A0A096NRU5_PAPAN Loading...

Transducer of ERBB2, 2

AlphaFold DB (G7PFN2), UniProt , Accession A0A096NRU5, Species PAPAN (Papio anubis, Olive baboon), Gene TOB2, 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 high45 Ų4548.9 Ų48.922%0.22224%0.242CC..  0-59.90-165.3172.575.900114.3L3 E4 I5 Y40 W44M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.12Å; M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE1 3.43Å; M1-E4 PolarHBondContact N-OE2 3.35Å; M1-E4 PolarHBondContact O-N 3.44Å; M1-I5 HydrophobicContact CG-CD1 3.86Å; M1-I5 HydrophobicContact CG-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-Y40 HydrophobicContact SD-CD2 4.42Å; M1-W44 HydrophobicContact CB-CD2 3.74Å; M1-W44 VanDerWaalsContact CB-CE2 3.47Å; M1-W44 HydrophobicContact CB-CE3 4.19Å; M1-W44 HydrophobicContact CB-CG 4.2Å; M1-W44 HydrophobicContact CB-CH2 4.18Å; M1-W44 HydrophobicContact CB-CZ2 3.7Å; M1-W44 HydrophobicContact CB-CZ3 4.4Å; M1-W44 HydrophobicContact CG-CD2 3.71Å; M1-W44 HydrophobicContact CG-CE3 3.68Å; M1-W44 HydrophobicContact CG-CG 4.32Å; M1-W44 HydrophobicContact CG-CH2 4.12Å; M1-W44 HydrophobicContact CG-CZ2 4.12Å; M1-W44 HydrophobicContact CG-CZ3 3.9Å; M1-W44 VanDerWaalsContact N-CZ2 3.33Å; M1-W44 HydrophobicContact SD-CB 4.18Å; M1-W44 HydrophobicContact SD-CD2 3.93Å; M1-W44 HydrophobicContact SD-CE3 3.94Å; M1-W44 HydrophobicContact SD-CG 4.04Å
2Q97.6Very high98.3Very high89 Ų8944.9 Ų44.942%0.41622%0.222SC..Hα-helixtrans-62.8-39.6-170.9-66.4-72.1-23.300113K6Q2-K6 WeakPolarHBondContact O-CG 3.23Å; Q2-K6 PolarHBondContact O-N 3.33Å
3L98.1Very high98.3Very high94 Ų9442.8 Ų42.849%0.49221%0.212SC..Hα-helixtrans-66.6-46.4179.3174.860.6000110.9M1 I5 K6 V7 Y113M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.12Å; L3-I5 PolarHBondContact O-N 3.37Å; L3-K6 WeakPolarHBondContact O-CA 3.38Å; L3-K6 WeakPolarHBondContact O-CB 3.17Å; L3-K6 PolarHBondContact O-N 3.39Å; L3-V7 WeakPolarHBondContact O-CG2 3.29Å; L3-V7 PolarHBondContact O-N 3.47Å; L3-Y113 HydrophobicContact CD2-CE1 4.49Å; L3-Y113 HydrophobicContact CD2-CE2 4.13Å; L3-Y113 WeakPolarHBondContact CD2-OH 3.14Å
4E98.6Very high98.3Very high15 Ų1543.9 Ų43.97%0.0723%0.226CC..Hα-helixtrans-61.5-43.7-179.3-59.393.6132.200110.7M1 K6 V7 A8 W44 I94 V99 Y113M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE1 3.43Å; M1-E4 PolarHBondContact N-OE2 3.35Å; M1-E4 PolarHBondContact O-N 3.44Å; E4-K6 VanDerWaalsContact C-N 3.34Å; E4-K6 PolarHBondContact O-N 3.2Å; E4-V7 PolarHBondContact O-N 3.37Å; E4-A8 PolarHBondContact O-N 3.38Å; E4-W44 HydrophobicContact CB-CH2 4.22Å; E4-W44 HydrophobicContact CG-CH2 4.4Å; E4-W44 WeakPolarHBondContact OE1-CZ2 3.38Å; E4-I94 HydrophobicContact CB-CG2 3.85Å; E4-V99 HydrophobicContact CB-CG2 3.56Å; E4-V99 HydrophobicContact CG-CG2 4.13Å; E4-V99 WeakPolarHBondContact O-CG2 3.3Å; E4-Y113 HydrophobicContact CG-CD1 4.08Å; E4-Y113 HydrophobicContact CG-CE1 3.89Å
5I98.8Very high98.3Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-57.7-46.7171.7-70.5172.6000110.6M1 L3 V7 A8 L9 E33 L36 K37 Y40 I94M1-I5 HydrophobicContact CG-CD1 3.86Å; M1-I5 HydrophobicContact CG-CG1 4.46Å; M1-I5 WeakPolarHBondContact O-CG1 3.41Å; M1-I5 PolarHBondContact O-N 3.32Å; L3-I5 PolarHBondContact O-N 3.37Å; I5-V7 PolarHBondContact O-N 3.29Å; I5-A8 PolarHBondContact O-N 3.39Å; I5-L9 HydrophobicContact CG2-CD1 3.66Å; I5-L9 HydrophobicContact CG2-CG 4.15Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 WeakPolarHBondContact O-CG 3.46Å; I5-L9 PolarHBondContact O-N 3.41Å; I5-E33 HydrophobicContact CG2-CG 4.25Å; I5-L36 HydrophobicContact CD1-CB 4.24Å; I5-L36 HydrophobicContact CG2-CB 4.4Å; I5-L36 HydrophobicContact CG2-CD1 4.23Å; I5-K37 HydrophobicContact CD1-CG 3.85Å; I5-Y40 HydrophobicContact CD1-CD2 4.03Å; I5-Y40 HydrophobicContact CD1-CE2 4.33Å; I5-Y40 HydrophobicContact CG1-CD2 4.29Å; I5-Y40 HydrophobicContact CG1-CE2 4.13Å; I5-I94 HydrophobicContact CG1-CG2 4.26Å
6K98.6Very high98.3Very high121 Ų12142.7 Ų42.753%0.52621%0.214SC..Hα-helixtrans-63.8-38.8179.7-75.4-174.6176.9-1740113.1Q2 L3 E4 L9 N10Q2-K6 WeakPolarHBondContact O-CG 3.23Å; Q2-K6 PolarHBondContact O-N 3.33Å; L3-K6 WeakPolarHBondContact O-CA 3.38Å; L3-K6 WeakPolarHBondContact O-CB 3.17Å; L3-K6 PolarHBondContact O-N 3.39Å; E4-K6 VanDerWaalsContact C-N 3.34Å; E4-K6 PolarHBondContact O-N 3.2Å; K6-L9 PolarHBondContact O-N 3.38Å; K6-N10 WeakPolarHBondContact O-CB 3.39Å; K6-N10 PolarHBondContact O-N 3.17Å
7V98.8Very high98.2Very high35 Ų3543.8 Ų43.821%0.21222%0.216CC..Hα-helixtrans-60.6-50175.1171.80000110.2L3 E4 I5 L9 N10 F11 V99 L112 Y113L3-V7 WeakPolarHBondContact O-CG2 3.29Å; L3-V7 PolarHBondContact O-N 3.47Å; E4-V7 PolarHBondContact O-N 3.37Å; I5-V7 PolarHBondContact O-N 3.29Å; V7-L9 PolarHBondContact O-N 3.48Å; V7-N10 PolarHBondContact O-N 2.89Å; V7-F11 PolarHBondContact O-N 2.94Å; V7-F11 VanDerWaalsContact O-N 3.07Å; V7-V99 HydrophobicContact CB-CG2 4.36Å; V7-V99 HydrophobicContact CG1-CB 4.29Å; V7-V99 HydrophobicContact CG1-CG1 4.36Å; V7-V99 HydrophobicContact CG1-CG2 4.44Å; V7-L112 HydrophobicContact CG1-CB 3.86Å; V7-Y113 HydrophobicContact CG2-CG 4.37Å
8A98.8Very high98Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-61.4-43.7178.900000112.2E4 I5 F11 I12 V92 I94 V99E4-A8 PolarHBondContact O-N 3.38Å; I5-A8 PolarHBondContact O-N 3.39Å; A8-F11 WeakPolarHBondContact O-CB 3.28Å; A8-F11 PolarHBondContact O-N 3.29Å; A8-I12 WeakPolarHBondContact O-CG1 3.44Å; A8-I12 PolarHBondContact O-N 3.46Å; A8-V92 HydrophobicContact CB-CG1 4.05Å; A8-I94 HydrophobicContact CB-CD1 3.33Å; A8-I94 HydrophobicContact CB-CG1 3.78Å; A8-V99 HydrophobicContact CB-CG1 3.91Å
