB-CB 3.95Å; Q35-V67 HydrophobicContact CB-CG1 4.09Å; Q35-K70 VanDerWaalsContact CD-CD 3.47Å; Q35-K70 HydrophobicContact CG-CD 4.41Å; Q35-E74 VanDerWaalsContact NE2-CD 3.34Å; Q35-E74 PolarHBondContact NE2-OE1 3.28Å; Q35-E74 VanDerWaalsContact NE2-OE1 3.13Å; Q35-E74 PolarHBondContact NE2-OE2 2.65Å
36L98.8Very high98.4Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-65.5-44.4179.2-69.9173.8000111.8I5 L9 L32 E33 Q38 K39 Y40 I58 V67 I94I5-L36 HydrophobicContact CD1-CB 4.24Å; I5-L36 HydrophobicContact CG2-CB 4.48Å; I5-L36 HydrophobicContact CG2-CD1 4.24Å; L9-L36 HydrophobicContact CD2-CD1 4.33Å; L32-L36 HydrophobicContact CD1-CD1 4.24Å; L32-L36 HydrophobicContact CD1-CG 4.17Å; L32-L36 HydrophobicContact CG-CD1 4.05Å; L32-L36 HydrophobicContact CG-CG 4.42Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.21Å; L32-L36 PolarHBondContact O-N 2.85Å; E33-L36 PolarHBondContact O-N 3.12Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-Q38 PolarHBondContact O-N 3.33Å; L36-K39 PolarHBondContact O-N 3.34Å; L36-Y40 HydrophobicContact CD2-CE1 4.13Å; L36-Y40 WeakPolarHBondContact O-CB 3.46Å; L36-Y40 WeakPolarHBondContact O-CD1 3.3Å; L36-Y40 VanDerWaalsContact O-CG 3.25Å; L36-Y40 PolarHBondContact O-N 2.84Å; L36-I58 HydrophobicContact CD1-CD1 3.8Å; L36-I58 HydrophobicContact CD2-CD1 3.59Å; L36-I58 HydrophobicContact CD2-CG1 3.93Å; L36-I58 HydrophobicContact CG-CD1 4.32Å; L36-V67 HydrophobicContact CD2-CG2 3.89Å; L36-I94 HydrophobicContact CD1-CD1 4.29Å
37K98.6Very high98.3Very high66 Ų6656.4 Ų56.429%0.28728%0.28SS..Hα-helixtrans-56.7-45.9174-73.4177.2-176171.80111.3I5 E33 Y40 E41I5-K37 HydrophobicContact CD1-CG 3.9Å; E33-K37 HydrophobicContact CG-CD 4.36Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.01Å; E33-K37 WeakPolarHBondContact OE1-CE 3.39Å; E33-K37 IonicContact OE1-NZ 2.81Å; E33-K37 PolarHBondContact OE1-NZ 2.81Å; K37-Y40 PolarHBondContact O-N 3.14Å; K37-E41 PolarHBondContact O-N 2.85Å; K37-E41 VanDerWaalsContact O-N 3.16Å
38Q98.4Very high98.3Very high122 Ų12261.9 Ų61.957%0.5730%0.303SS*.Hα-helixtrans-65.5-42.5177.8-174.2173.53800112.5R34 Q35 L36 Y40R34-Q38 PolarHBondContact O-N 2.84Å; R34-Q38 VanDerWaalsContact O-N 3.1Å; Q35-Q38 PolarHBondContact O-N 3.44Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-Q38 PolarHBondContact O-N 3.33Å; Q38-Y40 VanDerWaalsContact C-N 3.33Å; Q38-Y40 PolarHBondContact O-N 3.22Å
39K98.3Very high98.2Very high42 Ų4263.4 Ų63.418%0.18331%0.312CS..Hα-helixtrans-61.7-41.6177.8-177.3179.2174.9-169.40110.7Q35 L36 F55 C57 D65 V67Q35-K39 WeakPolarHBondContact O-CB 3.44Å; Q35-K39 PolarHBondContact O-N 3.41Å; L36-K39 PolarHBondContact O-N 3.34Å; K39-F55 WeakPolarHBondContact CE-O 3.46Å; K39-F55 HydrophobicContact CG-CE1 3.95Å; K39-F55 HydrophobicContact CG-CZ 3.8Å; K39-F55 PolarHBondContact NZ-O 3.15Å; K39-F55 VanDerWaalsContact NZ-O 3.14Å; K39-F55 WeakPolarHBondContact O-CE1 3.43Å; K39-F55 WeakPolarHBondContact O-CZ 3.23Å; K39-C57 PolarHBondContact NZ-O 3.02Å; K39-D65 IonicContact NZ-OD1 2.66Å; K39-D65 IonicContact NZ-OD2 2.81Å; K39-D65 PolarHBondContact NZ-OD2 3.46Å; K39-V67 HydrophobicContact CB-CG1 4.46Å; K39-V67 HydrophobicContact CD-CG1 3.67Å
40Y98.6Very high98.1Very high0 Ų071 Ų710%034%0.339CS..Hα-helixtrans-85.6-12.2-172.5-64-0.6000113.9M1 I5 L36 K37 Q38 G42 H43 W44 R56 I94M1-Y40 HydrophobicContact CG-CD2 4.5Å; M1-Y40 HydrophobicContact SD-CD2 4.38Å; I5-Y40 HydrophobicContact CD1-CD2 4.07Å; I5-Y40 HydrophobicContact CD1-CE2 4.36Å; I5-Y40 HydrophobicContact CG1-CD2 4.32Å; I5-Y40 HydrophobicContact CG1-CE2 4.17Å; L36-Y40 HydrophobicContact CD2-CE1 4.13Å; L36-Y40 WeakPolarHBondContact O-CB 3.46Å; L36-Y40 WeakPolarHBondContact O-CD1 3.3Å; L36-Y40 VanDerWaalsContact O-CG 3.25Å; L36-Y40 PolarHBondContact O-N 2.84Å; K37-Y40 PolarHBondContact O-N 3.14Å; Q38-Y40 VanDerWaalsContact C-N 3.33Å; Q38-Y40 PolarHBondContact O-N 3.22Å; Y40-G42 PolarHBondContact O-N 2.89Å; Y40-H43 CarbonylContact O-C 3.56Å; Y40-H43 WeakPolarHBondContact O-CA 3.43Å; Y40-H43 PolarHBondContact O-N 3.25Å; Y40-W44 HydrophobicContact CD2-CE3 4.12Å; Y40-W44 HydrophobicContact CD2-CZ3 4.04Å; Y40-W44 HydrophobicContact CE2-CZ3 4.36Å; Y40-W44 PolarHBondContact O-N 3.35Å; Y40-R56 HydrophobicContact CD1-CB 4.06Å; Y40-R56 HydrophobicContact CD1-CG 3.59Å; Y40-R56 HydrophobicContact CD2-CG 4.42Å; Y40-R56 HydrophobicContact CE1-CB 3.54Å; Y40-R56 HydrophobicContact CE1-CG 3.64Å; Y40-R56 HydrophobicContact CE2-CB 4.33Å; Y40-R56 HydrophobicContact CE2-CG 4.44Å; Y40-R56 HydrophobicContact CG-CG 4.03Å; Y40-R56 PolarHBondContact OH-O 3.16Å; Y40-I94 HydrophobicContact CE2-CB 3.9Å; Y40-I94 HydrophobicContact CE2-CD1 4.23Å; Y40-I94 HydrophobicContact CE2-CG2 3.96Å; Y40-I94 WeakPolarHBondContact OH-CD1 3.39Å
41E97.8Very high98.1Very high142 Ų14270.1 Ų70.166%0.66433%0.334SS*.THydrogen-bonded Turntrans-54.5129.2175.1-166.359.5-137.500110.5K37 H43K37-E41 PolarHBondContact O-N 2.85Å; K37-E41 VanDerWaalsContact O-N 3.16Å; E41-H43 PolarHBondContact O-N 3Å; E41-H43 VanDerWaalsContact O-N 3.15Å; E41-H43 PolarHBondContact O-ND1 3.08Å
42G97.6Very high98.1Very high55 Ų5569.2 Ų69.257%0.56734%0.337SS*.THydrogen-bonded Turntrans69.9-1-173.400000116Y40 Y45Y40-G42 PolarHBondContact O-N 2.89Å; G42-Y45 PolarHBondContact O-OH 2.88Å
43H98.4Very high98Very high74 Ų7470 Ų7034%0.34334%0.343SS..  trans-122.322.8-178.1-61.480.4000112.5Y40 E41 F55 R56Y40-H43 CarbonylContact O-C 3.56Å; Y40-H43 WeakPolarHBondContact O-CA 3.43Å; Y40-H43 PolarHBondContact O-N 3.25Å; E41-H43 PolarHBondContact O-N 3Å; E41-H43 VanDerWaalsContact O-N 3.15Å; E41-H43 PolarHBondContact O-ND1 3.08Å; H43-F55 HydrophobicContact CB-CD1 3.86Å; H43-F55 HydrophobicContact CB-CE1 3.65Å; H43-F55 AromaticContact CD2-CD1 3.93Å; H43-F55 AromaticContact CD2-CE1 3.78Å; H43-F55 AromaticContact CG-CD1 3.93Å; H43-F55 AromaticContact CG-CE1 3.5Å; H43-F55 AromaticContact ND1-CE1 3.93Å; H43-R56 PolarHBondContact O-NH1 3.08Å
44W98.5Very high98Very high50 Ų5071.4 Ų71.419%0.18937%0.367CS..  trans-112.4116.1176.7-166-96.2000110M1 E4 Y40 I94 D95 P96M1-W44 HydrophobicContact CB-CD2 3.77Å; M1-W44 VanDerWaalsContact CB-CE2 3.49Å; M1-W44 HydrophobicContact CB-CE3 4.25Å; M1-W44 HydrophobicContact CB-CG 4.22Å; M1-W44 HydrophobicContact CB-CH2 4.23Å; M1-W44 HydrophobicContact CB-CZ2 3.73Å; M1-W44 HydrophobicContact CB-CZ3 4.46Å; M1-W44 HydrophobicContact CG-CD2 3.7Å; M1-W44 HydrophobicContact CG-CE3 3.69Å; M1-W44 HydrophobicContact CG-CG 4.3Å; M1-W44 HydrophobicContact CG-CH2 4.11Å; M1-W44 HydrophobicContact CG-CZ2 4.1Å; M1-W44 HydrophobicContact CG-CZ3 3.91Å; M1-W44 HydrophobicContact SD-CB 4.14Å; M1-W44 HydrophobicContact SD-CD2 3.91Å; M1-W44 HydrophobicContact SD-CE3 3.94Å; M1-W44 HydrophobicContact SD-CG 4.02Å; E4-W44 HydrophobicContact CB-CH2 4.22Å; E4-W44 HydrophobicContact CG-CH2 4.4Å; E4-W44 HydrophobicContact CG-CZ2 4.48Å; E4-W44 WeakPolarHBondContact OE1-CZ2 3.38Å; Y40-W44 HydrophobicContact CD2-CE3 4.12Å; Y40-W44 HydrophobicContact CD2-CZ3 4.04Å; Y40-W44 HydrophobicContact CE2-CZ3 4.36Å; Y40-W44 PolarHBondContact O-N 3.35Å; W44-I94 HydrophobicContact CH2-CG2 4.22Å; W44-I94 HydrophobicContact CZ3-CG2 4.23Å; W44-I94 WeakPolarHBondContact CZ3-O 3.41Å; W44-D95 WeakPolarHBondContact CH2-O 3.35Å; W44-P96 HydrophobicContact CD2-CG 4.04Å; W44-P96 HydrophobicContact CG-CG 4.47Å; W44-P96 HydrophobicContact CH2-CG 4.38Å; W44-P96 VanDerWaalsContact CZ2-CA 3.42Å; W44-P96 HydrophobicContact CZ2-CB 4.02Å; W44-P96 HydrophobicContact CZ2-CG 3.83Å
45Y97.8Very high98Very high69 Ų6970.8 Ų70.827%0.27137%0.367SS..  trans-126.385-171.9-54.5-83.9000111.3G42 D47 K48 P49 K51G42-Y45 PolarHBondContact O-OH 2.88Å; Y45-D47 VanDerWaalsContact C-N 3.29Å; Y45-D47 PolarHBondContact O-N 3.39Å; Y45-K48 CarbonylContact O-C 3.59Å; Y45-K48 PolarHBondContact O-N 3.5Å; Y45-K48 VanDerWaalsContact O-O 3.1Å; Y45-P49 WeakPolarHBondContact O-CA 3.47Å; Y45-K51 HydrophobicContact CD1-CD 3.97Å; Y45-K51 HydrophobicContact CD2-CB 3.94Å; Y45-K51 HydrophobicContact CD2-CD 3.81Å; Y45-K51 HydrophobicContact CD2-CG 3.85Å; Y45-K51 WeakPolarHBondContact CD2-O 3.48Å; Y45-K51 HydrophobicContact CE1-CD 4.06Å; Y45-K51 VanDerWaalsContact CE1-NZ 3.27Å; Y45-K51 HydrophobicContact CE2-CD 3.92Å; Y45-K51 HydrophobicContact CE2-CG 4.01Å; Y45-K51 HydrophobicContact CG-CB 4.26Å; Y45-K51 HydrophobicContact CG-CD 3.84Å; Y45-K51 HydrophobicContact CG-CG 4.3Å
46P96.6Very high98Very high49 Ų4970.4 Ų70.432%0.31837%0.365SS..THydrogen-bonded Turntrans-56-38.7-179.3-2635.5000113.9K48 P49 Y97P46-K48 PolarHBondContact O-N 2.99Å; P46-P49 WeakPolarHBondContact O-CD 3.42Å; P46-P49 WeakPolarHBondContact O-CG 3.45Å; P46-Y97 HydrophobicContact CB-CE2 4.28Å; P46-Y97 WeakPolarHBondContact CB-OH 3.38Å; P46-Y97 WeakPolarHBondContact O-CE2 3.23Å
47D96.8Very high98Very high158 Ų15871.2 Ų71.285%0.84537%0.371SS*.THydrogen-bonded Turntrans-70.2-18.6178.5-52.4-42.9000113.6Y45Y45-D47 VanDerWaalsContact C-N 3.29Å; Y45-D47 PolarHBondContact O-N 3.39Å
48K97.6Very high98Very high145 Ų14568.2 Ų68.263%0.6336%0.358SS*.SBendtrans-138.772.3178.2-64.8-176.5-177.7178.40109.1Y45 P46 Y50 K51Y45-K48 CarbonylContact O-C 3.59Å; Y45-K48 PolarHBondContact O-N 3.5Å; Y45-K48 VanDerWaalsContact O-O 3.1Å; P46-K48 PolarHBondContact O-N 2.99Å; K48-Y50 VanDerWaalsContact C-N 3.26Å; K48-Y50 PolarHBondContact O-N 3.21Å; K48-Y50 VanDerWaalsContact O-N 3.12Å; K48-K51 HydrophobicContact CB-CB 3.97Å; K48-K51 VanDerWaalsContact O-CB 3.23Å; K48-K51 WeakPolarHBondContact O-CB 3.48Å; K48-K51 PolarHBondContact O-N 3.02Å
49P97.3Very high98Very high31 Ų3165.9 Ų65.920%0.20135%0.346CS..THydrogen-bonded Turntrans-52.4-42.8-168.1-3036.6000113.8Y45 P46 K51 R56 P96 Y97Y45-P49 WeakPolarHBondContact O-CA 3.47Å; P46-P49 WeakPolarHBondContact O-CD 3.42Å; P46-P49 WeakPolarHBondContact O-CG 3.45Å; P49-K51 VanDerWaalsContact C-N 3.27Å; P49-K51 PolarHBondContact O-N 3.06Å; P49-R56 PolarHBondContact O-NH2 3.45Å; P49-P96 HydrophobicContact CB-CB 4.09Å; P49-P96 HydrophobicContact CB-CG 4.26Å; P49-P96 HydrophobicContact CG-CB 4.33Å; P49-Y97 HydrophobicContact CG-CD2 4.07Å; P49-Y97 HydrophobicContact CG-CE2 4.29Å
50Y97.2Very high98Very high169 Ų16964.1 Ų64.166%0.66334%0.34SS*.THydrogen-bonded Turntrans-73.5-12.1-178.6-53.5-61.4000114.6K48 G52 S53K48-Y50 VanDerWaalsContact C-N 3.26Å; K48-Y50 PolarHBondContact O-N 3.21Å; K48-Y50 VanDerWaalsContact O-N 3.12Å; Y50-G52 PolarHBondContact O-N 3.02Å; Y50-S53 WeakPolarHBondContact O-CB 3.21Å; Y50-S53 PolarHBondContact O-N 3.09Å; Y50-S53 VanDerWaalsContact O-N 3.13Å
51K98.1Very high97.8Very high106 Ų10664.3 Ų64.346%0.46134%0.341SS..THydrogen-bonded Turntrans-65.1120174.9-174.7-175.9174.2-162.80108.8Y45 K48 P49 S53 R56Y45-K51 HydrophobicContact CD1-CD 3.97Å; Y45-K51 HydrophobicContact CD2-CB 3.94Å; Y45-K51 HydrophobicContact CD2-CD 3.81Å; Y45-K51 HydrophobicContact CD2-CG 3.85Å; Y45-K51 WeakPolarHBondContact CD2-O 3.48Å; Y45-K51 HydrophobicContact CE1-CD 4.06Å; Y45-K51 VanDerWaalsContact CE1-NZ 3.27Å; Y45-K51 HydrophobicContact CE2-CD 3.92Å; Y45-K51 HydrophobicContact CE2-CG 4.01Å; Y45-K51 HydrophobicContact CG-CB 4.26Å; Y45-K51 HydrophobicContact CG-CD 3.84Å; Y45-K51 HydrophobicContact CG-CG 4.3Å; K48-K51 HydrophobicContact CB-CB 3.97Å; K48-K51 VanDerWaalsContact O-CB 3.23Å; K48-K51 WeakPolarHBondContact O-CB 3.48Å; K48-K51 PolarHBondContact O-N 3.02Å; P49-K51 VanDerWaalsContact C-N 3.27Å; P49-K51 PolarHBondContact O-N 3.06Å; K51-S53 VanDerWaalsContact C-N 3.3Å; K51-R56 PolarHBondContact O-NH1 3.1Å
52G98.1Very high97.6Very high28 Ų2865.7 Ų65.729%0.28935%0.348SS..THydrogen-bonded Turntrans77.39.9-178.500000114.7Y50 G54 F55 R56Y50-G52 PolarHBondContact O-N 3.02Å; G52-G54 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 3.04Å; G52-F55 WeakPolarHBondContact O-CB 3.37Å; G52-F55 PolarHBondContact O-N 3.14Å; G52-R56 PolarHBondContact O-N 2.84Å
53S98.4Very high97.5Very high17 Ų1771.2 Ų71.212%0.11936%0.356CS..Hα-helixtrans-55.8-44.7178.51770000112.3Y50 K51 F55 R56 C57 D95Y50-S53 WeakPolarHBondContact O-CB 3.21Å; Y50-S53 PolarHBondContact O-N 3.09Å; Y50-S53 VanDerWaalsContact O-N 3.13Å; K51-S53 VanDerWaalsContact C-N 3.3Å; S53-F55 VanDerWaalsContact C-N 3.3Å; S53-F55 PolarHBondContact O-N 2.92Å; S53-R56 PolarHBondContact O-N 3.32Å; S53-R56 VanDerWaalsContact O-N 3.12Å; S53-C57 PolarHBondContact O-N 2.89Å; S53-D95 WeakPolarHBondContact CA-OD1 3.42Å; S53-D95 WeakPolarHBondContact CB-OD1 3.2Å; S53-D95 VanDerWaalsContact CB-OD2 3.25Å; S53-D95 WeakPolarHBondContact CB-OD2 3.48Å; S53-D95 PolarHBondContact OG-OD1 3.1Å; S53-D95 PolarHBondContact OG-OD2 2.79Å
54G98.2Very high97.4Very high65 Ų6568.6 Ų68.667%0.6735%0.345SS*.Hα-helixtrans-63.7-30.1175.100000114.6G52G52-G54 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 3.04Å
55F98.6Very high97.4Very high90 Ų9067.2 Ų67.240%0.39534%0.342SS..Hα-helixtrans-71.9-38173.7166.5-93.5000111.3K39 H43 G52 S53K39-F55 WeakPolarHBondContact CE-O 3.46Å; K39-F55 HydrophobicContact CG-CE1 3.95Å; K39-F55 HydrophobicContact CG-CZ 3.8Å; K39-F55 PolarHBondContact NZ-O 3.15Å; K39-F55 VanDerWaalsContact NZ-O 3.14Å; K39-F55 WeakPolarHBondContact O-CE1 3.43Å; K39-F55 WeakPolarHBondContact O-CZ 3.23Å; H43-F55 HydrophobicContact CB-CD1 3.86Å; H43-F55 HydrophobicContact CB-CE1 3.65Å; H43-F55 AromaticContact CD2-CD1 3.93Å; H43-F55 AromaticContact CD2-CE1 3.78Å; H43-F55 AromaticContact CG-CD1 3.93Å; H43-F55 AromaticContact CG-CE1 3.5Å; H43-F55 AromaticContact ND1-CE1 3.93Å; G52-F55 WeakPolarHBondContact O-CB 3.37Å; G52-F55 PolarHBondContact O-N 3.14Å; S53-F55 VanDerWaalsContact C-N 3.3Å; S53-F55 PolarHBondContact O-N 2.92Å
56R98.8Very high97.5Very high0 Ų068.2 Ų68.20%036%0.357CS..Hα-helixtrans-77.2-26.2178.8-65.1-167-60.2-85.4-5.9112.9Y40 H43 P49 K51 G52 S53 I58 I94 D95Y40-R56 HydrophobicContact CD1-CB 4.06Å; Y40-R56 HydrophobicContact CD1-CG 3.59Å; Y40-R56 HydrophobicContact CD2-CG 4.42Å; Y40-R56 HydrophobicContact CE1-CB 3.54Å; Y40-R56 HydrophobicContact CE1-CG 3.64Å; Y40-R56 HydrophobicContact CE2-CB 4.33Å; Y40-R56 HydrophobicContact CE2-CG 4.44Å; Y40-R56 HydrophobicContact CG-CG 4.03Å; Y40-R56 PolarHBondContact OH-O 3.16Å; H43-R56 PolarHBondContact O-NH1 3.08Å; P49-R56 PolarHBondContact O-NH2 3.45Å; K51-R56 PolarHBondContact O-NH1 3.1Å; G52-R56 PolarHBondContact O-N 2.84Å; S53-R56 PolarHBondContact O-N 3.32Å; S53-R56 VanDerWaalsContact O-N 3.12Å; R56-I58 PolarHBondContact O-N 3.42Å; R56-I94 PolarHBondContact NE-O 3.39Å; R56-D95 IonicContact CZ-OD1 2.92Å; R56-D95 IonicContact NE-OD1 2.84Å; R56-D95 PolarHBondContact NE-OD1 3.34Å; R56-D95 IonicContact NH2-OD1 3.45Å; R56-D95 PolarHBondContact NH2-OD1 2.71Å
57C98.6Very high97.6Very high18 Ų1866.5 Ų66.512%0.12235%0.345CS..  trans-47.6131.3178.7-174.90000111.8K39 S53 V92K39-C57 PolarHBondContact NZ-O 3.02Å; S53-C57 PolarHBondContact O-N 2.89Å; C57-V92 WeakPolarHBondContact CA-O 3.25Å
58I98.8Very high97.6Very high2 Ų259 Ų591%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-98.4116.4170.9-54.2172.2000106.6I12 L36 R56 D65 V68 S91 V92 I94I12-I58 HydrophobicContact CD1-CD1 4.06Å; L36-I58 HydrophobicContact CD1-CD1 3.8Å; L36-I58 HydrophobicContact CD2-CD1 3.59Å; L36-I58 HydrophobicContact CD2-CG1 3.93Å; L36-I58 HydrophobicContact CG-CD1 4.32Å; R56-I58 PolarHBondContact O-N 3.42Å; I58-D65 HydrophobicContact CG2-CB 4.23Å; I58-V68 HydrophobicContact CG2-CG2 3.75Å; I58-S91 CarbonylContact O-C 3.57Å; I58-S91 WeakPolarHBondContact O-CA 3.45Å; I58-V92 HydrophobicContact CB-CB 4.4Å; I58-V92 PolarHBondContact N-O 3.36Å; I58-V92 PolarHBondContact O-N 2.95Å; I58-I94 HydrophobicContact CD1-CD1 3.82Å
59H98.4Very high97.7Very high73 Ų7356.7 Ų56.734%0.33830%0.297SS..EExtended strand (participates in β ladder)trans-115.7133.4179.6-175.668.6000111.5D65 L90 S91H59-D65 PolarHBondContact O-N 3.36Å; H59-L90 CarbonylContact C-O 3.55Å; H59-L90 WeakPolarHBondContact CA-O 3.32Å; H59-L90 PolarHBondContact ND1-O 3.42Å; H59-S91 PolarHBondContact ND1-OG 3.12Å
60V98Very high97.8Very high6 Ų659.3 Ų59.34%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-132.590.8177.5-173.20000108.2V64 V68 R83 L86 D89 L90V60-V64 HydrophobicContact CG1-CG1 4.38Å; V60-V64 HydrophobicContact CG1-CG2 4.22Å; V60-V64 HydrophobicContact CG2-CG1 4.41Å; V60-V68 HydrophobicContact CG2-CG2 4.34Å; V60-R83 HydrophobicContact CG1-CG 4.4Å; V60-L86 HydrophobicContact CG1-CD1 4.02Å; V60-L86 HydrophobicContact CG2-CD1 4.21Å; V60-D89 CarbonylContact O-C 3.58Å; V60-D89 VanDerWaalsContact O-CA 3.31Å; V60-D89 WeakPolarHBondContact O-CA 3.48Å; V60-D89 PolarHBondContact O-N 2.94Å; V60-L90 HydrophobicContact CB-CB 4.43Å; V60-L90 PolarHBondContact N-O 3.48Å; V60-L90 PolarHBondContact O-N 3.47Å
61G94.9Very high97.8Very high4 Ų451.2 Ų51.24%0.04127%0.273CS..SBendtrans-131.5-124179.900000112K63 R83 D89G61-K63 VanDerWaalsContact C-N 3.33Å; G61-K63 PolarHBondContact N-O 2.83Å; G61-R83 PolarHBondContact O-NE 3.13Å; G61-R83 VanDerWaalsContact O-NE 3.07Å; G61-R83 PolarHBondContact O-NH2 3.17Å; G61-D89 WeakPolarHBondContact CA-OD1 3.46Å
62E92.6Very high97.9Very high170 Ų17046.2 Ų46.279%0.79425%0.252SS*.SBendtrans-62.6-43.3166.5-172.1-176.317800111
63K94.9Very high97.9Very high171 Ų17153.3 Ų53.374%0.74327%0.274SS*.SBendtrans-104143.3171.3-64-176.1-179.1178.70109.7G61G61-K63 VanDerWaalsContact C-N 3.33Å; G61-K63 PolarHBondContact N-O 2.83Å
64V97.8Very high97.9Very high19 Ų1956 Ų5612%0.11529%0.285CS..BIsolated β-bridgetrans-104.6137.1178.4-176.80000109V60 V68 E69 I79 R83V60-V64 HydrophobicContact CG1-CG1 4.38Å; V60-V64 HydrophobicContact CG1-CG2 4.22Å; V60-V64 HydrophobicContact CG2-CG1 4.41Å; V64-V68 HydrophobicContact CG1-CB 3.74Å; V64-V68 HydrophobicContact CG1-CG1 3.66Å; V64-E69 HydrophobicContact CB-CG 4.08Å; V64-E69 HydrophobicContact CG1-CG 4.04Å; V64-I79 HydrophobicContact CG1-CD1 4.04Å; V64-R83 HydrophobicContact CG2-CG 4.46Å
65D98.4Very high97.9Very high22 Ų2252.9 Ų52.912%0.11825%0.253CS..  trans-57.9133.3177.8-170.4-59.4000110.4K39 I58 H59 V67 V68 E69K39-D65 IonicContact NZ-OD1 2.66Å; K39-D65 IonicContact NZ-OD2 2.81Å; K39-D65 PolarHBondContact NZ-OD2 3.46Å; I58-D65 HydrophobicContact CG2-CB 4.23Å; H59-D65 PolarHBondContact O-N 3.36Å; D65-V67 HydrophobicContact CB-CG2 4.42Å; D65-V67 PolarHBondContact O-N 2.91Å; D65-V67 VanDerWaalsContact OD1-CG2 3.23Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.48Å; D65-V67 PolarHBondContact OD1-N 3.31Å; D65-V68 HydrophobicContact CB-CG2 4.43Å; D65-V68 WeakPolarHBondContact O-CB 3.24Å; D65-V68 PolarHBondContact O-N 3.04Å; D65-E69 PolarHBondContact O-N 2.97Å
66P98.5Very high97.9Very high89 Ų8951 Ų5158%0.57826%0.259SS*.Hα-helixtrans-52.6-29.2-179.2-29.835.4000115.2V68 E69 K70P66-V68 VanDerWaalsContact C-N 3.31Å; P66-V68 PolarHBondContact O-N 3.17Å; P66-E69 PolarHBondContact O-N 2.99Å; P66-K70 VanDerWaalsContact O-CB 3.26Å; P66-K70 WeakPolarHBondContact O-CB 3.13Å; P66-K70 PolarHBondContact O-N 2.65Å
67V98.6Very high97.9Very high13 Ų1351.8 Ų51.88%0.07926%0.263CS..Hα-helixtrans-67.7-33177.1-57.40000112.2L32 Q35 L36 K39 D65 A71L32-V67 HydrophobicContact CD1-CB 4.2Å; L32-V67 HydrophobicContact CD1-CG2 3.76Å; Q35-V67 HydrophobicContact CB-CB 3.95Å; Q35-V67 HydrophobicContact CB-CG1 4.09Å; L36-V67 HydrophobicContact CD2-CG2 3.89Å; K39-V67 HydrophobicContact CB-CG1 4.46Å; K39-V67 HydrophobicContact CD-CG1 3.67Å; D65-V67 HydrophobicContact CB-CG2 4.42Å; D65-V67 PolarHBondContact O-N 2.91Å; D65-V67 VanDerWaalsContact OD1-CG2 3.23Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.48Å; D65-V67 PolarHBondContact OD1-N 3.31Å; V67-A71 VanDerWaalsContact O-CB 3.3Å; V67-A71 WeakPolarHBondContact O-CB 3.36Å; V67-A71 PolarHBondContact O-N 2.73Å
68V98.7Very high97.9Very high2 Ų256.4 Ų56.41%0.01228%0.283CS..Hα-helixtrans-73.4-44.4176.9175.90000109.9F28 L32 I58 V60 V64 D65 P66 K70 A71 A72 I79 V82F28-V68 HydrophobicContact CE2-CG1 4.44Å; F28-V68 HydrophobicContact CZ-CG1 4.17Å; L32-V68 HydrophobicContact CD1-CG2 4.3Å; I58-V68 HydrophobicContact CG2-CG2 3.75Å; V60-V68 HydrophobicContact CG2-CG2 4.34Å; V64-V68 HydrophobicContact CG1-CB 3.74Å; V64-V68 HydrophobicContact CG1-CG1 3.66Å; D65-V68 HydrophobicContact CB-CG2 4.43Å; D65-V68 WeakPolarHBondContact O-CB 3.24Å; D65-V68 PolarHBondContact O-N 3.04Å; P66-V68 VanDerWaalsContact C-N 3.31Å; P66-V68 PolarHBondContact O-N 3.17Å; V68-K70 VanDerWaalsContact C-N 3.33Å; V68-K70 PolarHBondContact O-N 2.83Å; V68-A71 PolarHBondContact O-N 2.94Å; V68-A72 WeakPolarHBondContact O-CB 3.27Å; V68-A72 PolarHBondContact O-N 3.33Å; V68-I79 HydrophobicContact CG1-CD1 4.2Å; V68-V82 HydrophobicContact CG1-CG1 4.23Å