9L98.6Very high98Very high9 Ų955.3 Ų55.35%0.04727%0.272CS..Hα-helixtrans-60.9-49.3176.8-72.8169.9000111.5I5 K6 V7 F11 I12 I13 L32 E33 L36I5-L9 HydrophobicContact CG2-CD1 3.66Å; I5-L9 HydrophobicContact CG2-CG 4.15Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 WeakPolarHBondContact O-CG 3.46Å; I5-L9 PolarHBondContact O-N 3.41Å; K6-L9 PolarHBondContact O-N 3.38Å; V7-L9 PolarHBondContact O-N 3.48Å; L9-F11 PolarHBondContact O-N 2.94Å; L9-I12 PolarHBondContact O-N 3.33Å; L9-I12 VanDerWaalsContact O-N 3.13Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 WeakPolarHBondContact O-CG2 3.34Å; L9-I13 PolarHBondContact O-N 2.78Å; L9-L32 HydrophobicContact CD2-CB 3.76Å; L9-L32 HydrophobicContact CD2-CD2 3.57Å; L9-L32 HydrophobicContact CD2-CG 3.58Å; L9-E33 HydrophobicContact CD1-CB 3.43Å; L9-E33 VanDerWaalsContact CD1-CB 3.43Å; L9-E33 HydrophobicContact CD1-CG 3.88Å; L9-L36 HydrophobicContact CD2-CD1 4.29Å
10N98.4Very high98Very high106 Ų10653.6 Ų53.657%0.56726%0.264SS*.Hα-helixtrans-57.5-39.6179.3-175.157.9000111.3K6 V7 S14K6-N10 WeakPolarHBondContact O-CB 3.39Å; K6-N10 PolarHBondContact O-N 3.17Å; V7-N10 PolarHBondContact O-N 2.89Å; N10-S14 VanDerWaalsContact O-CB 3.29Å; N10-S14 WeakPolarHBondContact O-CB 3.26Å; N10-S14 PolarHBondContact O-N 3.02Å; N10-S14 VanDerWaalsContact O-N 3.15Å
11F98.8Very high98Very high24 Ų2455 Ų5511%0.10528%0.277CS..Hα-helixtrans-63-52173.7174.1-106.3000112.3V7 A8 L9 S14 Y15 L90 V92 Y101 L112V7-F11 PolarHBondContact O-N 2.94Å; V7-F11 VanDerWaalsContact O-N 3.07Å; A8-F11 WeakPolarHBondContact O-CB 3.28Å; A8-F11 PolarHBondContact O-N 3.29Å; L9-F11 PolarHBondContact O-N 2.94Å; F11-S14 WeakPolarHBondContact O-CB 3.29Å; F11-S14 PolarHBondContact O-N 2.99Å; F11-S14 PolarHBondContact O-OG 3.41Å; F11-Y15 HydrophobicContact CD1-CE2 4.45Å; F11-Y15 HydrophobicContact CD2-CE2 4.26Å; F11-Y15 HydrophobicContact CE1-CE2 4Å; F11-Y15 AromaticContact CE2-CE2 3.8Å; F11-Y15 HydrophobicContact CE2-CE2 3.8Å; F11-Y15 WeakPolarHBondContact CE2-OH 3.48Å; F11-Y15 AromaticContact CZ-CE2 3.65Å; F11-Y15 HydrophobicContact CZ-CE2 3.65Å; F11-Y15 AromaticContact CZ-CZ 4Å; F11-Y15 WeakPolarHBondContact CZ-OH 3.36Å; F11-Y15 WeakPolarHBondContact O-CD2 3.39Å; F11-L90 HydrophobicContact CE1-CD1 3.9Å; F11-L90 HydrophobicContact CE1-CD2 4.29Å; F11-L90 HydrophobicContact CZ-CD1 4.37Å; F11-V92 HydrophobicContact CD1-CG2 4.41Å; F11-V92 HydrophobicContact CE1-CG2 4.31Å; F11-Y101 AromaticContact CE1-CD2 3.95Å; F11-Y101 HydrophobicContact CE1-CD2 3.95Å; F11-Y101 HydrophobicContact CE1-CE2 4.49Å; F11-Y101 AromaticContact CE1-CG 3.95Å; F11-Y101 HydrophobicContact CE1-CG 3.95Å; F11-Y101 HydrophobicContact CE2-CD2 4.43Å; F11-Y101 HydrophobicContact CE2-CE1 4.32Å; F11-Y101 HydrophobicContact CE2-CE2 4.2Å; F11-Y101 HydrophobicContact CZ-CD1 4.2Å; F11-Y101 AromaticContact CZ-CD2 3.51Å; F11-Y101 HydrophobicContact CZ-CD2 3.51Å; F11-Y101 HydrophobicContact CZ-CE1 4.26Å; F11-Y101 AromaticContact CZ-CE2 3.61Å; F11-Y101 HydrophobicContact CZ-CE2 3.61Å; F11-Y101 AromaticContact CZ-CG 3.81Å; F11-Y101 HydrophobicContact CZ-CG 3.81Å; F11-Y101 AromaticContact CZ-CZ 3.98Å; F11-L112 HydrophobicContact CB-CD1 3.66Å; F11-L112 HydrophobicContact CD1-CD1 3.65Å; F11-L112 HydrophobicContact CD2-CD1 3.97Å; F11-L112 HydrophobicContact CD2-CD2 3.68Å; F11-L112 HydrophobicContact CD2-CG 4.49Å; F11-L112 HydrophobicContact CE1-CD1 4.27Å; F11-L112 HydrophobicContact CE2-CD2 4.03Å; F11-L112 HydrophobicContact CG-CD1 3.47Å; F11-L112 VanDerWaalsContact CG-CD1 3.47Å; F11-L112 HydrophobicContact CG-CD2 4.08Å; F11-L112 HydrophobicContact CG-CG 4.44Å
12I98.5Very high98Very high1 Ų161.3 Ų61.31%0.00530%0.298CS..Hα-helixtrans-63.4-49.7-178.5-65.2166000111.5A8 L9 S14 Y15 F28 V58 I60 V92A8-I12 WeakPolarHBondContact O-CG1 3.44Å; A8-I12 PolarHBondContact O-N 3.46Å; L9-I12 PolarHBondContact O-N 3.33Å; L9-I12 VanDerWaalsContact O-N 3.13Å; I12-S14 PolarHBondContact O-N 3.41Å; I12-Y15 PolarHBondContact O-N 3.34Å; I12-F28 HydrophobicContact CG2-CE1 4.4Å; I12-V58 HydrophobicContact CD1-CG1 4.44Å; I12-I60 HydrophobicContact CG2-CD1 4.38Å; I12-V92 HydrophobicContact CD1-CG2 4.34Å; I12-V92 HydrophobicContact CG1-CG2 4.39Å
13I97.9Very high98.1Very high17 Ų1767.2 Ų67.29%0.08732%0.317CS..Hα-helixtrans-68.3-21.8-17771.8-170.1000112.5L9 Y15 L16 Y17 F28L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 WeakPolarHBondContact O-CG2 3.34Å; L9-I13 PolarHBondContact O-N 2.78Å; I13-Y15 PolarHBondContact O-N 2.87Å; I13-L16 WeakPolarHBondContact O-CB 3.22Å; I13-L16 PolarHBondContact O-N 3.32Å; I13-Y17 HydrophobicContact CB-CE2 4.47Å; I13-Y17 HydrophobicContact CD1-CE2 4.12Å; I13-Y17 HydrophobicContact CG1-CE2 3.8Å; I13-Y17 WeakPolarHBondContact O-CD2 3.45Å; I13-Y17 PolarHBondContact O-N 3.46Å; I13-Y17 VanDerWaalsContact O-N 3.14Å; I13-F28 HydrophobicContact CG2-CD1 4.15Å; I13-F28 HydrophobicContact CG2-CE1 4.43Å
14S98.3Very high98.1Very high59 Ų5967.9 Ų67.941%0.41331%0.313SS..Hα-helixtrans-59-31.5176.476.30000112.8N10 F11 I12 L16N10-S14 VanDerWaalsContact O-CB 3.29Å; N10-S14 WeakPolarHBondContact O-CB 3.26Å; N10-S14 PolarHBondContact O-N 3.02Å; N10-S14 VanDerWaalsContact O-N 3.15Å; F11-S14 WeakPolarHBondContact O-CB 3.29Å; F11-S14 PolarHBondContact O-N 2.99Å; F11-S14 PolarHBondContact O-OG 3.41Å; I12-S14 PolarHBondContact O-N 3.41Å; S14-L16 VanDerWaalsContact C-N 3.33Å