69E98.6Very high97.9Very high95 Ų9558.3 Ų58.344%0.44429%0.293SS..Hα-helixtrans-58.5-45.5175.2-60.6-174.8153.100111.5V64 D65 P66 A72 K73 I79V64-E69 HydrophobicContact CB-CG 4.08Å; V64-E69 HydrophobicContact CG1-CG 4.04Å; D65-E69 PolarHBondContact O-N 2.97Å; P66-E69 PolarHBondContact O-N 2.99Å; E69-A72 PolarHBondContact O-N 3.15Å; E69-K73 WeakPolarHBondContact O-CB 3.26Å; E69-K73 PolarHBondContact O-N 3.14Å; E69-I79 HydrophobicContact CB-CD1 4.47Å; E69-I79 HydrophobicContact CG-CD1 4.19Å; E69-I79 HydrophobicContact CG-CG1 4.22Å
70K98.7Very high97.8Very high86 Ų8659.5 Ų59.537%0.37430%0.299SS..Hα-helixtrans-66.5-42.5179.5-167.2172.7173.7-157.30112Q35 P66 V68 K73 E74Q35-K70 VanDerWaalsContact CD-CD 3.47Å; Q35-K70 HydrophobicContact CG-CD 4.41Å; P66-K70 VanDerWaalsContact O-CB 3.26Å; P66-K70 WeakPolarHBondContact O-CB 3.13Å; P66-K70 PolarHBondContact O-N 2.65Å; V68-K70 VanDerWaalsContact C-N 3.33Å; V68-K70 PolarHBondContact O-N 2.83Å; K70-K73 PolarHBondContact O-N 3.33Å; K70-E74 VanDerWaalsContact CE-OE1 3.26Å; K70-E74 WeakPolarHBondContact CE-OE1 3.3Å; K70-E74 HydrophobicContact CG-CG 4.48Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 WeakPolarHBondContact O-CG 3.49Å; K70-E74 PolarHBondContact O-N 2.81Å
71A98.8Very high97.8Very high0 Ų062.6 Ų62.60%032%0.315CS..Hα-helixtrans-64.8-38.6175.900000112.5F28 E31 L32 V67 V68 S75F28-A71 HydrophobicContact CD2-CB 3.81Å; F28-A71 HydrophobicContact CE2-CB 3.69Å; F28-A71 HydrophobicContact CZ-CB 4.33Å; E31-A71 HydrophobicContact CB-CB 4.14Å; L32-A71 HydrophobicContact CB-CB 3.87Å; L32-A71 HydrophobicContact CD1-CB 4.41Å; V67-A71 VanDerWaalsContact O-CB 3.3Å; V67-A71 WeakPolarHBondContact O-CB 3.36Å; V67-A71 PolarHBondContact O-N 2.73Å; V68-A71 PolarHBondContact O-N 2.94Å; A71-S75 VanDerWaalsContact O-CB 3.26Å; A71-S75 WeakPolarHBondContact O-CB 3.48Å; A71-S75 PolarHBondContact O-N 3.24Å; A71-S75 PolarHBondContact O-OG 2.87Å
72A98.7Very high98Very high1 Ų162.4 Ų62.41%0.00831%0.313CS..Hα-helixtrans-60.6-49.4173.600000110.6F28 V68 E69 E74 S75 G76 L77 I79 V82F28-A72 HydrophobicContact CD2-CB 4.41Å; F28-A72 HydrophobicContact CE2-CB 4.19Å; V68-A72 WeakPolarHBondContact O-CB 3.27Å; V68-A72 PolarHBondContact O-N 3.33Å; E69-A72 PolarHBondContact O-N 3.15Å; A72-E74 PolarHBondContact O-N 2.85Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-S75 PolarHBondContact O-OG 2.8Å; A72-G76 PolarHBondContact O-N 3.28Å; A72-L77 CarbonylContact C-O 3.4Å; A72-L77 PolarHBondContact O-N 3.4Å; A72-L77 VanDerWaalsContact O-O 3.1Å; A72-I79 HydrophobicContact CB-CB 4.45Å; A72-I79 HydrophobicContact CB-CD1 3.96Å; A72-V82 HydrophobicContact CB-CG2 4.15Å
73K98.7Very high98.3Very high176 Ų17659.5 Ų59.577%0.76529%0.294SS*.Hα-helixtrans-59.5-47.9177.7-175.2177.9-179.6176.80113.1E69 K70 S75 G76E69-K73 WeakPolarHBondContact O-CB 3.26Å; E69-K73 PolarHBondContact O-N 3.14Å; K70-K73 PolarHBondContact O-N 3.33Å; K73-S75 VanDerWaalsContact C-N 3.33Å; K73-S75 PolarHBondContact O-N 3.1Å; K73-G76 PolarHBondContact O-N 3.15Å
74E98.6Very high98.4Very high74 Ų7457.1 Ų57.135%0.34629%0.29SS..Hα-helixtrans-68.9-31.9-178.4-71.2171.9168.200112E31 R34 Q35 K70 A72E31-E74 HydrophobicContact CB-CB 4.33Å; E31-E74 HydrophobicContact CG-CB 3.77Å; R34-E74 VanDerWaalsContact NH2-CD 3.31Å; R34-E74 IonicContact NH2-OE1 2.66Å; R34-E74 PolarHBondContact NH2-OE1 3.3Å; R34-E74 IonicContact NH2-OE2 3.28Å; R34-E74 PolarHBondContact NH2-OE2 3.31Å; Q35-E74 VanDerWaalsContact NE2-CD 3.34Å; Q35-E74 PolarHBondContact NE2-OE1 3.28Å; Q35-E74 VanDerWaalsContact NE2-OE1 3.13Å; Q35-E74 PolarHBondContact NE2-OE2 2.65Å; K70-E74 VanDerWaalsContact CE-OE1 3.26Å; K70-E74 WeakPolarHBondContact CE-OE1 3.3Å; K70-E74 HydrophobicContact CG-CG 4.48Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 WeakPolarHBondContact O-CG 3.49Å; K70-E74 PolarHBondContact O-N 2.81Å; A72-E74 PolarHBondContact O-N 2.85Å
75S98.6Very high98.4Very high0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-79.5-16.5174.563.80000114R24 A71 A72 K73R24-S75 WeakPolarHBondContact CD-O 3.23Å; R24-S75 PolarHBondContact NH1-O 3.1Å; A71-S75 VanDerWaalsContact O-CB 3.26Å; A71-S75 WeakPolarHBondContact O-CB 3.48Å; A71-S75 PolarHBondContact O-N 3.24Å; A71-S75 PolarHBondContact O-OG 2.87Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-S75 PolarHBondContact O-OG 2.8Å; K73-S75 VanDerWaalsContact C-N 3.33Å; K73-S75 PolarHBondContact O-N 3.1Å
76G98.4Very high98.4Very high50 Ų5058 Ų5852%0.51529%0.294SS..THydrogen-bonded Turntrans76.130.2-175.100000113.1A72 K73A72-G76 PolarHBondContact O-N 3.28Å; K73-G76 PolarHBondContact O-N 3.15Å
77L98.6Very high98.4Very high16 Ų1654.8 Ų54.88%0.08427%0.273CS..  trans-95.7144167.2-66.8174.7000109.2L20 R24 F28 A72 V82L20-L77 HydrophobicContact CB-CD2 4.31Å; L20-L77 HydrophobicContact CD1-CD1 4.11Å; L20-L77 HydrophobicContact CD1-CD2 4.27Å; R24-L77 HydrophobicContact CB-CD1 4.42Å; R24-L77 HydrophobicContact CB-CD2 3.6Å; R24-L77 HydrophobicContact CB-CG 3.96Å; R24-L77 HydrophobicContact CG-CD2 4.34Å; F28-L77 HydrophobicContact CB-CD1 3.94Å; F28-L77 HydrophobicContact CD2-CD1 4.29Å; F28-L77 HydrophobicContact CG-CD1 4.26Å; A72-L77 CarbonylContact C-O 3.4Å; A72-L77 PolarHBondContact O-N 3.4Å; A72-L77 VanDerWaalsContact O-O 3.1Å; L77-V82 HydrophobicContact CB-CG2 3.94Å; L77-V82 HydrophobicContact CD1-CG2 4.08Å
78E98.3Very high98.3Very high115 Ų11561.6 Ų61.654%0.53730%0.304SS..  trans-71.8137.3170.4-173.6167-174.500109.5E80 D81 V82E78-E80 VanDerWaalsContact C-N 3.29Å; E78-E80 HydrophobicContact CG-CB 4.22Å; E78-E80 WeakPolarHBondContact CG-OE2 3.4Å; E78-E80 PolarHBondContact O-N 3.28Å; E78-D81 HydrophobicContact CB-CB 4.25Å; E78-D81 PolarHBondContact O-N 2.66Å; E78-V82 PolarHBondContact O-N 2.92Å; E78-V82 VanDerWaalsContact O-N 3.16Å
79I98.3Very high98.2Very high42 Ų4263 Ų6322%0.21531%0.312CS..Hα-helixtrans-68.6-33.9-174.2-176.156.8000111.1V64 V68 E69 A72 V82 R83V64-I79 HydrophobicContact CG1-CD1 4.04Å; V68-I79 HydrophobicContact CG1-CD1 4.2Å; E69-I79 HydrophobicContact CB-CD1 4.47Å; E69-I79 HydrophobicContact CG-CD1 4.19Å; E69-I79 HydrophobicContact CG-CG1 4.22Å; A72-I79 HydrophobicContact CB-CB 4.45Å; A72-I79 HydrophobicContact CB-CD1 3.96Å; I79-V82 PolarHBondContact O-N 2.86Å; I79-R83 WeakPolarHBondContact O-CB 3.37Å; I79-R83 PolarHBondContact O-N 2.88Å
80E97.9Very high98.2Very high99 Ų9958.6 Ų58.646%0.46329%0.291SS..Hα-helixtrans-61-44173.9-69.271.9-163.100111.1E78 V82 R83 N84E78-E80 VanDerWaalsContact C-N 3.29Å; E78-E80 HydrophobicContact CG-CB 4.22Å; E78-E80 WeakPolarHBondContact CG-OE2 3.4Å; E78-E80 PolarHBondContact O-N 3.28Å; E80-V82 PolarHBondContact O-N 3.12Å; E80-R83 PolarHBondContact O-N 2.78Å; E80-N84 VanDerWaalsContact O-CB 3.27Å; E80-N84 WeakPolarHBondContact O-CB 3.16Å; E80-N84 PolarHBondContact O-N 2.66Å; E80-N84 PolarHBondContact O-ND2 3.18Å; E80-N84 VanDerWaalsContact O-ND2 3.09Å
81D98.1Very high98.2Very high70 Ų7055 Ų5537%0.37428%0.277SS..Hα-helixtrans-63.2-41.4176.2-84.2-14.6000112L20 E78 N85L20-D81 HydrophobicContact CD2-CB 4.02Å; E78-D81 HydrophobicContact CB-CB 4.25Å; E78-D81 PolarHBondContact O-N 2.66Å; D81-N85 PolarHBondContact O-N 3.18Å; D81-N85 PolarHBondContact O-ND2 3.46Å
82V98.4Very high98.2Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-63.1-50175.3174.90000110.1L16 L20 F28 V68 A72 L77 E78 I79 E80 N84 N85 L86L16-V82 HydrophobicContact CD1-CG1 4.29Å; L16-V82 HydrophobicContact CD2-CG1 4.3Å; L20-V82 HydrophobicContact CD1-CG2 4.19Å; F28-V82 HydrophobicContact CE2-CG1 4.21Å; F28-V82 HydrophobicContact CE2-CG2 4.41Å; F28-V82 HydrophobicContact CZ-CG1 4.11Å; V68-V82 HydrophobicContact CG1-CG1 4.23Å; A72-V82 HydrophobicContact CB-CG2 4.15Å; L77-V82 HydrophobicContact CB-CG2 3.94Å; L77-V82 HydrophobicContact CD1-CG2 4.08Å; E78-V82 PolarHBondContact O-N 2.92Å; E78-V82 VanDerWaalsContact O-N 3.16Å; I79-V82 PolarHBondContact O-N 2.86Å; E80-V82 PolarHBondContact O-N 3.12Å; V82-N84 PolarHBondContact O-N 3.2Å; V82-N85 PolarHBondContact O-N 2.93Å; V82-L86 HydrophobicContact CG1-CD1 3.92Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 3.48Å
83R98.1Very high98.2Very high109 Ų10957.6 Ų57.641%0.41129%0.287SS..Hα-helixtrans-59.2-44.8179.7-177.6-175-179.5-150.2-0.6112.2V60 G61 V64 I79 E80 N85 L86V60-R83 HydrophobicContact CG1-CG 4.4Å; G61-R83 PolarHBondContact O-NE 3.13Å; G61-R83 VanDerWaalsContact O-NE 3.07Å; G61-R83 PolarHBondContact O-NH2 3.17Å; V64-R83 HydrophobicContact CG2-CG 4.46Å; I79-R83 WeakPolarHBondContact O-CB 3.37Å; I79-R83 PolarHBondContact O-N 2.88Å; E80-R83 PolarHBondContact O-N 2.78Å; R83-N85 PolarHBondContact O-N 3.02Å; R83-L86 PolarHBondContact O-N 3.08Å
84N97.8Very high98.2Very high121 Ų12149.2 Ų49.265%0.64725%0.25SS*.Hα-helixtrans-66.9-22-177.2-71.8-24.3000113.6E80 V82E80-N84 VanDerWaalsContact O-CB 3.27Å; E80-N84 WeakPolarHBondContact O-CB 3.16Å; E80-N84 PolarHBondContact O-N 2.66Å; E80-N84 PolarHBondContact O-ND2 3.18Å; E80-N84 VanDerWaalsContact O-ND2 3.09Å; V82-N84 PolarHBondContact O-N 3.2Å
85N98.4Very high98.2Very high46 Ų4646 Ų4625%0.24624%0.235CC..Hα-helixtrans-95.3-13.8177-73.9-77.3000113.1L16 K19 D81 V82 R83L16-N85 HydrophobicContact CD2-CB 3.91Å; K19-N85 VanDerWaalsContact CB-OD1 3.26Å; K19-N85 WeakPolarHBondContact CB-OD1 3.35Å; K19-N85 WeakPolarHBondContact CG-OD1 3.48Å; D81-N85 PolarHBondContact O-N 3.18Å; D81-N85 PolarHBondContact O-ND2 3.46Å; V82-N85 PolarHBondContact O-N 2.93Å; R83-N85 PolarHBondContact O-N 3.02Å
86L98.4Very high98.2Very high13 Ų1346.1 Ų46.17%0.06824%0.236CC..SBendtrans-84.7152.2173.2-69.3170.8000110.9I12 Y15 L16 V60 V82 R83 L90I12-L86 HydrophobicContact CG2-CD2 4.02Å; Y15-L86 HydrophobicContact CD2-CD2 4.29Å; Y15-L86 HydrophobicContact CG-CD2 4.36Å; L16-L86 HydrophobicContact CD2-CD2 4.3Å; L16-L86 HydrophobicContact CD2-CG 4.24Å; V60-L86 HydrophobicContact CG1-CD1 4.02Å; V60-L86 HydrophobicContact CG2-CD1 4.21Å; V82-L86 HydrophobicContact CG1-CD1 3.92Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 3.48Å; R83-L86 PolarHBondContact O-N 3.08Å; L86-L90 HydrophobicContact CD2-CD2 4.42Å