15Y98.3Very high98.1Very high68 Ų6867.2 Ų67.227%0.26731%0.309SS..Hα-helixtrans-73.2-25.7175.4-67.6-72.2000113.2F11 I12 I13 N85 P87F11-Y15 HydrophobicContact CD1-CE2 4.45Å; F11-Y15 HydrophobicContact CD2-CE2 4.26Å; F11-Y15 HydrophobicContact CE1-CE2 4Å; F11-Y15 AromaticContact CE2-CE2 3.8Å; F11-Y15 HydrophobicContact CE2-CE2 3.8Å; F11-Y15 WeakPolarHBondContact CE2-OH 3.48Å; F11-Y15 AromaticContact CZ-CE2 3.65Å; F11-Y15 HydrophobicContact CZ-CE2 3.65Å; F11-Y15 AromaticContact CZ-CZ 4Å; F11-Y15 WeakPolarHBondContact CZ-OH 3.36Å; F11-Y15 WeakPolarHBondContact O-CD2 3.39Å; I12-Y15 PolarHBondContact O-N 3.34Å; I13-Y15 PolarHBondContact O-N 2.87Å; Y15-N85 WeakPolarHBondContact CB-O 3.41Å; Y15-P87 HydrophobicContact CD1-CG 4.15Å; Y15-P87 HydrophobicContact CE1-CG 3.58Å; Y15-P87 HydrophobicContact CE2-CG 4.07Å
16L98.1Very high98.1Very high0 Ų069.8 Ų69.80%032%0.323CS..Hα-helixtrans-85.4-25.7-178.3-51.5-174.5000111.7I13 S14 K19 L20 A25 F28 V82 N85 V86I13-L16 WeakPolarHBondContact O-CB 3.22Å; I13-L16 PolarHBondContact O-N 3.32Å; S14-L16 VanDerWaalsContact C-N 3.33Å; L16-K19 PolarHBondContact O-N 3.14Å; L16-K19 VanDerWaalsContact O-N 3.16Å; L16-L20 HydrophobicContact CB-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CD1 4.49Å; L16-L20 HydrophobicContact CD2-CD1 3.99Å; L16-L20 HydrophobicContact CG-CD1 4.46Å; L16-L20 PolarHBondContact O-N 3.05Å; L16-A25 HydrophobicContact CB-CB 4.28Å; L16-F28 HydrophobicContact CD1-CD1 3.68Å; L16-F28 HydrophobicContact CD1-CE1 3.77Å; L16-F28 HydrophobicContact CD1-CG 4.36Å; L16-F28 HydrophobicContact CD1-CZ 4.49Å; L16-V82 HydrophobicContact CD1-CG1 4.39Å; L16-V82 HydrophobicContact CD2-CG1 4.25Å; L16-N85 HydrophobicContact CD2-CB 4.01Å; L16-V86 HydrophobicContact CD2-CG1 4.11Å
17Y96.7Very high98.1Very high61 Ų6167.4 Ų67.424%0.23932%0.316CS..THydrogen-bonded Turntrans-62.4140.4176.9-72-44.3000112I13 K19 R22 A25 D26I13-Y17 HydrophobicContact CB-CE2 4.47Å; I13-Y17 HydrophobicContact CD1-CE2 4.12Å; I13-Y17 HydrophobicContact CG1-CE2 3.8Å; I13-Y17 WeakPolarHBondContact O-CD2 3.45Å; I13-Y17 PolarHBondContact O-N 3.46Å; I13-Y17 VanDerWaalsContact O-N 3.14Å; Y17-K19 PolarHBondContact O-N 3.09Å; Y17-K19 VanDerWaalsContact O-N 3.09Å; Y17-R22 HydrophobicContact CD1-CG 4.46Å; Y17-R22 HydrophobicContact CE1-CG 4.29Å; Y17-A25 HydrophobicContact CD1-CB 4.33Å; Y17-A25 HydrophobicContact CE1-CB 4.22Å; Y17-D26 VanDerWaalsContact CE1-OD1 3.3Å; Y17-D26 WeakPolarHBondContact CE1-OD1 3.47Å; Y17-D26 PolarHBondContact OH-OD1 3.06Å
18N95.6Very high98.1Very high163 Ų16365.7 Ų65.787%0.87231%0.306SS*.THydrogen-bonded Turntrans63.73-174.3-45.3-57.3000115.1
19K97.3Very high98.1Very high144 Ų14466.1 Ų66.163%0.62631%0.31SS*.THydrogen-bonded Turntrans-112.4-42175.6-59.6-61.9-174.3172.30112.1L16 Y17 N85L16-K19 PolarHBondContact O-N 3.14Å; L16-K19 VanDerWaalsContact O-N 3.16Å; Y17-K19 PolarHBondContact O-N 3.09Å; Y17-K19 VanDerWaalsContact O-N 3.09Å; K19-N85 HydrophobicContact CB-CB 4.35Å; K19-N85 VanDerWaalsContact CB-OD1 3.22Å; K19-N85 WeakPolarHBondContact CB-OD1 3.27Å; K19-N85 WeakPolarHBondContact CG-OD1 3.43Å
20L97.6Very high98.1Very high21 Ų2171.3 Ų71.311%0.1133%0.334CS..SBendtrans-112.2161.6178.6-57.6-177.3000111.2L16 R22 L77 D81 V82L16-L20 HydrophobicContact CB-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CD1 4.49Å; L16-L20 HydrophobicContact CD2-CD1 3.99Å; L16-L20 HydrophobicContact CG-CD1 4.46Å; L16-L20 PolarHBondContact O-N 3.05Å; L20-R22 PolarHBondContact O-N 2.88Å; L20-R22 VanDerWaalsContact O-N 3.1Å; L20-L77 HydrophobicContact CB-CD2 4.32Å; L20-L77 HydrophobicContact CD1-CD1 3.98Å; L20-L77 HydrophobicContact CD1-CD2 4.15Å; L20-D81 HydrophobicContact CD2-CB 4.05Å; L20-V82 HydrophobicContact CD1-CG2 4.28Å
21P98.1Very high98.1Very high83 Ų8368.8 Ų68.854%0.53932%0.319SS..  trans-56.3119.2176.7-24.433.9000110.9R23 R24 A25P21-R23 VanDerWaalsContact C-N 3.32Å; P21-R23 PolarHBondContact O-N 3.1Å; P21-R24 HydrophobicContact CB-CB 4.22Å; P21-R24 HydrophobicContact CB-CG 3.89Å; P21-R24 HydrophobicContact CG-CG 4.42Å; P21-R24 WeakPolarHBondContact O-CA 3.29Å; P21-R24 WeakPolarHBondContact O-CB 3.22Å; P21-R24 PolarHBondContact O-N 2.99Å; P21-A25 PolarHBondContact O-N 3.1Å
22R97.8Very high98.1Very high177 Ų17767.7 Ų67.767%0.66831%0.314SS*.Hα-helixtrans-51-47.7-171.3-178.2168.6-177.8153.52.4113.7Y17 L20 R24 A25 D26Y17-R22 HydrophobicContact CD1-CG 4.46Å; Y17-R22 HydrophobicContact CE1-CG 4.29Å; L20-R22 PolarHBondContact O-N 2.88Å; L20-R22 VanDerWaalsContact O-N 3.1Å; R22-R24 PolarHBondContact O-N 3.23Å; R22-A25 WeakPolarHBondContact O-CB 3.33Å; R22-A25 PolarHBondContact O-N 2.94Å; R22-A25 VanDerWaalsContact O-N 3.1Å; R22-D26 VanDerWaalsContact O-CG 3.29Å; R22-D26 PolarHBondContact O-N 2.76Å
23R98.4Very high98.1Very high214 Ų21469.7 Ų69.781%0.80832%0.323SS*.Hα-helixtrans-57.5-35.6177.1-70.9-171.8178.6140.5-0.9113.1P21 L27P21-R23 VanDerWaalsContact C-N 3.32Å; P21-R23 PolarHBondContact O-N 3.1Å; R23-L27 VanDerWaalsContact O-CG 3.29Å; R23-L27 WeakPolarHBondContact O-CG 3.49Å; R23-L27 PolarHBondContact O-N 2.91Å; R23-L27 VanDerWaalsContact O-N 3.14Å
24R98.5Very high98.2Very high108 Ų10873.4 Ų73.441%0.40834%0.336SS..Hα-helixtrans-75.9-37178.5-57.8-71.8-107.4-176.2-11.5110.9P21 R22 L27 F28 S75 G76 L77P21-R24 HydrophobicContact CB-CB 4.22Å; P21-R24 HydrophobicContact CB-CG 3.89Å; P21-R24 HydrophobicContact CG-CG 4.42Å; P21-R24 WeakPolarHBondContact O-CA 3.29Å; P21-R24 WeakPolarHBondContact O-CB 3.22Å; P21-R24 PolarHBondContact O-N 2.99Å; R22-R24 PolarHBondContact O-N 3.23Å; R24-L27 PolarHBondContact O-N 3.32Å; R24-F28 WeakPolarHBondContact O-CB 3.28Å; R24-F28 PolarHBondContact O-N 3.02Å; R24-S75 WeakPolarHBondContact CD-O 3.4Å; R24-S75 PolarHBondContact NE-O 3.05Å; R24-S75 PolarHBondContact NH1-O 3.41Å; R24-G76 PolarHBondContact NE-O 2.84Å; R24-G76 PolarHBondContact NH2-O 3.18Å; R24-L77 HydrophobicContact CB-CD1 4.42Å; R24-L77 HydrophobicContact CB-CD2 3.62Å; R24-L77 HydrophobicContact CB-CG 3.99Å; R24-L77 HydrophobicContact CG-CD2 4.42Å
25A98.4Very high98.2Very high0 Ų071.4 Ų71.40%032%0.321CS..Hα-helixtrans-64.4-39.417300000112.2L16 Y17 P21 R22 F28 G29L16-A25 HydrophobicContact CB-CB 4.28Å; Y17-A25 HydrophobicContact CD1-CB 4.33Å; Y17-A25 HydrophobicContact CE1-CB 4.22Å; P21-A25 PolarHBondContact O-N 3.1Å; R22-A25 WeakPolarHBondContact O-CB 3.33Å; R22-A25 PolarHBondContact O-N 2.94Å; R22-A25 VanDerWaalsContact O-N 3.1Å; A25-F28 WeakPolarHBondContact O-CB 3.21Å; A25-F28 PolarHBondContact O-N 3.35Å; A25-G29 PolarHBondContact O-N 2.97Å
26D98.4Very high98.2Very high54 Ų5468.2 Ų68.229%0.28931%0.308SS..Hα-helixtrans-64.5-47.7175.3-63.3-29.9000110.7Y17 R22 F28 G29 E30Y17-D26 VanDerWaalsContact CE1-OD1 3.3Å; Y17-D26 WeakPolarHBondContact CE1-OD1 3.47Å; Y17-D26 PolarHBondContact OH-OD1 3.06Å; R22-D26 VanDerWaalsContact O-CG 3.29Å; R22-D26 PolarHBondContact O-N 2.76Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.5Å; D26-G29 PolarHBondContact O-N 3.3Å; D26-G29 VanDerWaalsContact O-N 3.09Å; D26-E30 PolarHBondContact O-N 3.07Å
27L98.7Very high98.2Very high71 Ų7170.8 Ų70.837%0.37232%0.319SS..Hα-helixtrans-60-36.3173.9-72.9171.4000113R23 R24 G29 E30 E31R23-L27 VanDerWaalsContact O-CG 3.29Å; R23-L27 WeakPolarHBondContact O-CG 3.49Å; R23-L27 PolarHBondContact O-N 2.91Å; R23-L27 VanDerWaalsContact O-N 3.14Å; R24-L27 PolarHBondContact O-N 3.32Å; L27-G29 VanDerWaalsContact C-N 3.35Å; L27-E30 PolarHBondContact O-N 3.36Å; L27-E31 PolarHBondContact O-N 2.95Å
28F98.8Very high98.3Very high0 Ų073.3 Ų73.30%034%0.337CS..Hα-helixtrans-61.5-44.6173.8171.4-92.3000111.2I12 I13 L16 R24 A25 D26 E31 L32 V68 A71 A72 L77 V82I12-F28 HydrophobicContact CG2-CE1 4.4Å; I13-F28 HydrophobicContact CG2-CD1 4.15Å; I13-F28 HydrophobicContact CG2-CE1 4.43Å; L16-F28 HydrophobicContact CD1-CD1 3.68Å; L16-F28 HydrophobicContact CD1-CE1 3.77Å; L16-F28 HydrophobicContact CD1-CG 4.36Å; L16-F28 HydrophobicContact CD1-CZ 4.49Å; R24-F28 WeakPolarHBondContact O-CB 3.28Å; R24-F28 PolarHBondContact O-N 3.02Å; A25-F28 WeakPolarHBondContact O-CB 3.21Å; A25-F28 PolarHBondContact O-N 3.35Å; D26-F28 VanDerWaalsContact C-N 3.29Å; D26-F28 PolarHBondContact O-N 3.5Å; F28-E31 PolarHBondContact O-N 3.23Å; F28-L32 HydrophobicContact CE1-CD2 3.82Å; F28-L32 HydrophobicContact CZ-CD2 3.89Å; F28-L32 VanDerWaalsContact O-CB 3.28Å; F28-L32 WeakPolarHBondContact O-CB 3.34Å; F28-L32 PolarHBondContact O-N 3.4Å; F28-V68 HydrophobicContact CE2-CG1 4.34Å; F28-V68 HydrophobicContact CZ-CG1 4.12Å; F28-A71 HydrophobicContact CD2-CB 3.78Å; F28-A71 HydrophobicContact CE2-CB 3.65Å; F28-A71 HydrophobicContact CZ-CB 4.41Å; F28-A72 HydrophobicContact CD2-CB 4.29Å; F28-A72 HydrophobicContact CE2-CB 4.16Å; F28-L77 HydrophobicContact CB-CD1 3.95Å; F28-L77 HydrophobicContact CD2-CD1 4.43Å; F28-L77 HydrophobicContact CG-CD1 4.33Å; F28-V82 HydrophobicContact CE2-CG1 4.27Å; F28-V82 HydrophobicContact CE2-CG2 4.37Å; F28-V82 HydrophobicContact CZ-CG1 4.08Å
29G98.6Very high98.4Very high8 Ų867.5 Ų67.58%0.08230%0.304CS..Hα-helixtrans-59.1-45.2175.300000112.4A25 D26 L27 L32 E33A25-G29 PolarHBondContact O-N 2.97Å; D26-G29 PolarHBondContact O-N 3.3Å; D26-G29 VanDerWaalsContact O-N 3.09Å; L27-G29 VanDerWaalsContact C-N 3.35Å; G29-L32 PolarHBondContact O-N 2.92Å; G29-E33 VanDerWaalsContact O-CB 3.29Å; G29-E33 WeakPolarHBondContact O-CB 3.29Å; G29-E33 PolarHBondContact O-N 3.02Å
30E98.7Very high98.5Very high119 Ų11960.6 Ų60.656%0.55627%0.274SS*.Hα-helixtrans-62.5-44.9177.5-68.3175.4-173.600112.6D26 L27 E33 R34D26-E30 PolarHBondContact O-N 3.07Å; L27-E30 PolarHBondContact O-N 3.36Å; E30-E33 PolarHBondContact O-N 3.37Å; E30-R34 PolarHBondContact O-N 3.13Å; E30-R34 VanDerWaalsContact O-N 3.11Å
31E98.8Very high98.5Very high53 Ų5366.1 Ų66.125%0.24830%0.299CS..Hα-helixtrans-67.9-42.3178.1-77.7-63.9157.800112.2L27 F28 E33 R34 L35 A71 R74L27-E31 PolarHBondContact O-N 2.95Å; F28-E31 PolarHBondContact O-N 3.23Å; E31-E33 VanDerWaalsContact C-N 3.34Å; E31-R34 PolarHBondContact O-N 3.48Å; E31-R34 IonicContact OE2-CZ 3.47Å; E31-R34 IonicContact OE2-NE 3.3Å; E31-R34 PolarHBondContact OE2-NE 2.89Å; E31-R34 IonicContact OE2-NH2 2.76Å; E31-R34 PolarHBondContact OE2-NH2 3.47Å; E31-L35 WeakPolarHBondContact O-CB 3.43Å; E31-L35 WeakPolarHBondContact O-CG 3.22Å; E31-L35 PolarHBondContact O-N 3.03Å; E31-A71 HydrophobicContact CB-CB 4.17Å; E31-R74 HydrophobicContact CB-CB 4.42Å; E31-R74 HydrophobicContact CG-CB 3.78Å; E31-R74 WeakPolarHBondContact OE2-CD 3.47Å; E31-R74 IonicContact OE2-NH1 3.45Å
32L98.8Very high98.5Very high0 Ų064.9 Ų64.90%030%0.301CS..Hα-helixtrans-64.4-40.9177.2-173.558000110.9L9 F28 G29 R34 L35 L36 V67 V68 A71L9-L32 HydrophobicContact CD2-CB 3.76Å; L9-L32 HydrophobicContact CD2-CD2 3.57Å; L9-L32 HydrophobicContact CD2-CG 3.58Å; F28-L32 HydrophobicContact CE1-CD2 3.82Å; F28-L32 HydrophobicContact CZ-CD2 3.89Å; F28-L32 VanDerWaalsContact O-CB 3.28Å; F28-L32 WeakPolarHBondContact O-CB 3.34Å; F28-L32 PolarHBondContact O-N 3.4Å; G29-L32 PolarHBondContact O-N 2.92Å; L32-R34 PolarHBondContact O-N 3.48Å; L32-L35 PolarHBondContact O-N 3.09Å; L32-L36 HydrophobicContact CD1-CD1 4.26Å; L32-L36 HydrophobicContact CD1-CG 4.13Å; L32-L36 HydrophobicContact CG-CD1 3.99Å; L32-L36 HydrophobicContact CG-CG 4.32Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 3.27Å; L32-V67 HydrophobicContact CD1-CB 4.25Å; L32-V67 HydrophobicContact CD1-CG2 3.78Å; L32-V68 HydrophobicContact CD1-CG2 4.15Å; L32-A71 HydrophobicContact CB-CB 3.85Å; L32-A71 HydrophobicContact CD1-CB 4.25Å