87P98Very high98.2Very high22 Ų2247 Ų4714%0.14323%0.225CC..PPolyproline II helixtrans-55.6140.2170.6-22.532.4000111.7Y15 L90 I103Y15-P87 HydrophobicContact CD1-CG 4.02Å; Y15-P87 HydrophobicContact CE1-CG 3.53Å; Y15-P87 HydrophobicContact CE2-CG 4.1Å; P87-L90 HydrophobicContact CB-CB 4.46Å; P87-L90 WeakPolarHBondContact O-CB 3.43Å; P87-L90 PolarHBondContact O-N 3.48Å; P87-I103 HydrophobicContact CB-CB 4.4Å; P87-I103 HydrophobicContact CB-CD1 3.81Å; P87-I103 HydrophobicContact CB-CG1 3.9Å; P87-I103 HydrophobicContact CB-CG2 3.63Å; P87-I103 HydrophobicContact CG-CD1 3.81Å; P87-I103 HydrophobicContact CG-CG1 4.3Å
88Q95.6Very high98.2Very high156 Ų15648.7 Ų48.773%0.72923%0.232SC*.THydrogen-bonded Turntrans-63.6136.7176.5-171.91751800110.8L90 G104Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.37Å; Q88-G104 PolarHBondContact O-N 3.38Å
89D97.4Very high98.2Very high33 Ų3343.2 Ų43.218%0.17621%0.206CC..THydrogen-bonded Turntrans49.951.3-177.7-53.5-43.2000112.2V60 G61 G104V60-D89 CarbonylContact O-C 3.58Å; V60-D89 VanDerWaalsContact O-CA 3.31Å; V60-D89 WeakPolarHBondContact O-CA 3.48Å; V60-D89 PolarHBondContact O-N 2.94Å; G61-D89 WeakPolarHBondContact CA-OD1 3.46Å; D89-G104 PolarHBondContact O-N 3.14Å
90L98.6Very high98.2Very high2 Ų241.5 Ų41.51%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-76.3130174174.867.2000109.7F11 H59 V60 L86 P87 Q88 V92 Y101 Q102 I103F11-L90 HydrophobicContact CE1-CD1 3.93Å; F11-L90 HydrophobicContact CE1-CD2 4.37Å; F11-L90 HydrophobicContact CZ-CD1 4.26Å; H59-L90 CarbonylContact C-O 3.55Å; H59-L90 WeakPolarHBondContact CA-O 3.32Å; H59-L90 PolarHBondContact ND1-O 3.42Å; V60-L90 HydrophobicContact CB-CB 4.43Å; V60-L90 PolarHBondContact N-O 3.48Å; V60-L90 PolarHBondContact O-N 3.47Å; L86-L90 HydrophobicContact CD2-CD2 4.42Å; P87-L90 HydrophobicContact CB-CB 4.46Å; P87-L90 WeakPolarHBondContact O-CB 3.43Å; P87-L90 PolarHBondContact O-N 3.48Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.37Å; L90-V92 HydrophobicContact CD1-CG2 4.02Å; L90-V92 HydrophobicContact CD2-CG2 4.17Å; L90-V92 HydrophobicContact CG-CG2 4Å; L90-Y101 HydrophobicContact CD1-CD2 4.26Å; L90-Q102 WeakPolarHBondContact CA-O 3.4Å; L90-I103 HydrophobicContact CD1-CG1 3.84Å
91S98.7Very high98.3Very high11 Ų1138.3 Ų38.38%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-123.7134.3167.6-55.70000109.4I58 H59 Y101 Q102I58-S91 CarbonylContact O-C 3.57Å; I58-S91 WeakPolarHBondContact O-CA 3.45Å; H59-S91 PolarHBondContact ND1-OG 3.12Å; S91-Y101 CarbonylContact O-C 3.55Å; S91-Y101 WeakPolarHBondContact O-CA 3.36Å; S91-Y101 WeakPolarHBondContact O-CB 3.42Å; S91-Q102 PolarHBondContact N-O 3.43Å; S91-Q102 PolarHBondContact O-N 3.07Å
92V98.9Very high98.3Very high1 Ų136.9 Ų36.91%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-127.6120.3178.1-174.40000109.1A8 F11 I12 C57 I58 L90 I94 V99 S100A8-V92 HydrophobicContact CB-CG1 4.13Å; F11-V92 HydrophobicContact CD1-CG2 4.36Å; F11-V92 HydrophobicContact CE1-CG2 4.13Å; I12-V92 HydrophobicContact CD1-CG2 4.48Å; I12-V92 HydrophobicContact CG1-CG2 4.49Å; C57-V92 WeakPolarHBondContact CA-O 3.25Å; I58-V92 HydrophobicContact CB-CB 4.4Å; I58-V92 PolarHBondContact N-O 3.36Å; I58-V92 PolarHBondContact O-N 2.95Å; L90-V92 HydrophobicContact CD1-CG2 4.02Å; L90-V92 HydrophobicContact CD2-CG2 4.17Å; L90-V92 HydrophobicContact CG-CG2 4Å; V92-I94 HydrophobicContact CG1-CG1 4.22Å; V92-V99 HydrophobicContact CG1-CG1 4.35Å; V92-S100 CarbonylContact C-O 3.54Å; V92-S100 WeakPolarHBondContact CA-O 3.41Å
93W98.9Very high98.3Very high54 Ų5440 Ų4021%0.20519%0.189CC..EExtended strand (participates in β ladder)trans-96.4129.1173.6-63.4-89.5000109.5V99 S100 Q102 V109W93-V99 WeakPolarHBondContact O-CA 3.41Å; W93-S100 PolarHBondContact N-O 3.05Å; W93-S100 PolarHBondContact O-N 2.86Å; W93-S100 VanDerWaalsContact O-N 3.1Å; W93-Q102 HydrophobicContact CH2-CB 3.75Å; W93-Q102 HydrophobicContact CZ3-CB 3.61Å; W93-V109 HydrophobicContact CZ3-CG1 4.4Å; W93-V109 HydrophobicContact CZ3-CG2 4.24Å
94I98.8Very high98.2Very high0 Ų035.8 Ų35.80%018%0.179CC..EExtended strand (participates in β ladder)trans-121.695178.1-48.7-176.4000106.5E4 I5 A8 L36 Y40 W44 R56 I58 V92 V99E4-I94 HydrophobicContact CB-CG2 3.81Å; I5-I94 HydrophobicContact CG1-CG2 4.35Å; A8-I94 HydrophobicContact CB-CD1 3.3Å; A8-I94 HydrophobicContact CB-CG1 3.8Å; L36-I94 HydrophobicContact CD1-CD1 4.29Å; Y40-I94 HydrophobicContact CE2-CB 3.9Å; Y40-I94 HydrophobicContact CE2-CD1 4.23Å; Y40-I94 HydrophobicContact CE2-CG2 3.96Å; Y40-I94 WeakPolarHBondContact OH-CD1 3.39Å; W44-I94 HydrophobicContact CH2-CG2 4.22Å; W44-I94 HydrophobicContact CZ3-CG2 4.23Å; W44-I94 WeakPolarHBondContact CZ3-O 3.41Å; R56-I94 PolarHBondContact NE-O 3.39Å; I58-I94 HydrophobicContact CD1-CD1 3.82Å; V92-I94 HydrophobicContact CG1-CG1 4.22Å; I94-V99 HydrophobicContact CG2-CG2 4.38Å
95D98.6Very high98Very high5 Ų537.7 Ų37.73%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-116.5158.3-174.6-67.2-20.5000109.8W44 S53 R56 Y97 E98W44-D95 WeakPolarHBondContact CH2-O 3.35Å; S53-D95 WeakPolarHBondContact CA-OD1 3.42Å; S53-D95 WeakPolarHBondContact CB-OD1 3.2Å; S53-D95 VanDerWaalsContact CB-OD2 3.25Å; S53-D95 WeakPolarHBondContact CB-OD2 3.48Å; S53-D95 PolarHBondContact OG-OD1 3.1Å; S53-D95 PolarHBondContact OG-OD2 2.79Å; R56-D95 IonicContact CZ-OD1 2.92Å; R56-D95 IonicContact NE-OD1 2.84Å; R56-D95 PolarHBondContact NE-OD1 3.34Å; R56-D95 IonicContact NH2-OD1 3.45Å; R56-D95 PolarHBondContact NH2-OD1 2.71Å; D95-Y97 PolarHBondContact O-N 3.44Å; D95-E98 CarbonylContact C-O 3.47Å; D95-E98 PolarHBondContact N-O 3.3Å; D95-E98 PolarHBondContact O-N 2.82Å
96P98.4Very high97.8Very high4 Ų445.1 Ų45.13%0.02622%0.215CC..THydrogen-bonded Turntrans-51.5127170.1-24.632.7000110.6W44 P49 E98W44-P96 HydrophobicContact CD2-CG 4.04Å; W44-P96 HydrophobicContact CG-CG 4.47Å; W44-P96 HydrophobicContact CH2-CG 4.38Å; W44-P96 VanDerWaalsContact CZ2-CA 3.42Å; W44-P96 HydrophobicContact CZ2-CB 4.02Å; W44-P96 HydrophobicContact CZ2-CG 3.83Å; P49-P96 HydrophobicContact CB-CB 4.09Å; P49-P96 HydrophobicContact CB-CG 4.26Å; P49-P96 HydrophobicContact CG-CB 4.33Å; P96-E98 PolarHBondContact O-N 3.48Å
97Y97.7Very high97.7Very high69 Ų6945.3 Ų45.327%0.27122%0.22SC..THydrogen-bonded Turntrans70.1-4.2178.6-39.6-69.1000116.3P46 P49 D95 V114 D115 N118P46-Y97 HydrophobicContact CB-CE2 4.28Å; P46-Y97 WeakPolarHBondContact CB-OH 3.38Å; P46-Y97 WeakPolarHBondContact O-CE2 3.23Å; P49-Y97 HydrophobicContact CG-CD2 4.07Å; P49-Y97 HydrophobicContact CG-CE2 4.29Å; D95-Y97 PolarHBondContact O-N 3.44Å; Y97-V114 CarbonylContact O-C 3.47Å; Y97-V114 VanDerWaalsContact O-CA 3.26Å; Y97-V114 WeakPolarHBondContact O-CA 3.28Å; Y97-D115 HydrophobicContact CD1-CB 4.42Å; Y97-D115 PolarHBondContact O-N 3.46Å; Y97-N118 HydrophobicContact CE1-CB 4.5Å; Y97-N118 WeakPolarHBondContact CE2-ND2 3.47Å
98E98.4Very high97.7Very high50 Ų5048.8 Ų48.823%0.23424%0.243CC..EExtended strand (participates in β ladder)trans-143.4136.2-179.5-166.9-173.7121.100112.3D95 P96 S100 V111 Y113D95-E98 CarbonylContact C-O 3.47Å; D95-E98 PolarHBondContact N-O 3.3Å; D95-E98 PolarHBondContact O-N 2.82Å; P96-E98 PolarHBondContact O-N 3.48Å; E98-S100 WeakPolarHBondContact OE1-CB 3.37Å; E98-S100 PolarHBondContact OE1-OG 2.97Å; E98-V111 HydrophobicContact CG-CG1 4.4Å; E98-Y113 CarbonylContact C-O 2.98Å; E98-Y113 WeakPolarHBondContact CA-O 3.47Å
99V98.8Very high97.8Very high0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-123122.2164.3-174.60000108.2E4 V7 A8 V92 W93 I94 L112 Y113E4-V99 HydrophobicContact CB-CG2 3.57Å; E4-V99 HydrophobicContact CG-CG2 4.14Å; E4-V99 WeakPolarHBondContact O-CG2 3.27Å; V7-V99 HydrophobicContact CB-CG2 4.37Å; V7-V99 HydrophobicContact CG1-CB 4.26Å; V7-V99 HydrophobicContact CG1-CG1 4.32Å; V7-V99 HydrophobicContact CG1-CG2 4.43Å; A8-V99 HydrophobicContact CB-CG1 3.94Å; V92-V99 HydrophobicContact CG1-CG1 4.35Å; W93-V99 WeakPolarHBondContact O-CA 3.41Å; I94-V99 HydrophobicContact CG2-CG2 4.38Å; V99-L112 HydrophobicContact CB-CB 4.39Å; V99-L112 HydrophobicContact CG1-CB 4.29Å; V99-L112 HydrophobicContact CG1-CD1 4.08Å; V99-L112 PolarHBondContact O-N 3.01Å; V99-Y113 HydrophobicContact CG2-CD1 4.23Å; V99-Y113 PolarHBondContact N-O 3.09Å; V99-Y113 PolarHBondContact O-N 3.4Å; V99-Y113 VanDerWaalsContact O-N 3.13Å
100S98.8Very high97.8Very high6 Ų649.1 Ų49.14%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-137.1161.4-179.654.80000111.3V92 W93 E98 K110V92-S100 CarbonylContact C-O 3.54Å; V92-S100 WeakPolarHBondContact CA-O 3.41Å; W93-S100 PolarHBondContact N-O 3.05Å; W93-S100 PolarHBondContact O-N 2.86Å; W93-S100 VanDerWaalsContact O-N 3.1Å; E98-S100 WeakPolarHBondContact OE1-CB 3.37Å; E98-S100 PolarHBondContact OE1-OG 2.97Å; S100-K110 CarbonylContact C-O 3.5Å; S100-K110 WeakPolarHBondContact CA-O 3.04Å; S100-K110 WeakPolarHBondContact CB-O 3.46Å