33E98.8Very high98.5Very high43 Ų4360 Ų6020%0.20129%0.286CS..Hα-helixtrans-54.7-51173.3-177.6168.6176.500111.8I5 L9 G29 E30 E31 L35 L36 K37I5-E33 HydrophobicContact CG2-CG 4.25Å; L9-E33 HydrophobicContact CD1-CB 3.43Å; L9-E33 VanDerWaalsContact CD1-CB 3.43Å; L9-E33 HydrophobicContact CD1-CG 3.88Å; G29-E33 VanDerWaalsContact O-CB 3.29Å; G29-E33 WeakPolarHBondContact O-CB 3.29Å; G29-E33 PolarHBondContact O-N 3.02Å; E30-E33 PolarHBondContact O-N 3.37Å; E31-E33 VanDerWaalsContact C-N 3.34Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 2.68Å; E33-L36 PolarHBondContact O-N 3.11Å; E33-K37 HydrophobicContact CG-CD 4.42Å; E33-K37 WeakPolarHBondContact O-CG 3.46Å; E33-K37 PolarHBondContact O-N 3.44Å; E33-K37 VanDerWaalsContact O-N 3.13Å; E33-K37 VanDerWaalsContact OE1-CE 3.28Å; E33-K37 WeakPolarHBondContact OE1-CE 3.21Å; E33-K37 IonicContact OE1-NZ 2.66Å; E33-K37 PolarHBondContact OE1-NZ 3.33Å
34R98.8Very high98.6Very high95 Ų9552 Ų5236%0.35826%0.256SS..Hα-helixtrans-64.4-40.1-179.4-169.3-168.3585623111.7E30 E31 L32 N38E30-R34 PolarHBondContact O-N 3.13Å; E30-R34 VanDerWaalsContact O-N 3.11Å; E31-R34 PolarHBondContact O-N 3.48Å; E31-R34 IonicContact OE2-CZ 3.47Å; E31-R34 IonicContact OE2-NE 3.3Å; E31-R34 PolarHBondContact OE2-NE 2.89Å; E31-R34 IonicContact OE2-NH2 2.76Å; E31-R34 PolarHBondContact OE2-NH2 3.47Å; L32-R34 PolarHBondContact O-N 3.48Å; R34-N38 PolarHBondContact O-N 3.49Å
35L98.8Very high98.5Very high17 Ų1749.9 Ų49.99%0.08925%0.248CC..Hα-helixtrans-68-43179-71170.1000112.1E31 L32 E33 N38 K39 V67 L70 A71E31-L35 WeakPolarHBondContact O-CB 3.43Å; E31-L35 WeakPolarHBondContact O-CG 3.22Å; E31-L35 PolarHBondContact O-N 3.03Å; L32-L35 PolarHBondContact O-N 3.09Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 2.68Å; L35-N38 PolarHBondContact O-N 3.29Å; L35-K39 WeakPolarHBondContact O-CB 3.22Å; L35-K39 PolarHBondContact O-N 3.16Å; L35-V67 HydrophobicContact CB-CB 4.1Å; L35-V67 HydrophobicContact CB-CG1 4.27Å; L35-V67 HydrophobicContact CD1-CB 4.45Å; L35-V67 WeakPolarHBondContact CD1-O 3.49Å; L35-L70 HydrophobicContact CD1-CB 3.95Å; L35-L70 HydrophobicContact CD1-CD2 4.03Å; L35-L70 HydrophobicContact CD1-CG 3.9Å; L35-L70 HydrophobicContact CD2-CD2 3.63Å; L35-L70 HydrophobicContact CD2-CG 4.35Å; L35-A71 HydrophobicContact CD1-CB 4.09Å
36L98.8Very high98.4Very high1 Ų152.2 Ų52.21%0.00526%0.264CS..Hα-helixtrans-64-43.2178.3-71.4173.4000111.8I5 L9 L32 E33 N38 K39 Y40 V58 V67 I94I5-L36 HydrophobicContact CD1-CB 4.24Å; I5-L36 HydrophobicContact CG2-CB 4.4Å; I5-L36 HydrophobicContact CG2-CD1 4.23Å; L9-L36 HydrophobicContact CD2-CD1 4.29Å; L32-L36 HydrophobicContact CD1-CD1 4.26Å; L32-L36 HydrophobicContact CD1-CG 4.13Å; L32-L36 HydrophobicContact CG-CD1 3.99Å; L32-L36 HydrophobicContact CG-CG 4.32Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 3.27Å; E33-L36 PolarHBondContact O-N 3.11Å; L36-N38 VanDerWaalsContact C-N 3.29Å; L36-N38 PolarHBondContact O-N 2.96Å; L36-K39 PolarHBondContact O-N 3.14Å; L36-Y40 HydrophobicContact CD2-CE1 4.1Å; L36-Y40 WeakPolarHBondContact O-CB 3.46Å; L36-Y40 VanDerWaalsContact O-CG 3.23Å; L36-Y40 PolarHBondContact O-N 2.9Å; L36-V58 HydrophobicContact CD2-CG2 3.66Å; L36-V67 HydrophobicContact CD2-CG2 3.86Å; L36-I94 HydrophobicContact CD1-CD1 4.19Å
37K98.6Very high98.4Very high55 Ų5557.2 Ų57.224%0.23929%0.285CS..Hα-helixtrans-55.8-46174.8-71.7173.4-162.7-169.60111.8I5 E33 Y40 E41I5-K37 HydrophobicContact CD1-CG 3.85Å; E33-K37 HydrophobicContact CG-CD 4.42Å; E33-K37 WeakPolarHBondContact O-CG 3.46Å; E33-K37 PolarHBondContact O-N 3.44Å; E33-K37 VanDerWaalsContact O-N 3.13Å; E33-K37 VanDerWaalsContact OE1-CE 3.28Å; E33-K37 WeakPolarHBondContact OE1-CE 3.21Å; E33-K37 IonicContact OE1-NZ 2.66Å; E33-K37 PolarHBondContact OE1-NZ 3.33Å; K37-Y40 PolarHBondContact O-N 2.75Å; K37-E41 PolarHBondContact O-N 3.13Å; K37-E41 VanDerWaalsContact O-N 3.16Å
38N98.6Very high98.3Very high113 Ų11360.8 Ų60.860%0.60430%0.298SS*.Hα-helixtrans-68.5-43.4178.7-166.91.6000111.8R34 L35 L36 Y40 E41R34-N38 PolarHBondContact O-N 3.49Å; L35-N38 PolarHBondContact O-N 3.29Å; L36-N38 VanDerWaalsContact C-N 3.29Å; L36-N38 PolarHBondContact O-N 2.96Å; N38-Y40 PolarHBondContact O-N 2.96Å; N38-E41 WeakPolarHBondContact O-CB 3.44Å; N38-E41 PolarHBondContact O-N 2.93Å
39K98.4Very high98.3Very high41 Ų4162.7 Ų62.718%0.17831%0.31CS..Hα-helixtrans-56.2-41.6175.8-175.4-177.7177-167.20110.6L35 L36 F55 C57 D65 V67L35-K39 WeakPolarHBondContact O-CB 3.22Å; L35-K39 PolarHBondContact O-N 3.16Å; L36-K39 PolarHBondContact O-N 3.14Å; K39-F55 WeakPolarHBondContact CE-O 3.4Å; K39-F55 HydrophobicContact CG-CE1 4Å; K39-F55 HydrophobicContact CG-CZ 3.84Å; K39-F55 PolarHBondContact NZ-O 2.97Å; K39-F55 WeakPolarHBondContact O-CE1 3.39Å; K39-F55 VanDerWaalsContact O-CZ 3.3Å; K39-F55 WeakPolarHBondContact O-CZ 3.4Å; K39-C57 PolarHBondContact NZ-O 3.3Å; K39-D65 IonicContact NZ-OD1 3.46Å; K39-D65 IonicContact NZ-OD2 3.02Å; K39-D65 PolarHBondContact NZ-OD2 2.88Å; K39-V67 HydrophobicContact CB-CG1 4.49Å; K39-V67 HydrophobicContact CD-CG1 3.85Å