101Y98.9Very high97.8Very high32 Ų3252.9 Ų52.913%0.12527%0.27CS..EExtended strand (participates in β ladder)trans-144.5159-178.374.6-78.7000112.1F11 L90 S91 I103 V109 K110 L112F11-Y101 HydrophobicContact CE1-CD2 4.14Å; F11-Y101 HydrophobicContact CE1-CG 4.01Å; F11-Y101 HydrophobicContact CE2-CD1 4.38Å; F11-Y101 HydrophobicContact CE2-CD2 4.33Å; F11-Y101 HydrophobicContact CE2-CE1 4.17Å; F11-Y101 HydrophobicContact CE2-CE2 4.15Å; F11-Y101 HydrophobicContact CE2-CG 4.43Å; F11-Y101 HydrophobicContact CZ-CD1 4.12Å; F11-Y101 AromaticContact CZ-CD2 3.54Å; F11-Y101 HydrophobicContact CZ-CD2 3.54Å; F11-Y101 HydrophobicContact CZ-CE1 4.26Å; F11-Y101 AromaticContact CZ-CE2 3.74Å; F11-Y101 HydrophobicContact CZ-CE2 3.74Å; F11-Y101 AromaticContact CZ-CG 3.73Å; F11-Y101 HydrophobicContact CZ-CG 3.73Å; L90-Y101 HydrophobicContact CD1-CD2 4.26Å; S91-Y101 CarbonylContact O-C 3.55Å; S91-Y101 WeakPolarHBondContact O-CA 3.36Å; S91-Y101 WeakPolarHBondContact O-CB 3.42Å; Y101-I103 HydrophobicContact CD2-CD1 4.07Å; Y101-I103 HydrophobicContact CD2-CG1 3.85Å; Y101-I103 HydrophobicContact CE2-CD1 3.67Å; Y101-I103 HydrophobicContact CE2-CG1 3.91Å; Y101-V109 CarbonylContact O-C 3.42Å; Y101-V109 WeakPolarHBondContact O-CA 3.34Å; Y101-K110 HydrophobicContact CD1-CB 3.98Å; Y101-K110 VanDerWaalsContact CD1-O 3.28Å; Y101-K110 WeakPolarHBondContact CD1-O 3.26Å; Y101-K110 HydrophobicContact CE1-CB 3.46Å; Y101-K110 VanDerWaalsContact CE1-CB 3.46Å; Y101-K110 HydrophobicContact CE1-CD 4.35Å; Y101-K110 HydrophobicContact CE2-CB 4.33Å; Y101-K110 HydrophobicContact CE2-CD 4.24Å; Y101-K110 PolarHBondContact N-O 2.96Å; Y101-K110 PolarHBondContact O-N 2.77Å; Y101-K110 VanDerWaalsContact OH-CD 3.23Å; Y101-K110 WeakPolarHBondContact OH-CD 3.34Å; Y101-L112 HydrophobicContact CD1-CD1 3.82Å; Y101-L112 HydrophobicContact CD1-CD2 3.82Å; Y101-L112 HydrophobicContact CD1-CG 3.57Å; Y101-L112 HydrophobicContact CE1-CD1 4.41Å; Y101-L112 HydrophobicContact CE1-CD2 3.55Å; Y101-L112 HydrophobicContact CE1-CG 3.83Å
102Q98.7Very high97.8Very high40 Ų4055.2 Ų55.219%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-132.9139.5172.8-179.3-176.341.700108.4L90 S91 W93 G107 V109L90-Q102 WeakPolarHBondContact CA-O 3.4Å; S91-Q102 PolarHBondContact N-O 3.43Å; S91-Q102 PolarHBondContact O-N 3.07Å; W93-Q102 HydrophobicContact CH2-CB 3.75Å; W93-Q102 HydrophobicContact CZ3-CB 3.61Å; Q102-G107 WeakPolarHBondContact CG-O 3.43Å; Q102-G107 PolarHBondContact NE2-O 3.13Å; Q102-V109 HydrophobicContact CB-CG2 4.4Å
103I98.4Very high97.8Very high65 Ų6557.6 Ų57.633%0.33329%0.29SS..EExtended strand (participates in β ladder)trans-118.2124.4173.9-64.6173.2000108P87 L90 Y101 G107P87-I103 HydrophobicContact CB-CB 4.4Å; P87-I103 HydrophobicContact CB-CD1 3.81Å; P87-I103 HydrophobicContact CB-CG1 3.9Å; P87-I103 HydrophobicContact CB-CG2 3.63Å; P87-I103 HydrophobicContact CG-CD1 3.81Å; P87-I103 HydrophobicContact CG-CG1 4.3Å; L90-I103 HydrophobicContact CD1-CG1 3.84Å; Y101-I103 HydrophobicContact CD2-CD1 4.07Å; Y101-I103 HydrophobicContact CD2-CG1 3.85Å; Y101-I103 HydrophobicContact CE2-CD1 3.67Å; Y101-I103 HydrophobicContact CE2-CG1 3.91Å; I103-G107 VanDerWaalsContact O-CA 3.3Å; I103-G107 WeakPolarHBondContact O-CA 3.45Å
104G96.6Very high97.7Very high21 Ų2158.3 Ų58.322%0.21630%0.301CS..SBendtrans80.8149.5-175.200000112.4Q88 D89 K106 G107Q88-G104 PolarHBondContact O-N 3.38Å; D89-G104 PolarHBondContact O-N 3.14Å; G104-K106 PolarHBondContact O-N 3Å; G104-G107 PolarHBondContact O-N 3.27Å
105E92.6Very high97.4Very high162 Ų16261 Ų6176%0.75732%0.315SS*.THydrogen-bonded Turntrans-54.6-31.2-178-60.1-176.5159.700114.3
106K94.1Very high96.4Very high201 Ų20166.3 Ų66.387%0.87434%0.343SS*.THydrogen-bonded Turntrans-114.714.8-179.5-60.1-172.2-179.4-179.70113.2G104G104-K106 PolarHBondContact O-N 3Å
107G96.3Very high95.2Very high17 Ų1769.6 Ų69.618%0.17537%0.366CS..PPolyproline II helixtrans-65.9152177.800000111.9Q102 I103 G104Q102-G107 WeakPolarHBondContact CG-O 3.43Å; Q102-G107 PolarHBondContact NE2-O 3.13Å; I103-G107 VanDerWaalsContact O-CA 3.3Å; I103-G107 WeakPolarHBondContact O-CA 3.45Å; G104-G107 PolarHBondContact O-N 3.27Å
108P97.7Very high93.2Very high96 Ų9669.6 Ų69.662%0.62337%0.371SS*.PPolyproline II helixtrans-68.3146.916830.4-34.1000110.2
109V98.3Very high91.2Very high85 Ų8574.3 Ų74.352%0.51539%0.393SS..PPolyproline II helixtrans-74133.3168.4-178.70000108.6W93 Y101 Q102W93-V109 HydrophobicContact CZ3-CG1 4.4Å; W93-V109 HydrophobicContact CZ3-CG2 4.24Å; Y101-V109 CarbonylContact O-C 3.42Å; Y101-V109 WeakPolarHBondContact O-CA 3.34Å; Q102-V109 HydrophobicContact CB-CG2 4.4Å
110K98.6Very high88.9Confident110 Ų11079.1 Ų79.148%0.47843%0.427SS..EExtended strand (participates in β ladder)trans-123.5138.8178.9-70.5-179.3176.7-178.50110S100 Y101S100-K110 CarbonylContact C-O 3.5Å; S100-K110 WeakPolarHBondContact CA-O 3.04Å; S100-K110 WeakPolarHBondContact CB-O 3.46Å; Y101-K110 HydrophobicContact CD1-CB 3.98Å; Y101-K110 VanDerWaalsContact CD1-O 3.28Å; Y101-K110 WeakPolarHBondContact CD1-O 3.26Å; Y101-K110 HydrophobicContact CE1-CB 3.46Å; Y101-K110 VanDerWaalsContact CE1-CB 3.46Å; Y101-K110 HydrophobicContact CE1-CD 4.35Å; Y101-K110 HydrophobicContact CE2-CB 4.33Å; Y101-K110 HydrophobicContact CE2-CD 4.24Å; Y101-K110 PolarHBondContact N-O 2.96Å; Y101-K110 PolarHBondContact O-N 2.77Å; Y101-K110 VanDerWaalsContact OH-CD 3.23Å; Y101-K110 WeakPolarHBondContact OH-CD 3.34Å
111V98.5Very high86.8Confident81 Ų8184.5 Ų84.549%0.49146%0.459SS..EExtended strand (participates in β ladder)trans-89.9131.4-179.9-179.20000109.8E98 Y113 V114E98-V111 HydrophobicContact CG-CG1 4.4Å; V111-Y113 WeakPolarHBondContact CG1-O 3.33Å; V111-V114 HydrophobicContact CG1-CB 4.02Å; V111-V114 HydrophobicContact CG1-CG1 4.27Å
112L98.3Very high84.5Confident61 Ų6187.4 Ų87.432%0.31949%0.489SS..EExtended strand (participates in β ladder)trans-95.8-35171.4-66.4169.4000111.5V7 F11 V99 Y101V7-L112 HydrophobicContact CG1-CB 3.83Å; F11-L112 HydrophobicContact CB-CD1 3.69Å; F11-L112 HydrophobicContact CB-CD2 4.49Å; F11-L112 HydrophobicContact CD1-CD1 3.75Å; F11-L112 HydrophobicContact CD2-CD1 3.93Å; F11-L112 HydrophobicContact CD2-CD2 3.74Å; F11-L112 HydrophobicContact CE1-CD1 4.36Å; F11-L112 HydrophobicContact CE2-CD2 4.19Å; F11-L112 HydrophobicContact CG-CD1 3.5Å; F11-L112 HydrophobicContact CG-CD2 4.17Å; V99-L112 HydrophobicContact CB-CB 4.39Å; V99-L112 HydrophobicContact CG1-CB 4.29Å; V99-L112 HydrophobicContact CG1-CD1 4.08Å; V99-L112 PolarHBondContact O-N 3.01Å; Y101-L112 HydrophobicContact CD1-CD1 3.82Å; Y101-L112 HydrophobicContact CD1-CD2 3.82Å; Y101-L112 HydrophobicContact CD1-CG 3.57Å; Y101-L112 HydrophobicContact CE1-CD1 4.41Å; Y101-L112 HydrophobicContact CE1-CD2 3.55Å; Y101-L112 HydrophobicContact CE1-CG 3.83Å
113Y98.4Very high81.9Confident50 Ų5089 Ų8920%0.19652%0.516CS..EExtended strand (participates in β ladder)trans-150.2137.6179.3169.3-104.2000109.3L3 E4 V7 E98 V99 V111 D115L3-Y113 HydrophobicContact CD2-CE2 4.17Å; L3-Y113 WeakPolarHBondContact CD2-OH 3.38Å; E4-Y113 HydrophobicContact CG-CD1 4.1Å; E4-Y113 HydrophobicContact CG-CE1 3.87Å; V7-Y113 HydrophobicContact CG2-CG 4.39Å; E98-Y113 CarbonylContact C-O 2.98Å; E98-Y113 WeakPolarHBondContact CA-O 3.47Å; V99-Y113 HydrophobicContact CG2-CD1 4.23Å; V99-Y113 PolarHBondContact N-O 3.09Å; V99-Y113 PolarHBondContact O-N 3.4Å; V99-Y113 VanDerWaalsContact O-N 3.13Å; V111-Y113 WeakPolarHBondContact CG1-O 3.33Å; Y113-D115 HydrophobicContact CE1-CB 4.29Å; Y113-D115 WeakPolarHBondContact OH-CB 3.43Å; Y113-D115 PolarHBondContact OH-OD2 3.01Å
114V97.3Very high79.4Confident70 Ų7094.1 Ų94.142%0.42455%0.545SS..EExtended strand (participates in β ladder)trans-139.9138.8166.461.20000107.3Y97 V111Y97-V114 CarbonylContact O-C 3.47Å; Y97-V114 VanDerWaalsContact O-CA 3.26Å; Y97-V114 WeakPolarHBondContact O-CA 3.28Å; V111-V114 HydrophobicContact CG1-CB 4.02Å; V111-V114 HydrophobicContact CG1-CG1 4.27Å
115D92.6Very high77.1Confident56 Ų5696.4 Ų96.430%0.29957%0.568SS.*  trans-102.3101.3172.9-163-12000110.2Y97 Y113 S117Y97-D115 HydrophobicContact CD1-CB 4.42Å; Y97-D115 PolarHBondContact O-N 3.46Å; Y113-D115 HydrophobicContact CE1-CB 4.29Å; Y113-D115 WeakPolarHBondContact OH-CB 3.43Å; Y113-D115 PolarHBondContact OH-OD2 3.01Å; D115-S117 PolarHBondContact O-N 3.28Å; D115-S117 VanDerWaalsContact OD1-CB 3.31Å; D115-S117 WeakPolarHBondContact OD1-CB 3.31Å; D115-S117 PolarHBondContact OD1-N 2.64Å; D115-S117 VanDerWaalsContact OD1-N 3.17Å; D115-S117 PolarHBondContact OD1-OG 2.87Å; D115-S117 PolarHBondContact OD2-OG 3.19Å
116D77.2Confident75Confident116 Ų11692.6 Ų92.662%0.6257%0.572SS**G310 helixtrans-72.6-6.6-179.2-58.2-32.4000112.8N118 E119D116-N118 VanDerWaalsContact C-N 3.27Å; D116-N118 PolarHBondContact O-N 3.48Å; D116-E119 PolarHBondContact O-N 3.25Å
117S73.1Confident73.2Confident73 Ų7387.7 Ų87.751%0.5156%0.559SS.*G310 helixtrans-70.5-19.4-173.762.90000114.4D115 S120D115-S117 PolarHBondContact O-N 3.28Å; D115-S117 VanDerWaalsContact OD1-CB 3.31Å; D115-S117 WeakPolarHBondContact OD1-CB 3.31Å; D115-S117 PolarHBondContact OD1-N 2.64Å; D115-S117 VanDerWaalsContact OD1-N 3.17Å; D115-S117 PolarHBondContact OD1-OG 2.87Å; D115-S117 PolarHBondContact OD2-OG 3.19Å; S117-S120 PolarHBondContact O-OG 2.94Å
118N56.9Low71.1Confident69 Ų6990.7 Ų90.737%0.36957%0.571SS.*G310 helixtrans-85.5-10.3179.8-163.524.3000114.1Y97 D116 S120Y97-N118 HydrophobicContact CE1-CB 4.5Å; Y97-N118 WeakPolarHBondContact CE2-ND2 3.47Å; D116-N118 VanDerWaalsContact C-N 3.27Å; D116-N118 PolarHBondContact O-N 3.48Å; N118-S120 PolarHBondContact O-N 2.97Å; N118-S120 VanDerWaalsContact O-N 3.16Å
119E54.8Low68.9Low150 Ų15092 Ų9270%0.70157%0.572SS**G310 helixtrans-70.6-8.3175.7-138.5-170.4153.800112.5D116D116-E119 PolarHBondContact O-N 3.25Å
120S52Low66.8Low101 Ų10193 Ų9371%0.70658%0.575SS**G310 helixtrans-88.4-7.1-178.6650000115.5S117 N118S117-S120 PolarHBondContact O-OG 2.94Å; N118-S120 PolarHBondContact O-N 2.97Å; N118-S120 VanDerWaalsContact O-N 3.16Å
121V53.6Low64.8Low119 Ų11994.4 Ų94.472%0.72158%0.581SS**THydrogen-bonded Turntrans-118.5-10.3-172.1-173.60000114
122A51.6Low62.7Low92 Ų9297.6 Ų97.676%0.7659%0.59SS**SBendtrans-122.470.5-177.900000113.3
123G42.9Very low60.7Low73 Ų7399 Ų9975%0.75360%0.598SS**  trans129.9125.2153.200000116.3
124N45.7Very low58.6Low173 Ų173104.9 Ų104.993%0.92562%0.624SS**  trans-38.3132.5166.1-83.6-23000114.8
125G49Very low56.6Low69 Ų69108.7 Ų108.771%0.71164%0.642SS**SBendtrans72.585.413100000118.3
126G49.3Very low54.8Low82 Ų82110.8 Ų110.885%0.84566%0.661SS**  69.160.6129.600000119.3
127V55.4Low53.7Low99 Ų99112.5 Ų112.560%0.666%0.663SS**  trans-137.46.6170.2-66.30000116.7
128D51Low53.3Low80 Ų80113.8 Ų113.843%0.42867%0.665SS.*SBendtrans-112.110.4178.9-77.6-65000115.2K131D128-K131 IonicContact OD1-NZ 3.46Å; D128-K131 PolarHBondContact OD1-NZ 3.41Å
129L53.6Low53.5Low122 Ų122116.5 Ų116.564%0.63969%0.686SS**Hα-helixtrans-75.3-16.7162.4-155.869.9000111.7I133L129-I133 HydrophobicContact CD2-CD1 4.4Å; L129-I133 HydrophobicContact CG-CD1 4.04Å; L129-I133 VanDerWaalsContact O-CD1 3.28Å; L129-I133 WeakPolarHBondContact O-CD1 3.43Å; L129-I133 VanDerWaalsContact O-CG1 3.22Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å
130D53.5Low53.4Low106 Ų106115.9 Ų115.957%0.56769%0.687SS**Hα-helixtrans-81.5-28.9-172.6-42.9-32.8000112.5K134D130-K134 PolarHBondContact O-N 3.34Å
131K55.9Low53.8Low141 Ų141113.6 Ų113.661%0.61367%0.674SS**Hα-helixtrans-79.2-34.6-179.7-76.4-175.5-161.4128.40112.9D128D128-K131 IonicContact OD1-NZ 3.46Å; D128-K131 PolarHBondContact OD1-NZ 3.41Å
132E54Low53.9Low147 Ų147116.4 Ų116.469%0.68768%0.68SS**Hα-helixtrans-72.5-34.4178.3-159.4174-164.300111.5
133I56.2Low54.3Low92 Ų92117.6 Ų117.647%0.47268%0.677SS.*Hα-helixtrans-72-32.4177.3-63170.9000112L129 N135 S136L129-I133 HydrophobicContact CD2-CD1 4.4Å; L129-I133 HydrophobicContact CG-CD1 4.04Å; L129-I133 VanDerWaalsContact O-CD1 3.28Å; L129-I133 WeakPolarHBondContact O-CD1 3.43Å; L129-I133 VanDerWaalsContact O-CG1 3.22Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; I133-N135 VanDerWaalsContact C-N 3.28Å; I133-N135 PolarHBondContact O-N 2.96Å; I133-S136 PolarHBondContact O-N 3.36Å
134K54.2Low54.7Low172 Ų172123.2 Ų123.275%0.74868%0.681SS**Hα-helixtrans-70.5-21.1-177.7-165.6173.2177.8-176.90114D130D130-K134 PolarHBondContact O-N 3.34Å
135N55.7Low55.2Low150 Ų150122.1 Ų122.180%0.80267%0.673SS**THydrogen-bonded Turntrans-91.8-1178.2-70-16.5000113.8I133I133-N135 VanDerWaalsContact C-N 3.28Å; I133-N135 PolarHBondContact O-N 2.96Å
136S54.8Low55.3Low101 Ų101124.1 Ų124.171%0.70667%0.673SS**SBendtrans-101.5-1.4179.2-66.40000114.2I133I133-S136 PolarHBondContact O-N 3.36Å
137F54.9Low55.3Low151 Ų151127.3 Ų127.366%0.66267%0.669SS**SBendtrans-96.4117.2177-96.3-93.9000111.1P139F137-P139 WeakPolarHBondContact O-CD 3.34Å
138N65.1Low55.2Low101 Ų101127.6 Ų127.654%0.5468%0.675SS.*  trans-55.4118.2168.6178.27.4000109.3D140 A141N138-D140 PolarHBondContact O-N 3.05Å; N138-D140 VanDerWaalsContact O-N 3.11Å; N138-D140 PolarHBondContact OD1-N 3.17Å; N138-A141 HydrophobicContact CB-CB 4.28Å; N138-A141 WeakPolarHBondContact O-CB 3.22Å; N138-A141 PolarHBondContact O-N 3.22Å
139P61.4Low55.3Low125 Ų125132.4 Ų132.481%0.81270%0.695SS**THydrogen-bonded Turntrans-64-16.4-177.626-34.6000113.6F137F137-P139 WeakPolarHBondContact O-CD 3.34Å
140D51.6Low54.9Low137 Ų137132.1 Ų132.173%0.73370%0.701SS**THydrogen-bonded Turntrans-89.9-2.5176.7-63.6-25.7000113.4N138 Q142N138-D140 PolarHBondContact O-N 3.05Å; N138-D140 VanDerWaalsContact O-N 3.11Å; N138-D140 PolarHBondContact OD1-N 3.17Å; D140-Q142 PolarHBondContact O-N 3.29Å; D140-Q142 VanDerWaalsContact O-N 3.11Å
141A60.2Low54.8Low53 Ų53135.4 Ų135.444%0.43872%0.717SS.*  trans-75.3102.3176.300000110.1N138 V143N138-A141 HydrophobicContact CB-CB 4.28Å; N138-A141 WeakPolarHBondContact O-CB 3.22Å; N138-A141 PolarHBondContact O-N 3.22Å; A141-V143 PolarHBondContact O-N 2.81Å; A141-V143 VanDerWaalsContact O-N 3.1Å
142Q56.3Low54.3Low179 Ų179136.4 Ų136.484%0.83673%0.73SS**  trans-59.2112.4166.9-68.2-71.2-26.600109D140 F144D140-Q142 PolarHBondContact O-N 3.29Å; D140-Q142 VanDerWaalsContact O-N 3.11Å; Q142-F144 PolarHBondContact O-N 3.1Å
143V59.7Low54.2Low117 Ų117132.5 Ų132.571%0.70973%0.729SS**  trans-58.6120.8172.4170.50000107.8A141 M145A141-V143 PolarHBondContact O-N 2.81Å; A141-V143 VanDerWaalsContact O-N 3.1Å; V143-M145 PolarHBondContact O-N 3.33Å
144F50.3Low53.8Low190 Ų190135 Ų13583%0.83375%0.749SS**  trans-61.7102.8177.1-135.1-96.2000108.4Q142Q142-F144 PolarHBondContact O-N 3.1Å
145M56.3Low53.6Low151 Ų151132.6 Ų132.674%0.74475%0.753SS**  trans-67.8128.7171.3-69-124.868.200107.9V143 I147V143-M145 PolarHBondContact O-N 3.33Å; M145-I147 PolarHBondContact O-N 3.18Å
146P51.7Low53.4Low110 Ų110131.4 Ų131.471%0.71475%0.754SS**  trans-60.3129.6171.122.8-29.1000108.3S148P146-S148 PolarHBondContact O-N 3.02Å
147I50.2Low52.6Low149 Ų149130.1 Ų130.176%0.76476%0.756SS**  trans-60.6102.6179.9-59.6167.7000107.5M145 E149M145-I147 PolarHBondContact O-N 3.18Å; I147-E149 PolarHBondContact O-N 3.11Å
148S52.6Low52Low105 Ų105128.8 Ų128.873%0.73477%0.765SS**  trans-72108.9161.948.60000107.3P146 P150P146-S148 PolarHBondContact O-N 3.02Å; S148-P150 VanDerWaalsContact O-CD 3.28Å; S148-P150 WeakPolarHBondContact O-CD 3.28Å
149E52.4Low51.1Low182 Ų182129.6 Ų129.685%0.8578%0.779SS**PPolyproline II helixtrans-52.4122.5170.5-68.2-175.3158.300110.3I147I147-E149 PolarHBondContact O-N 3.11Å
150P45.8Very low50.2Low116 Ų116128.7 Ų128.775%0.75378%0.776SS**PPolyproline II helixtrans-88.5127.8159.613.53.7000109S148 N152S148-P150 VanDerWaalsContact O-CD 3.28Å; S148-P150 WeakPolarHBondContact O-CD 3.28Å; P150-N152 PolarHBondContact O-N 3.11Å
151L50.8Low50.2Low174 Ų174128.2 Ų128.291%0.91178%0.78SS**SBendtrans-50.5134161-12080.9000109.5
152N46.6Very low49.4Very low163 Ų163131.1 Ų131.187%0.87280%0.797SS**SBendtrans85.790.4158-128.943.4000118.4P150P150-N152 PolarHBondContact O-N 3.11Å
153G51.3Low49Very low65 Ų65128.1 Ų128.167%0.6779%0.793SS**  79.6121.812400000120
154T47.6Very low48.6Very low145 Ų145128.5 Ų128.589%0.8980%0.798SS**  trans77.1105.8158.728.90000119.2
155S51Low48.4Very low120 Ų120129.6 Ų129.684%0.83980%0.803SS**  trans-65.6156.8171.4-36.10000113.6
156P50.6Low47.5Very low126 Ų126125.2 Ų125.282%0.81880%0.797SS**  -137.5135.9129.333.2-18.5000114.7
157G38.8Very low46.9Very low73 Ų73129.1 Ų129.175%0.75381%0.805SS**  trans69.289.1130.800000119.8
158S40.8Very low46.4Very low123 Ų123128 Ų12886%0.8681%0.811SS**  trans-76.3117.5155.11610000109.8
159S46.3Very low45.8Very low119 Ų119127.9 Ų127.983%0.83282%0.816SS**  trans-108.2109.7167.538.70000110
160S43.8Very low45.4Very low106 Ų106123.4 Ų123.474%0.74181%0.81SS**  trans-137.9132.8167.4-141.40000109
161P51.3Low45Very low126 Ų126124.4 Ų124.482%0.81881%0.814SS**PPolyproline II helixtrans-85.9132.9-170.432.8-31.7000112.1
162S44.2Very low44.7Very low114 Ų114121.4 Ų121.480%0.79781%0.807SS**PPolyproline II helixtrans-83144.1168.9-53.20000111.1
163P46.5Very low44.9Very low116 Ų116119.7 Ų119.775%0.75381%0.805SS**PPolyproline II helixtrans-82.8152.2162.533.4-29.2000110.9
164P51.8Low44.9Very low126 Ų126123.1 Ų123.182%0.81881%0.813SS**PPolyproline II helixtrans-84.8153-168.133.6-34.3000113.6
165F46Very low44.9Very low212 Ų212124.7 Ų124.793%0.9381%0.808SS**PPolyproline II helixtrans-67.1138.1164-78.6-93.8000110.9
166G36.8Very low45.3Very low60 Ų60125.9 Ų125.962%0.61980%0.802SS**  trans-149.7101.4174.700000113.1
167H39.3Very low45Very low192 Ų192126.4 Ų126.489%0.88981%0.805SS**  trans59.2117.3145.7-50.9-75.4000122.3
168S41Very low45.3Very low126 Ų126133.7 Ų133.788%0.88181%0.81SS**  trans-45.9140.8160.2-45.40000115.2
169A38.3Very low45.8Very low102 Ų102132.6 Ų132.684%0.84380%0.802SS**  trans-137.8137.2141.200000108.5
170A45.4Very low46Very low88 Ų88133.4 Ų133.473%0.72780%0.802SS**  trans-52.5154.8-172.600000113
171V37.9Very low46.6Very low137 Ų137135.7 Ų135.783%0.8380%0.802SS**  -175.114565.9-81.70000108.4
172S42.7Very low46.6Very low110 Ų110134.5 Ų134.577%0.76979%0.794SS**  trans-73.4158.2164.4-50.50000110
173P52.2Low47.2Very low127 Ų127135.7 Ų135.783%0.82579%0.79SS**  -137151.982.633.3-16.9000114.8
174T51.1Low47.8Very low137 Ų137135.1 Ų135.184%0.8479%0.785SS**  trans-45.9124.9174.2-55.90000114.7
175F48Very low48.7Very low179 Ų179138.2 Ų138.279%0.78579%0.786SS**  trans-147.6104.7152.1-164.2-98.9000110.8
176M59.2Low50.1Low145 Ų145131.2 Ų131.271%0.71476%0.76SS**  trans43.3136.4162.1-57.4-164.6174.700120.7R178M176-R178 PolarHBondContact O-N 3.22Å
177P44.1Very low51.8Low136 Ų136134.2 Ų134.288%0.88377%0.767SS**  trans-67.6106.8174.928.7-32.8000110.6
178R45.7Very low53.3Low226 Ų226128.6 Ų128.685%0.85375%0.754SS**  trans-75.2122.1168.1-171.7174.2-174.5175.91.1108.1M176 T180M176-R178 PolarHBondContact O-N 3.22Å; R178-T180 PolarHBondContact O-N 3.28Å
179S49.7Very low54.8Low100 Ų100126.7 Ų126.770%0.69974%0.737SS**  trans-60.9120.1171.456.90000109.3Q181S179-Q181 VanDerWaalsContact C-N 3.27Å; S179-Q181 PolarHBondContact O-N 3.43Å; S179-Q181 VanDerWaalsContact O-N 3.07Å
180T51.5Low56.5Low136 Ų136128.4 Ų128.483%0.83473%0.726SS**  trans-80.278.117150.40000108.3R178R178-T180 PolarHBondContact O-N 3.28Å
181Q55.8Low57.6Low155 Ų155127 Ų12772%0.72472%0.715SS**  trans-90.9127.7159.1-71.2-71.9-2100107.3S179 L183S179-Q181 VanDerWaalsContact C-N 3.27Å; S179-Q181 PolarHBondContact O-N 3.43Å; S179-Q181 VanDerWaalsContact O-N 3.07Å; Q181-L183 PolarHBondContact O-N 3.16Å
182P50.8Low58.9Low100 Ų100124.8 Ų124.865%0.64971%0.71SS**  trans-61133.2174.825.2-31.5000109.5T184P182-T184 VanDerWaalsContact C-N 3.34Å; P182-T184 PolarHBondContact O-N 2.9Å
183L58.2Low60.3Low140 Ų140122.5 Ų122.573%0.73369%0.692SS**  trans-66.894172.8-92.594.9000109.2Q181 F185Q181-L183 PolarHBondContact O-N 3.16Å; L183-F185 HydrophobicContact CB-CE2 4.4Å; L183-F185 HydrophobicContact CD2-CZ 4.3Å
184T59.4Low60.7Low104 Ų104126 Ų12664%0.63869%0.694SS**  trans-80.9112.3167.241.40000109.7P182 T186P182-T184 VanDerWaalsContact C-N 3.34Å; P182-T184 PolarHBondContact O-N 2.9Å; T184-T186 PolarHBondContact O-N 2.6Å; T184-T186 VanDerWaalsContact O-N 3.07Å
185F69.3Low61Low190 Ų190129 Ų12983%0.83370%0.696SS**  trans-77.586.1171.3-64.7-86.3000109.4L183L183-F185 HydrophobicContact CB-CE2 4.4Å; L183-F185 HydrophobicContact CD2-CZ 4.3Å
186T75.6Confident61.3Low65 Ų65121.7 Ų121.740%0.39967%0.671SS.*  trans-86.6145.717474.70000110.7T184 A188 T189 F190T184-T186 PolarHBondContact O-N 2.6Å; T184-T186 VanDerWaalsContact O-N 3.07Å; T186-A188 PolarHBondContact O-N 3.27Å; T186-T189 WeakPolarHBondContact O-CB 3.28Å; T186-T189 PolarHBondContact O-N 3.39Å; T186-T189 PolarHBondContact OG1-N 3.37Å; T186-T189 PolarHBondContact OG1-OG1 2.91Å; T186-F190 PolarHBondContact O-N 3.27Å
187T72.6Confident61Low123 Ų123119.1 Ų119.176%0.75567%0.667SS**Hα-helixtrans-55.7-32.6174.4-470000112T189 F190 A191T187-T189 PolarHBondContact O-N 3.2Å; T187-F190 PolarHBondContact O-N 3.42Å; T187-A191 PolarHBondContact O-N 2.72Å