40Y98.6Very high98.2Very high0 Ų069 Ų690%034%0.341CS..Hα-helixtrans-86.7-10-173.1-63.4-3000114.2M1 I5 L36 K37 N38 G42 H43 W44 R56 I94M1-Y40 HydrophobicContact SD-CD2 4.42Å; I5-Y40 HydrophobicContact CD1-CD2 4.03Å; I5-Y40 HydrophobicContact CD1-CE2 4.33Å; I5-Y40 HydrophobicContact CG1-CD2 4.29Å; I5-Y40 HydrophobicContact CG1-CE2 4.13Å; L36-Y40 HydrophobicContact CD2-CE1 4.1Å; L36-Y40 WeakPolarHBondContact O-CB 3.46Å; L36-Y40 VanDerWaalsContact O-CG 3.23Å; L36-Y40 PolarHBondContact O-N 2.9Å; K37-Y40 PolarHBondContact O-N 2.75Å; N38-Y40 PolarHBondContact O-N 2.96Å; Y40-G42 PolarHBondContact O-N 3.41Å; Y40-H43 CarbonylContact O-C 3.36Å; Y40-H43 WeakPolarHBondContact O-CA 3.3Å; Y40-H43 PolarHBondContact O-N 3.3Å; Y40-W44 HydrophobicContact CD2-CE3 4.11Å; Y40-W44 HydrophobicContact CD2-CZ3 4.02Å; Y40-W44 HydrophobicContact CE2-CZ3 4.35Å; Y40-W44 PolarHBondContact O-N 2.98Å; Y40-R56 HydrophobicContact CD1-CB 4.04Å; Y40-R56 HydrophobicContact CD1-CG 3.57Å; Y40-R56 HydrophobicContact CD2-CG 4.44Å; Y40-R56 VanDerWaalsContact CE1-CA 3.45Å; Y40-R56 HydrophobicContact CE1-CB 3.5Å; Y40-R56 HydrophobicContact CE1-CG 3.61Å; Y40-R56 WeakPolarHBondContact CE1-O 3.12Å; Y40-R56 HydrophobicContact CE2-CB 4.34Å; Y40-R56 HydrophobicContact CE2-CG 4.46Å; Y40-R56 HydrophobicContact CG-CG 4.02Å; Y40-R56 PolarHBondContact OH-O 3.39Å; Y40-I94 HydrophobicContact CE2-CB 3.9Å; Y40-I94 HydrophobicContact CE2-CD1 4.29Å; Y40-I94 HydrophobicContact CE2-CG2 3.95Å; Y40-I94 WeakPolarHBondContact OH-CD1 3.28Å
41E97.9Very high98.2Very high136 Ų13668.4 Ų68.464%0.63634%0.337SS*.THydrogen-bonded Turntrans-57.1130176.4-165.861.5-144.400110.1K37 N38 H43K37-E41 PolarHBondContact O-N 3.13Å; K37-E41 VanDerWaalsContact O-N 3.16Å; N38-E41 WeakPolarHBondContact O-CB 3.44Å; N38-E41 PolarHBondContact O-N 2.93Å; E41-H43 PolarHBondContact O-N 3.48Å; E41-H43 VanDerWaalsContact O-N 3.14Å; E41-H43 PolarHBondContact O-ND1 3.45Å
42G97.7Very high98.2Very high57 Ų5767.2 Ų67.259%0.58834%0.339SS*.THydrogen-bonded Turntrans69.8-0.6-173.100000115.8Y40 Y45Y40-G42 PolarHBondContact O-N 3.41Å; G42-Y45 PolarHBondContact O-OH 3.23Å; G42-Y45 VanDerWaalsContact O-OH 3.07Å
43H98.4Very high98.1Very high74 Ų7468 Ų6834%0.34335%0.345SS..  trans-122.523.5-178.8-61.180.6000112.4Y40 E41 F55 R56Y40-H43 CarbonylContact O-C 3.36Å; Y40-H43 WeakPolarHBondContact O-CA 3.3Å; Y40-H43 PolarHBondContact O-N 3.3Å; E41-H43 PolarHBondContact O-N 3.48Å; E41-H43 VanDerWaalsContact O-N 3.14Å; E41-H43 PolarHBondContact O-ND1 3.45Å; H43-F55 HydrophobicContact CB-CD1 3.87Å; H43-F55 HydrophobicContact CB-CE1 3.67Å; H43-F55 AromaticContact CD2-CD1 3.94Å; H43-F55 AromaticContact CD2-CE1 3.8Å; H43-F55 AromaticContact CG-CD1 3.93Å; H43-F55 AromaticContact CG-CE1 3.52Å; H43-F55 AromaticContact ND1-CE1 3.93Å; H43-R56 PolarHBondContact O-NH1 3.37Å
44W98.6Very high98.1Very high47 Ų4769 Ų6918%0.17837%0.367CS..  trans-114.1117177.2-166.2-94.6000109.8M1 E4 Y40 I94 D95 P96M1-W44 HydrophobicContact CB-CD2 3.74Å; M1-W44 VanDerWaalsContact CB-CE2 3.47Å; M1-W44 HydrophobicContact CB-CE3 4.19Å; M1-W44 HydrophobicContact CB-CG 4.2Å; M1-W44 HydrophobicContact CB-CH2 4.18Å; M1-W44 HydrophobicContact CB-CZ2 3.7Å; M1-W44 HydrophobicContact CB-CZ3 4.4Å; M1-W44 HydrophobicContact CG-CD2 3.71Å; M1-W44 HydrophobicContact CG-CE3 3.68Å; M1-W44 HydrophobicContact CG-CG 4.32Å; M1-W44 HydrophobicContact CG-CH2 4.12Å; M1-W44 HydrophobicContact CG-CZ2 4.12Å; M1-W44 HydrophobicContact CG-CZ3 3.9Å; M1-W44 VanDerWaalsContact N-CZ2 3.33Å; M1-W44 HydrophobicContact SD-CB 4.18Å; M1-W44 HydrophobicContact SD-CD2 3.93Å; M1-W44 HydrophobicContact SD-CE3 3.94Å; M1-W44 HydrophobicContact SD-CG 4.04Å; E4-W44 HydrophobicContact CB-CH2 4.22Å; E4-W44 HydrophobicContact CG-CH2 4.4Å; E4-W44 WeakPolarHBondContact OE1-CZ2 3.38Å; Y40-W44 HydrophobicContact CD2-CE3 4.11Å; Y40-W44 HydrophobicContact CD2-CZ3 4.02Å; Y40-W44 HydrophobicContact CE2-CZ3 4.35Å; Y40-W44 PolarHBondContact O-N 2.98Å; W44-I94 HydrophobicContact CH2-CG2 4.31Å; W44-I94 HydrophobicContact CZ3-CG2 4.31Å; W44-I94 WeakPolarHBondContact CZ3-O 3.39Å; W44-D95 WeakPolarHBondContact CH2-O 3.39Å; W44-P96 HydrophobicContact CD2-CG 4.05Å; W44-P96 HydrophobicContact CG-CG 4.47Å; W44-P96 HydrophobicContact CH2-CG 4.38Å; W44-P96 VanDerWaalsContact CZ2-CA 3.41Å; W44-P96 HydrophobicContact CZ2-CB 3.99Å; W44-P96 HydrophobicContact CZ2-CG 3.82Å
45Y97.9Very high98.1Very high64 Ų6469 Ų6925%0.25137%0.369SS..  trans-128.484.4-171.8-53.8-83.7000111G42 E47 K48 P49 K51G42-Y45 PolarHBondContact O-OH 3.23Å; G42-Y45 VanDerWaalsContact O-OH 3.07Å; Y45-E47 PolarHBondContact O-N 2.82Å; Y45-K48 CarbonylContact O-C 3.47Å; Y45-K48 PolarHBondContact O-N 3.46Å; Y45-K48 VanDerWaalsContact O-O 3.14Å; Y45-P49 WeakPolarHBondContact O-CA 3.39Å; Y45-K51 HydrophobicContact CD1-CD 4.01Å; Y45-K51 HydrophobicContact CD2-CB 3.97Å; Y45-K51 HydrophobicContact CD2-CD 3.79Å; Y45-K51 HydrophobicContact CD2-CG 3.84Å; Y45-K51 WeakPolarHBondContact CD2-O 3.42Å; Y45-K51 HydrophobicContact CE1-CD 4.1Å; Y45-K51 HydrophobicContact CE2-CD 3.91Å; Y45-K51 HydrophobicContact CE2-CG 4.01Å; Y45-K51 HydrophobicContact CG-CB 4.32Å; Y45-K51 HydrophobicContact CG-CD 3.84Å; Y45-K51 HydrophobicContact CG-CG 4.32Å
46P96.8Very high98.1Very high49 Ų4968.2 Ų68.232%0.31837%0.365SS..THydrogen-bonded Turntrans-55-35.3-179.5-26.136000113.9K48 P49 P96 F97P46-K48 VanDerWaalsContact C-N 3.26Å; P46-K48 PolarHBondContact O-N 2.85Å; P46-P49 WeakPolarHBondContact O-CD 3.46Å; P46-P49 WeakPolarHBondContact O-CG 3.06Å; P46-P96 HydrophobicContact CB-CB 4.47Å; P46-F97 HydrophobicContact CB-CE2 4.21Å; P46-F97 HydrophobicContact CB-CZ 4.04Å; P46-F97 WeakPolarHBondContact O-CE2 3.38Å
47E97Very high98.1Very high159 Ų15969 Ų6974%0.74337%0.371SS*.THydrogen-bonded Turntrans-74.6-19-179.4-53.574.8-165.300112.5Y45Y45-E47 PolarHBondContact O-N 2.82Å