188A70.7Confident61.8Low75 Ų75119.3 Ų119.362%0.6267%0.666SS**Hα-helixtrans-63.3-39.2175.200000112.5T186 A191 A192T186-A188 PolarHBondContact O-N 3.27Å; A188-A191 PolarHBondContact O-N 3.03Å; A188-A192 PolarHBondContact O-N 2.9Å
189T73.7Confident62.3Low86 Ų86117.6 Ų117.653%0.52867%0.665SS.*Hα-helixtrans-65.7-38.1174.9-55.20000111.8T186 T187 A192T186-T189 WeakPolarHBondContact O-CB 3.28Å; T186-T189 PolarHBondContact O-N 3.39Å; T186-T189 PolarHBondContact OG1-N 3.37Å; T186-T189 PolarHBondContact OG1-OG1 2.91Å; T187-T189 PolarHBondContact O-N 3.2Å; T189-A192 PolarHBondContact O-N 3.27Å
190F72.3Confident62.4Low138 Ų138121.5 Ų121.561%0.60567%0.674SS**Hα-helixtrans-66.8-42.9176.8180-101.2000112.4T186 T187 A192 T193T186-F190 PolarHBondContact O-N 3.27Å; T187-F190 PolarHBondContact O-N 3.42Å; F190-A192 PolarHBondContact O-N 3.12Å; F190-T193 WeakPolarHBondContact O-CB 3.43Å; F190-T193 PolarHBondContact O-N 2.89Å; F190-T193 PolarHBondContact O-OG1 3.07Å
191A70.2Confident62.2Low59 Ų59124.5 Ų124.549%0.48868%0.675SS.*Hα-helixtrans-63-27.7178.500000113.4T187 A188 T193T187-A191 PolarHBondContact O-N 2.72Å; A188-A191 PolarHBondContact O-N 3.03Å; A191-T193 VanDerWaalsContact C-N 3.28Å; A191-T193 PolarHBondContact O-N 2.93Å
192A63.7Low62Low90 Ų90122.6 Ų122.674%0.74468%0.679SS**THydrogen-bonded Turntrans-75.8-12.6175.400000113.6A188 T189 F190A188-A192 PolarHBondContact O-N 2.9Å; T189-A192 PolarHBondContact O-N 3.27Å; F190-A192 PolarHBondContact O-N 3.12Å
193T72.3Confident61.5Low61 Ų61123.2 Ų123.237%0.37469%0.686SS.*SBendtrans-74.8148.6177.7700000111.5F190 A191 F195 G196F190-T193 WeakPolarHBondContact O-CB 3.43Å; F190-T193 PolarHBondContact O-N 2.89Å; F190-T193 PolarHBondContact O-OG1 3.07Å; A191-T193 VanDerWaalsContact C-N 3.28Å; A191-T193 PolarHBondContact O-N 2.93Å; T193-F195 PolarHBondContact O-N 2.88Å; T193-G196 PolarHBondContact O-N 3.27Å
194K61.4Low60.7Low202 Ų202120 Ų12088%0.87869%0.686SS**THydrogen-bonded Turntrans-55.6-18-176.5-170.2179178.2-1730114.6
195F57.2Low60.1Low199 Ų199127 Ų12787%0.87370%0.701SS**THydrogen-bonded Turntrans-97.6-9.4177.3-73.1-84.4000114.2T193T193-F195 PolarHBondContact O-N 2.88Å
196G53.4Low58.7Low25 Ų25125.8 Ų125.826%0.25870%0.703SS.*SBendtrans-92.5-3.3-178.600000115.6T193 T198T193-G196 PolarHBondContact O-N 3.27Å; G196-T198 PolarHBondContact O-N 3.41Å
197S53.8Low56.9Low92 Ų92125.9 Ų125.964%0.64372%0.717SS**  trans-91.487.4-177.9-172.60000111.8K199S197-K199 VanDerWaalsContact C-N 3.31Å; S197-K199 PolarHBondContact O-N 3.42Å
198T59.8Low55.3Low140 Ų140127 Ų12786%0.85972%0.718SS**  trans-8573.1164.454.90000109.8G196G196-T198 PolarHBondContact O-N 3.41Å
199K56.3Low53.9Low190 Ų190130.7 Ų130.783%0.82673%0.728SS**  trans-93.6109.3168.4-150.9179.4-173.5-178.30109.4S197 K201S197-K199 VanDerWaalsContact C-N 3.31Å; S197-K199 PolarHBondContact O-N 3.42Å; K199-K201 PolarHBondContact O-N 3.38Å
200M53.1Low52Low182 Ų182130.1 Ų130.190%0.89774%0.74SS**  trans-59.4124.8171-65.6-100.5-74.400109.6S202M200-S202 PolarHBondContact O-N 3.37Å
201K47.6Very low50.3Low198 Ų198129.8 Ų129.886%0.86175%0.754SS**  trans-81.7108.3175.7-177.1160.6177-179.60109.5K199 S203K199-K201 PolarHBondContact O-N 3.38Å; K201-S203 PolarHBondContact O-N 3.22Å
202S50.9Low48.6Very low115 Ų115130.7 Ų130.780%0.80477%0.77SS**  trans-69.5104.8167.360.90000109.6M200 G204M200-S202 PolarHBondContact O-N 3.37Å; S202-G204 PolarHBondContact O-N 3.33Å
203S39.8Very low47.5Very low113 Ų113131.9 Ų131.979%0.7978%0.779SS**  trans-82.395.6166.144.60000109.2K201K201-S203 PolarHBondContact O-N 3.22Å
204G42.6Very low45.8Very low72 Ų72132.8 Ų132.874%0.74280%0.801SS**  trans-63.7134.5167.600000111S202S202-G204 PolarHBondContact O-N 3.33Å
205R46Very low45Very low253 Ų253130.6 Ų130.696%0.95580%0.799SS**  trans-63.2130.4169.5-75172.3170.4163.4-3.5109.2
206N40.4Very low44.4Very low163 Ų163131 Ų13187%0.87280%0.8SS**  trans-130.1117159.3-14550.7000108.3
207G37.6Very low43.8Very low67 Ų67136.4 Ų136.469%0.69183%0.828SS**  trans-78.3146.4165.900000110.1
208N38.5Very low42.9Very low146 Ų146136.1 Ų136.178%0.78183%0.831SS**  169.3143.1106.3-152.316.5000110.4
209N40.3Very low41.9Very low153 Ų153140.6 Ų140.682%0.81883%0.832SS**  trans23.6132.3154.7-75.9-17000122.3
210G33.8Very low41.3Very low75 Ų75137.8 Ų137.877%0.77383%0.831SS**  trans168.2102.4155.700000115.4
211S38.3Very low40.5Very low130 Ų130134.7 Ų134.791%0.90983%0.827SS**  trans-32.9145.116249.70000117.1
212G34.5Very low40.5Very low79 Ų79131.1 Ų131.181%0.81482%0.824SS**  trans158.5113.7157.200000115
213A40.2Very low40.2Very low115 Ų115132 Ų13295%0.9583%0.825SS**  trans-58.6149.5174.200000113.6
214G35.3Very low40.2Very low80 Ų80134.5 Ų134.583%0.82583%0.829SS**  trans-178.190172.900000113
215N45.9Very low40.1Very low156 Ų156139.5 Ų139.583%0.83484%0.838SS**  trans-81.8112.9175.2-160.259.6000109.7
216K43.9Very low39.7Very low208 Ų208130.4 Ų130.490%0.90482%0.823SS**  trans-152.7141.9155.8-72.7-156.3-179.8-178.40113
217V40.9Very low40Very low138 Ų138130.5 Ų130.584%0.83682%0.823SS**  trans-85.4141.5-169.6-167.30000110.9
218A35.4Very low40.2Very low85 Ų85133.9 Ų133.970%0.70283%0.825SS**  trans178.9124.8139.900000115
219R39.3Very low40.8Very low235 Ų235133 Ų13389%0.88782%0.824SS**  trans78.794.8132.3-66.9179.6167.8-171.2-4.6120.7
220T41.8Very low41.1Very low130 Ų130132.5 Ų132.580%0.79882%0.822SS**  trans-0.3126.6132.558.60000119.3
221S36.8Very low41.3Very low117 Ų117135 Ų13582%0.81883%0.827SS**  -166.8132.7123.9-71.30000110
222P47.8Very low41.5Very low124 Ų124136.9 Ų136.981%0.80583%0.826SS**  trans-101.7114.8-172.734.9-24.9000111.6
223T44.3Very low42.2Very low133 Ų133141.1 Ų141.182%0.81683%0.83SS**  trans-162.3102.5152.2-19.70000109.4
224N40.5Very low42.3Very low166 Ų166145.1 Ų145.189%0.88883%0.825SS**  trans-16587.5155.8-105.2-71.3000107.6G226N224-G226 PolarHBondContact O-N 3.18Å
225L41.6Very low42.6Very low176 Ų176151 Ų15192%0.92183%0.831SS**  trans-77.176.3160.9-86.9149.9000107.3L227L225-L227 PolarHBondContact O-N 3.49Å
226G36.4Very low42.1Very low62 Ų62153.5 Ų153.564%0.63984%0.835SS**  trans-74.4107.1162.500000108.4N224 N228N224-G226 PolarHBondContact O-N 3.18Å; G226-N228 VanDerWaalsContact C-N 3.31Å; G226-N228 PolarHBondContact O-N 3.04Å
227L46.3Very low41.7Very low166 Ų166148 Ų14887%0.86983%0.829SS**  trans-66.592167.1-67.6171.3000108.2L225L225-L227 PolarHBondContact O-N 3.49Å
228N41.6Very low41.7Very low138 Ų138149.8 Ų149.874%0.73883%0.831SS**  trans-96.492.9171.7-166-19.9000109.1G226 N230G226-N228 VanDerWaalsContact C-N 3.31Å; G226-N228 PolarHBondContact O-N 3.04Å; N228-N230 PolarHBondContact O-N 3.33Å; N228-N230 PolarHBondContact OD1-N 3.27Å
229V52.3Low41.8Very low126 Ų126150.7 Ų150.776%0.76483%0.832SS**  trans-80.583.9165-75.80000108.1
230N45.3Very low41.8Very low144 Ų144146 Ų14677%0.7783%0.83SS**  trans174.684.9155.2-88.5-36.2000111.8N228N228-N230 PolarHBondContact O-N 3.33Å; N228-N230 PolarHBondContact OD1-N 3.27Å
231S38.7Very low41.5Very low126 Ų126144.1 Ų144.188%0.88182%0.822SS**  trans-175.687.9146.5-930000110.5
232L43.1Very low41.8Very low170 Ų170147.3 Ų147.389%0.8983%0.827SS**  trans-131.679.4162.6-160.778.4000108.7
233L48.8Very low41.4Very low169 Ų169149.6 Ų149.689%0.88583%0.826SS**  trans-159.9123.5159.4-95.6131.7000109.4
234K41.9Very low40.9Very low198 Ų198148.7 Ų148.786%0.86183%0.825SS**  trans91.491.7172.1-56.8173.9179.11760116
235Q41.4Very low40.7Very low204 Ų204147 Ų14795%0.95382%0.815SS**  trans-139.8124.2131.1-116.7172.5-29.400110.6
236K35.5Very low40.5Very low209 Ų209148.4 Ų148.491%0.90981%0.81SS**  trans-79.3158.4179.8-81.2179.5170.9-178.30110.9
237A36.9Very low40.4Very low93 Ų93149.4 Ų149.477%0.76982%0.82SS**  trans-39.8144.7174.400000117
238I40.3Very low39.9Very low175 Ų175150.5 Ų150.590%0.89783%0.826SS**  trans-135129.8140-59-178.7000107.9
239S36.9Very low39.5Very low103 Ų103147.2 Ų147.272%0.7282%0.824SS**  trans-102140.9-179.6172.30000109.8
240T39.9Very low38.7Very low136 Ų136149.9 Ų149.983%0.83483%0.833SS**  trans-165.5106.1147.138.20000107.5
241S35Very low38.2Very low91 Ų91146.4 Ų146.464%0.63683%0.831SS**  69.7108.485.6165.20000115.1
242M42.6Very low37.9Very low185 Ų185146.6 Ų146.691%0.91183%0.827SS**  trans-159137.7131.1-87.9-54.2-96.800110.2
243H41.1Very low37.5Very low171 Ų171146.4 Ų146.479%0.79282%0.821SS**  trans-89.1154.7-169.9-72.9-92.5000115.3
244S33.6Very low36.8Very low114 Ų114146.6 Ų146.680%0.79782%0.818SS**  trans174.9111.5131.3-73.60000107.6
245L36.2Very low36.5Very low130 Ų130145.1 Ų145.168%0.68181%0.814SS**  57.911263-151.265000109.1
246Y37.2Very low36.2Very low207 Ų207142.9 Ų142.981%0.81280%0.804SS**  cis-154.6153.438.3-50.8-105.1000107.1
247G33.1Very low36.2Very low82 Ų82140 Ų14085%0.84579%0.793SS**  146.9139.977.500000110.9
248L37.1Very low36.1Very low190 Ų190143.4 Ų143.4100%0.99579%0.793SS**  trans-88.9145.7-174.8-15499.9000110.3
249G32.3Very low35.9Very low69 Ų69144.6 Ų144.671%0.71179%0.792SS**  trans170.110816700000118
250L35.7Very low36.4Very low182 Ų182144.9 Ų144.995%0.95379%0.791SS**  trans-5137.9155.6-72.3145.7000119.8
251G35.8Very low36.1Very low70 Ų70144.5 Ų144.572%0.72279%0.794SS**  trans-85.2155.3172.600000114.9
252V31.9Very low36.3Very low131 Ų131144.8 Ų144.879%0.79480%0.802SS**  trans-157.4148.9151.6-179.30000107.9
253Q34.7Very low36.1Very low165 Ų165144.4 Ų144.477%0.77180%0.803SS**  trans-11.9145.6165.1-60.9166.2-40.800118.7
254Q34.6Very low35.8Very low174 Ų174141.5 Ų141.581%0.81380%0.802SS**  160.6167.383-141.2168.226.600111.6
255Q35.7Very low36.4Very low166 Ų166141.5 Ų141.578%0.77680%0.799SS**  trans-71.7162.3-169.8-75.7168.3-19.800117
256Q34.2Very low36.5Very low158 Ų158142.8 Ų142.874%0.73881%0.807SS**  trans93125.1138.6-94.5-179.821.700121.5
257H36.1Very low36.8Very low148 Ų148137.3 Ų137.369%0.68580%0.804SS**  108.7125.6129.1-101.4112.4000121.3
258Q34.7Very low37.1Very low165 Ų165143 Ų14377%0.77181%0.805SS**  trans92.2101.1144.6-60.8-17425.800122.7
259K35.1Very low37.2Very low200 Ų200142.4 Ų142.487%0.8780%0.797SS**  68.4163.6116.1-102.7-169.6-175178.90120.6
260P47.9Very low37.4Very low108 Ų108148.1 Ų148.170%0.70180%0.803SS**  -123.1166.6-114.240.9-24.9000115.5
261S33.5Very low37.6Very low128 Ų128145.8 Ų145.890%0.89580%0.796SS**  trans179.6145160.1-78.20000107.4
262A39.3Very low38Very low98 Ų98150.7 Ų150.781%0.8180%0.798SS**  cis-155.8151.6-3.500000107.5
263L38.1Very low38.9Very low176 Ų176150 Ų15092%0.92180%0.797SS**  trans-65.3145.5175.2-80.5146.5000112.5
264S36Very low38.9Very low111 Ų111148.2 Ų148.278%0.77680%0.802SS**  trans-101.8143.7152-158.60000108.7
265P45.7Very low39.2Very low114 Ų114148.3 Ų148.374%0.7481%0.807SS**  trans-106.4105-160.235.1-22.7000112
266N38.5Very low39.4Very low157 Ų157149.8 Ų149.884%0.8481%0.814SS**  trans-176.198.9144.7-135.4-30.9000112.1
267A42.2Very low39.4Very low91 Ų91145.9 Ų145.975%0.75282%0.816SS**  trans-163.8115.6147.100000107.8E269A267-E269 PolarHBondContact O-N 3.49Å
268K39.3Very low39.4Very low202 Ų202148.4 Ų148.488%0.87883%0.828SS**  trans-83106.2169.3-72.8176.1176.1-179.60107.4
269E39.7Very low39.3Very low177 Ų177144.2 Ų144.283%0.82783%0.829SS**  trans-110.4128.3164.7-78.4-173.6162.400110A267A267-E269 PolarHBondContact O-N 3.49Å
270F37Very low39.5Very low189 Ų189140.1 Ų140.183%0.82983%0.826SS**  trans-73.6129174.2-95.4-105.8000109.7
271V39.5Very low39Very low134 Ų134144.4 Ų144.481%0.81284%0.836SS**  trans-123.1125.2168.2177.40000108.5
272F44.1Very low39Very low172 Ų172144 Ų14475%0.75483%0.833SS**PPolyproline II helixtrans-89.5148.9167.6-77.4-86000110.4
273P50.9Low38.9Very low118 Ų118144.1 Ų144.177%0.76683%0.834SS**PPolyproline II helixtrans-82.7135.4-175.326.6-21.1000112.3
274S33.9Very low38.6Very low126 Ų126143.2 Ų143.288%0.88183%0.83SS**PPolyproline II helixtrans-83.8127.7162.9-690000109.8
275L41.9Very low38.5Very low177 Ų177147 Ų14793%0.92783%0.833SS**PPolyproline II helixtrans-94.8133.4170.2-91.4162.5000110
276Q38.8Very low38.9Very low197 Ų197147.1 Ų147.192%0.92183%0.833SS**PPolyproline II helixtrans-98.3134.8175.3-172.2169.2-2.400108.7
277G35.6Very low38.5Very low75 Ų75143.9 Ų143.977%0.77383%0.828SS**  trans-160.3120177.200000112.5
278Q36.4Very low38.1Very low202 Ų202146.6 Ų146.694%0.94483%0.83SS**  trans-64.5164.6-178.2-65.8167.5-50.200114.5
279G32.4Very low38.1Very low77 Ų77142.4 Ų142.479%0.79483%0.826SS**  120.7115.5127.100000117.1
280S37.9Very low38.6Very low114 Ų114139.2 Ų139.280%0.79782%0.821SS**  trans-58.4147.8175.3-34.60000114.9
281Q37.6Very low38.3Very low197 Ų197138.9 Ų138.992%0.92183%0.827SS**  178.2155.7122-96.8176.882.500113.5
282S34.8Very low38Very low119 Ų119141.4 Ų141.483%0.83283%0.83SS**  trans-69.2152.6-164.9-38.30000116.9
283A35.9Very low37.5Very low101 Ų101144 Ų14484%0.83584%0.836SS**  trans-160.4156.3148.900000112.1
284L33.4Very low36.6Very low157 Ų157143.6 Ų143.682%0.82284%0.836SS**  trans-78.7152.8-153.8-76.264.2000117.8
285F32.3Very low36.7Very low192 Ų192145.5 Ų145.584%0.84284%0.837SS**  trans-7.8177.4148.1-61.3-74.4000122.1
286P53.8Low36.5Very low116 Ų116140.8 Ų140.875%0.75382%0.823SS**  cis-135.4176-22.626.9-4.4000114.2
287A31.8Very low36.3Very low89 Ų89141.1 Ų141.174%0.73682%0.822SS**  162.5129.8126.900000115.3
288D33.3Very low36.3Very low147 Ų147145.4 Ų145.479%0.78683%0.827SS**  trans56104.6140.5-61.1-32.6000124.3
289S39.7Very low36.6Very low114 Ų114141.8 Ų141.880%0.79782%0.818SS**  67.6149.2120.4-57.90000122.8
290P49.1Very low36.8Very low111 Ų111146.4 Ų146.472%0.72182%0.817SS**  trans-115.7155.2-150.138.7-25.4000114
291L31.7Very low36.9Very low181 Ų181146.1 Ų146.195%0.94882%0.822SS**  trans-154.1115.1147.6-78.8-171000110.5
292Q32.9Very low36.9Very low188 Ų188139.4 Ų139.488%0.87980%0.8SS**  trans-115.2111.4175.6-156.9167.6-0.900107.6S294Q292-S294 PolarHBondContact O-N 3.47Å
293Y34.4Very low37.2Very low226 Ų226145.1 Ų145.189%0.88681%0.805SS**  trans-72.5120.2176-120.1-97.6000109.3
294S31.4Very low37.1Very low109 Ų109143.9 Ų143.976%0.76280%0.802SS**  trans-79.8130.7172-66.60000109.7Q292Q292-S294 PolarHBondContact O-N 3.47Å
295N36Very low37.1Very low167 Ų167140.2 Ų140.289%0.89380%0.802SS**  trans-94.7112.3159.8-82.8-51.6000108.2
296A37.3Very low37.6Very low78 Ų78139.6 Ų139.665%0.64581%0.807SS**  trans-84.3133.9165.700000108.9
297F35.4Very low36.9Very low203 Ų203141.2 Ų141.289%0.8981%0.809SS**  176.184.3130-88.3-64.1000107.2
298D35.5Very low37Very low165 Ų165142.6 Ų142.688%0.88280%0.804SS**  trans-104.3112.7168.7-151.4-29.1000106.3
299V42.7Very low37.4Very low126 Ų126144.6 Ų144.676%0.76481%0.805SS**  trans-127.999.5178.1171.80000108.5
300F35.3Very low37.2Very low174 Ų174144.6 Ų144.676%0.76381%0.805SS**  trans69.677.7138.8-134.9-103000118.3A302F300-A302 HydrophobicContact CD1-CB 3.9Å; F300-A302 HydrophobicContact CE1-CB 3.46Å; F300-A302 VanDerWaalsContact CE1-CB 3.46Å; F300-A302 HydrophobicContact CZ-CB 3.95Å
301A39.7Very low37Very low109 Ų109146.8 Ų146.890%0.90181%0.81SS**  trans-79.1107145.300000109.6
302A38.5Very low37.5Very low55 Ų55147.2 Ų147.246%0.45581%0.81SS.*  trans-152.398.116200000109.3F300F300-A302 HydrophobicContact CD1-CB 3.9Å; F300-A302 HydrophobicContact CE1-CB 3.46Å; F300-A302 VanDerWaalsContact CE1-CB 3.46Å; F300-A302 HydrophobicContact CZ-CB 3.95Å
303Y42Very low37.7Very low239 Ų239145.2 Ų145.294%0.93781%0.805SS**  trans-169.1123.3133.9-107.6-79.1000107.6
304G33.2Very low37.7Very low76 Ų76137.1 Ų137.178%0.78479%0.791SS**  trans-63.6162.9178.600000112.7
305G34.2Very low38.2Very low79 Ų79139.8 Ų139.881%0.81480%0.795SS**  cis100.365.229.100000110.5
306L41.1Very low38.1Very low180 Ų180137 Ų13794%0.94279%0.789SS**  trans-137.8116.9165.9-91167.5000110
307N39.2Very low38.3Very low150 Ų150142.4 Ų142.480%0.80280%0.798SS**  trans-80.6138163.3-101.4-22.4000109
308D34.8Very low38.4Very low118 Ų118137.9 Ų137.963%0.63179%0.792SS**  172.7125.1110.2-100.8-55.8000110.7
309K41.1Very low38.7Very low188 Ų188138.3 Ų138.382%0.81779%0.793SS**  trans36.8138.8135.2-58.9173.8-170.4122.50120.8
310S35.7Very low38.6Very low114 Ų114135.1 Ų135.180%0.79779%0.786SS**  trans103.391.3156178.80000117.2
311L44.3Very low38.9Very low157 Ų157134.8 Ų134.882%0.82279%0.792SS**  -173.881.7124.9-118.6150.1000110.1D313L311-D313 HydrophobicContact CD2-CB 4.38Å
312M42.9Very low39Very low190 Ų190137.6 Ų137.694%0.93679%0.789SS**  trans-95.5102.8156.1177.270.6171.200105.2
313D36.1Very low39.1Very low146 Ų146144 Ų14478%0.78181%0.809SS**  trans-155.1129.2160.8-139.3-10.7000113.1L311L311-D313 HydrophobicContact CD2-CB 4.38Å
314G36.2Very low39Very low57 Ų57142.4 Ų142.459%0.58880%0.803SS**  trans68.688.9143.600000120.3
315L40.2Very low39.7Very low164 Ų164143.7 Ų143.786%0.85980%0.8SS**  trans-141.574.9134.4-72.9-176000110F317L315-F317 WeakPolarHBondContact O-CD1 3.39Å; L315-F317 PolarHBondContact O-N 2.97Å
316S34.9Very low40.2Very low108 Ų108147.6 Ų147.676%0.75580%0.802SS**  trans-75.1105.1163176.30000108.8S318S316-S318 PolarHBondContact O-N 3.47Å
317F41.6Very low40.5Very low192 Ų192147 Ų14784%0.84279%0.794SS**  trans-82.696.316628.3-89.2000108.5L315 L319L315-F317 WeakPolarHBondContact O-CD1 3.39Å; L315-F317 PolarHBondContact O-N 2.97Å; F317-L319 PolarHBondContact O-N 3.28Å; F317-L319 VanDerWaalsContact O-N 3.14Å
318S36.9Very low40.8Very low109 Ų109148.5 Ų148.576%0.76280%0.797SS**  trans-66.6104.3167.7-65.80000109.3S316 G320S316-S318 PolarHBondContact O-N 3.47Å; S318-G320 VanDerWaalsContact C-N 3.28Å; S318-G320 PolarHBondContact O-N 3.27Å
319L42.9Very low41.4Very low174 Ų174152.6 Ų152.691%0.91181%0.809SS**  trans-74.985.7167.9-16868.7000108.2F317 N321F317-L319 PolarHBondContact O-N 3.28Å; F317-L319 VanDerWaalsContact O-N 3.14Å; L319-N321 PolarHBondContact O-N 3.07Å
320G39Very low42.1Very low59 Ų59152 Ų15261%0.60881%0.809SS**  trans-64.6127.7168.300000110.2S318 M322S318-G320 VanDerWaalsContact C-N 3.28Å; S318-G320 PolarHBondContact O-N 3.27Å; G320-M322 PolarHBondContact O-N 2.98Å
321N41.6Very low43.2Very low166 Ų166152.4 Ų152.489%0.88881%0.809SS**  trans-52102166-9620.5000110.1L319 Q323L319-N321 PolarHBondContact O-N 3.07Å; N321-Q323 PolarHBondContact O-N 3Å
322M41.9Very low43.8Very low168 Ų168151.6 Ų151.683%0.82881%0.811SS**  trans-79.797.6161.3-80.1-147.7158.600109G320 Y324G320-M322 PolarHBondContact O-N 2.98Å; M322-Y324 PolarHBondContact O-N 3.19Å
323Q41.3Very low44.2Very low190 Ų190151.1 Ų151.189%0.88881%0.808SS**  trans-75.6102.5172.9-155.2173.410.700108.2N321 S325N321-Q323 PolarHBondContact O-N 3Å; Q323-S325 PolarHBondContact O-N 3.28Å
324Y40.8Very low44.9Very low206 Ų206149 Ų14981%0.80881%0.811SS**  trans-67.5127.1174-86.3-90.9000110.5M322M322-Y324 PolarHBondContact O-N 3.19Å
325S46.8Very low45.7Very low102 Ų102157.8 Ų157.871%0.71385%0.845SS**  trans-61.3128.9172.5176.20000110.9Q323 Q327Q323-S325 PolarHBondContact O-N 3.28Å; S325-Q327 PolarHBondContact O-N 3.2Å; S325-Q327 VanDerWaalsContact O-N 3.12Å
326N44.1Very low46Very low162 Ų162157.5 Ų157.587%0.86684%0.844SS**  trans-70.697.1170.1-96.9-97.3000109.2
327Q48.3Very low46.6Very low166 Ų166160.1 Ų160.178%0.77685%0.849SS**PPolyproline II helixtrans-94.8120161.6-80.7-142.536.100110.4S325S325-Q327 PolarHBondContact O-N 3.2Å; S325-Q327 VanDerWaalsContact O-N 3.12Å
328Q45.2Very low46.8Very low183 Ų183158.3 Ų158.386%0.85585%0.849SS**PPolyproline II helixtrans-74.2120.5170.8-74.5172.5-13.600109.5
329F48.2Very low47.4Very low204 Ų204161.2 Ų161.290%0.89585%0.854SS**PPolyproline II helixtrans-76.7124.7169.5-88.8-94.7000110.2
330Q56.1Low47.7Very low174 Ų174160.4 Ų160.481%0.81385%0.85SS**PPolyproline II helixtrans-89.4138.7165.5-67.8-138.6-14.200110.4
331P58.8Low48.3Very low124 Ų124167.2 Ų167.281%0.80587%0.867SS**PPolyproline II helixtrans-77.1126.8176.429.7-31.3000111.1
332V55.8Low48.8Very low140 Ų140167.3 Ų167.385%0.84887%0.865SS**PPolyproline II helixtrans-79.7123.2172.8-178.60000108.7
333M50.9Low49.3Very low180 Ų180167.2 Ų167.289%0.88787%0.868SS**PPolyproline II helixtrans-75.5127.9169.9-67.7-168.7-69.100109.6
334A51.1Low50Low101 Ų101165.3 Ų165.384%0.83587%0.866SS**PPolyproline II helixtrans-78.1128.6168.800000109.4
335N53.5Low50.8Low242 Ų242161.6 Ų161.6100%1.29487%0.872SS**  trans-86.90159.6-106.3-12.5000108.9

Retrieved 335 of 335 residues in 571.2 ms (Link to these results)

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