48K97.7Very high98.1Very high145 Ų14566.4 Ų66.463%0.6336%0.359SS*.SBendtrans-138.472.6176.8-65.2-176.5-178.4177.70109.1Y45 P46 L50 K51Y45-K48 CarbonylContact O-C 3.47Å; Y45-K48 PolarHBondContact O-N 3.46Å; Y45-K48 VanDerWaalsContact O-O 3.14Å; P46-K48 VanDerWaalsContact C-N 3.26Å; P46-K48 PolarHBondContact O-N 2.85Å; K48-L50 VanDerWaalsContact C-N 3.26Å; K48-L50 PolarHBondContact O-N 2.88Å; K48-L50 VanDerWaalsContact O-N 3.12Å; K48-K51 HydrophobicContact CB-CB 3.97Å; K48-K51 WeakPolarHBondContact O-CB 3.45Å; K48-K51 PolarHBondContact O-N 2.92Å
49P97.3Very high98.1Very high41 Ų4163.7 Ų63.727%0.26634%0.343SS..THydrogen-bonded Turntrans-53.4-41.1-169-29.836.5000114Y45 P46 K51 R56 P96 F97Y45-P49 WeakPolarHBondContact O-CA 3.39Å; P46-P49 WeakPolarHBondContact O-CD 3.46Å; P46-P49 WeakPolarHBondContact O-CG 3.06Å; P49-K51 VanDerWaalsContact C-N 3.25Å; P49-K51 PolarHBondContact O-N 3.15Å; P49-R56 PolarHBondContact O-NH2 3.31Å; P49-P96 HydrophobicContact CB-CB 4.08Å; P49-P96 HydrophobicContact CB-CG 4.23Å; P49-P96 HydrophobicContact CG-CB 4.28Å; P49-F97 HydrophobicContact CG-CD2 4.07Å; P49-F97 HydrophobicContact CG-CE2 4.33Å
50L97.6Very high98.1Very high141 Ų14161.9 Ų61.974%0.73834%0.335SS*.THydrogen-bonded Turntrans-71.1-15.5-179.5-58.6179.8000114K48 G52 S53K48-L50 VanDerWaalsContact C-N 3.26Å; K48-L50 PolarHBondContact O-N 2.88Å; K48-L50 VanDerWaalsContact O-N 3.12Å; L50-G52 PolarHBondContact O-N 3.47Å; L50-S53 WeakPolarHBondContact O-CB 3.46Å; L50-S53 PolarHBondContact O-N 3.36Å; L50-S53 VanDerWaalsContact O-N 3.12Å
51K98.3Very high97.9Very high105 Ų10562 Ų6246%0.45734%0.336SS..THydrogen-bonded Turntrans-65.3120.1176.8-175.4-175.9173-163.40109Y45 K48 P49 S53 R56Y45-K51 HydrophobicContact CD1-CD 4.01Å; Y45-K51 HydrophobicContact CD2-CB 3.97Å; Y45-K51 HydrophobicContact CD2-CD 3.79Å; Y45-K51 HydrophobicContact CD2-CG 3.84Å; Y45-K51 WeakPolarHBondContact CD2-O 3.42Å; Y45-K51 HydrophobicContact CE1-CD 4.1Å; Y45-K51 HydrophobicContact CE2-CD 3.91Å; Y45-K51 HydrophobicContact CE2-CG 4.01Å; Y45-K51 HydrophobicContact CG-CB 4.32Å; Y45-K51 HydrophobicContact CG-CD 3.84Å; Y45-K51 HydrophobicContact CG-CG 4.32Å; K48-K51 HydrophobicContact CB-CB 3.97Å; K48-K51 WeakPolarHBondContact O-CB 3.45Å; K48-K51 PolarHBondContact O-N 2.92Å; P49-K51 VanDerWaalsContact C-N 3.25Å; P49-K51 PolarHBondContact O-N 3.15Å; K51-S53 VanDerWaalsContact C-N 3.3Å; K51-R56 PolarHBondContact O-NH1 3.16Å
52G98.2Very high97.6Very high29 Ų2962.7 Ų62.730%0.29934%0.339SS..THydrogen-bonded Turntrans77.99-178.700000114.7L50 G54 F55 R56L50-G52 PolarHBondContact O-N 3.47Å; G52-G54 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 3.27Å; G52-F55 WeakPolarHBondContact O-CB 3.36Å; G52-F55 PolarHBondContact O-N 2.83Å; G52-R56 PolarHBondContact O-N 3.24Å
53S98.4Very high97.4Very high17 Ų1767.2 Ų67.212%0.11935%0.347CS..Hα-helixtrans-55.9-44.5179.1177.30000112.4L50 K51 F55 R56 C57 D95L50-S53 WeakPolarHBondContact O-CB 3.46Å; L50-S53 PolarHBondContact O-N 3.36Å; L50-S53 VanDerWaalsContact O-N 3.12Å; K51-S53 VanDerWaalsContact C-N 3.3Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-F55 PolarHBondContact O-N 3.13Å; S53-R56 CarbonylContact O-C 3.57Å; S53-R56 PolarHBondContact O-N 3.27Å; S53-R56 VanDerWaalsContact O-N 3.11Å; S53-C57 PolarHBondContact O-N 3.3Å; S53-D95 WeakPolarHBondContact CA-OD1 3.13Å; S53-D95 WeakPolarHBondContact CB-OD1 3.44Å; S53-D95 VanDerWaalsContact CB-OD2 3.26Å; S53-D95 WeakPolarHBondContact CB-OD2 3.41Å; S53-D95 PolarHBondContact OG-OD1 2.92Å; S53-D95 PolarHBondContact OG-OD2 2.91Å
54G98.1Very high97.4Very high64 Ų6464.6 Ų64.666%0.6634%0.336SS*.Hα-helixtrans-63.3-33175.300000114.5G52G52-G54 VanDerWaalsContact C-N 3.33Å; G52-G54 PolarHBondContact O-N 3.27Å
55F98.6Very high97.4Very high95 Ų9563.4 Ų63.442%0.41733%0.333SS..Hα-helixtrans-69.9-38.1173.5167-93.8000111.3K39 H43 G52 S53K39-F55 WeakPolarHBondContact CE-O 3.4Å; K39-F55 HydrophobicContact CG-CE1 4Å; K39-F55 HydrophobicContact CG-CZ 3.84Å; K39-F55 PolarHBondContact NZ-O 2.97Å; K39-F55 WeakPolarHBondContact O-CE1 3.39Å; K39-F55 VanDerWaalsContact O-CZ 3.3Å; K39-F55 WeakPolarHBondContact O-CZ 3.4Å; H43-F55 HydrophobicContact CB-CD1 3.87Å; H43-F55 HydrophobicContact CB-CE1 3.67Å; H43-F55 AromaticContact CD2-CD1 3.94Å; H43-F55 AromaticContact CD2-CE1 3.8Å; H43-F55 AromaticContact CG-CD1 3.93Å; H43-F55 AromaticContact CG-CE1 3.52Å; H43-F55 AromaticContact ND1-CE1 3.93Å; G52-F55 WeakPolarHBondContact O-CB 3.36Å; G52-F55 PolarHBondContact O-N 2.83Å; S53-F55 VanDerWaalsContact C-N 3.32Å; S53-F55 PolarHBondContact O-N 3.13Å
56R98.8Very high97.4Very high0 Ų064.9 Ų64.90%035%0.351CS..Hα-helixtrans-76.8-25.7179.5-66.6-165.1-59.5-84.2-6.9113.1Y40 H43 P49 K51 G52 S53 V58 I94 D95Y40-R56 HydrophobicContact CD1-CB 4.04Å; Y40-R56 HydrophobicContact CD1-CG 3.57Å; Y40-R56 HydrophobicContact CD2-CG 4.44Å; Y40-R56 VanDerWaalsContact CE1-CA 3.45Å; Y40-R56 HydrophobicContact CE1-CB 3.5Å; Y40-R56 HydrophobicContact CE1-CG 3.61Å; Y40-R56 WeakPolarHBondContact CE1-O 3.12Å; Y40-R56 HydrophobicContact CE2-CB 4.34Å; Y40-R56 HydrophobicContact CE2-CG 4.46Å; Y40-R56 HydrophobicContact CG-CG 4.02Å; Y40-R56 PolarHBondContact OH-O 3.39Å; H43-R56 PolarHBondContact O-NH1 3.37Å; P49-R56 PolarHBondContact O-NH2 3.31Å; K51-R56 PolarHBondContact O-NH1 3.16Å; G52-R56 PolarHBondContact O-N 3.24Å; S53-R56 CarbonylContact O-C 3.57Å; S53-R56 PolarHBondContact O-N 3.27Å; S53-R56 VanDerWaalsContact O-N 3.11Å; R56-V58 PolarHBondContact O-N 3.25Å; R56-I94 PolarHBondContact NE-O 2.87Å; R56-D95 IonicContact CZ-OD1 3.87Å; R56-D95 IonicContact NE-OD1 3.07Å; R56-D95 PolarHBondContact NE-OD1 3.12Å; R56-D95 IonicContact NH2-OD1 2.81Å; R56-D95 PolarHBondContact NH2-OD1 3.45Å
57C98.6Very high97.5Very high18 Ų1863.4 Ų63.412%0.12234%0.341CS..  trans-46133.3178.5-173.70000111.6K39 S53 V92K39-C57 PolarHBondContact NZ-O 3.3Å; S53-C57 PolarHBondContact O-N 3.3Å; C57-V92 WeakPolarHBondContact CA-O 3.4Å
58V98.7Very high97.6Very high0 Ų055.9 Ų55.90%031%0.306CS..EExtended strand (participates in β ladder)trans-105.8112.9173-179.10000107.2I12 L36 R56 V68 V92 I94I12-V58 HydrophobicContact CD1-CG1 4.44Å; L36-V58 HydrophobicContact CD2-CG2 3.66Å; R56-V58 PolarHBondContact O-N 3.25Å; V58-V68 HydrophobicContact CG1-CG2 3.65Å; V58-V92 HydrophobicContact CB-CB 4.48Å; V58-V92 PolarHBondContact N-O 3.17Å; V58-V92 PolarHBondContact O-N 3.32Å; V58-I94 HydrophobicContact CG2-CD1 4.34Å
59H98.4Very high97.6Very high55 Ų5552.1 Ų52.126%0.25529%0.29SS..EExtended strand (participates in β ladder)trans-111.9133.6-178-176.968.7000111.1M63 D65 E89 L90 S91H59-M63 PolarHBondContact CD2-O 2.84Å; H59-D65 WeakPolarHBondContact O-CB 3.4Å; H59-D65 PolarHBondContact O-N 2.89Å; H59-E89 IonicContact CE1-OE2 3.33Å; H59-E89 PolarHBondContact CE1-OE2 3.35Å; H59-E89 IonicContact NE2-OE2 2.68Å; H59-E89 PolarHBondContact NE2-OE2 3.31Å; H59-L90 CarbonylContact C-O 3.42Å; H59-L90 WeakPolarHBondContact CA-O 3.46Å; H59-L90 PolarHBondContact ND1-O 2.79Å; H59-S91 PolarHBondContact ND1-OG 3.02Å
60I98Very high97.7Very high3 Ų353.2 Ų53.22%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-133.187.4177-45.1174.5000107.8I12 V64 V68 V86 L90I12-I60 HydrophobicContact CG2-CD1 4.38Å; I60-V64 HydrophobicContact CG2-CG1 4.39Å; I60-V64 HydrophobicContact CG2-CG2 4.29Å; I60-V68 HydrophobicContact CD1-CG1 4.15Å; I60-V68 HydrophobicContact CD1-CG2 4.2Å; I60-V68 HydrophobicContact CG1-CG1 4.37Å; I60-V68 HydrophobicContact CG1-CG2 4.2Å; I60-V86 HydrophobicContact CB-CG2 4.19Å; I60-V86 HydrophobicContact CD1-CG2 4.39Å; I60-V86 HydrophobicContact CG2-CG2 3.61Å; I60-L90 HydrophobicContact CD1-CD2 4.46Å; I60-L90 PolarHBondContact N-O 3.45Å; I60-L90 PolarHBondContact O-N 3.29Å
61G94.4Very high97.8Very high2 Ų246.5 Ų46.52%0.02126%0.259CS..SBendtrans-130.8-138.9179.100000111.3M63 R83 E89G61-M63 VanDerWaalsContact C-N 3.25Å; G61-M63 PolarHBondContact N-O 3.3Å; G61-M63 VanDerWaalsContact N-O 3.17Å; G61-M63 PolarHBondContact O-N 3.24Å; G61-R83 WeakPolarHBondContact O-CD 3.24Å; G61-R83 VanDerWaalsContact O-CZ 3.24Å; G61-R83 PolarHBondContact O-NE 2.93Å; G61-E89 WeakPolarHBondContact CA-OE1 3.41Å
62E92.8Very high97.8Very high152 Ų15241.5 Ų41.571%0.7124%0.237SC*.SBendtrans-55.3-45166.9-172.4176.1-174.800111.7R83 E89E62-R83 PolarHBondContact O-NH1 3.14Å; E62-E89 PolarHBondContact N-OE1 2.81Å
63M94.1Very high97.8Very high151 Ų15146.2 Ų46.274%0.74425%0.249SC*.SBendtrans-97.4131.8169.4-61.1-172.3-176.800109.6H59 G61H59-M63 PolarHBondContact CD2-O 2.84Å; G61-M63 VanDerWaalsContact C-N 3.25Å; G61-M63 PolarHBondContact N-O 3.3Å; G61-M63 VanDerWaalsContact N-O 3.17Å; G61-M63 PolarHBondContact O-N 3.24Å
64V97.8Very high97.8Very high20 Ų2051.4 Ų51.412%0.12127%0.266CS..BIsolated β-bridgetrans-101.3133.4179-179.40000108.9I60 V68 E69 V79I60-V64 HydrophobicContact CG2-CG1 4.39Å; I60-V64 HydrophobicContact CG2-CG2 4.29Å; V64-V68 HydrophobicContact CG1-CB 3.76Å; V64-V68 HydrophobicContact CG1-CG1 3.63Å; V64-E69 HydrophobicContact CB-CG 4.03Å; V64-E69 HydrophobicContact CG1-CG 3.89Å; V64-V79 HydrophobicContact CB-CG1 4.43Å; V64-V79 HydrophobicContact CG1-CG1 4.26Å; V64-V79 HydrophobicContact CG2-CG1 4.3Å
65D98.3Very high97.8Very high21 Ų2148.4 Ų48.411%0.11224%0.235CC..PPolyproline II helixtrans-54.8132.2177.3-173.7-51.3000110.1K39 H59 V67 V68 E69K39-D65 IonicContact NZ-OD1 3.46Å; K39-D65 IonicContact NZ-OD2 3.02Å; K39-D65 PolarHBondContact NZ-OD2 2.88Å; H59-D65 WeakPolarHBondContact O-CB 3.4Å; H59-D65 PolarHBondContact O-N 2.89Å; D65-V67 PolarHBondContact O-N 2.86Å; D65-V67 VanDerWaalsContact OD1-CG2 3.28Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.34Å; D65-V67 PolarHBondContact OD1-N 2.88Å; D65-V68 HydrophobicContact CB-CG2 4.31Å; D65-V68 WeakPolarHBondContact O-CA 3.4Å; D65-V68 WeakPolarHBondContact O-CB 3.4Å; D65-V68 PolarHBondContact O-N 3.05Å; D65-E69 PolarHBondContact O-N 3.22Å; D65-E69 VanDerWaalsContact O-N 3.13Å
66P98.5Very high97.8Very high96 Ų9645.5 Ų45.562%0.62323%0.232SC*.Hα-helixtrans-50.9-31.8179.5-29.935.4000115V68 L70P66-V68 VanDerWaalsContact C-N 3.33Å; P66-L70 WeakPolarHBondContact O-CB 3.43Å; P66-L70 PolarHBondContact O-N 3.39Å
67V98.6Very high97.8Very high17 Ų1746.4 Ų46.410%0.10324%0.236CC..Hα-helixtrans-69.6-31.9176.8-58.90000112.5L32 L35 L36 K39 D65 A71L32-V67 HydrophobicContact CD1-CB 4.25Å; L32-V67 HydrophobicContact CD1-CG2 3.78Å; L35-V67 HydrophobicContact CB-CB 4.1Å; L35-V67 HydrophobicContact CB-CG1 4.27Å; L35-V67 HydrophobicContact CD1-CB 4.45Å; L35-V67 WeakPolarHBondContact CD1-O 3.49Å; L36-V67 HydrophobicContact CD2-CG2 3.86Å; K39-V67 HydrophobicContact CB-CG1 4.49Å; K39-V67 HydrophobicContact CD-CG1 3.85Å; D65-V67 PolarHBondContact O-N 2.86Å; D65-V67 VanDerWaalsContact OD1-CG2 3.28Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.34Å; D65-V67 PolarHBondContact OD1-N 2.88Å; V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.15Å; V67-A71 PolarHBondContact O-N 3.01Å
68V98.7Very high97.8Very high1 Ų147.4 Ų47.41%0.00625%0.246CC..Hα-helixtrans-72.6-45.2176.61740000109.9F28 L32 V58 I60 V64 D65 P66 L70 A71 A72 V82F28-V68 HydrophobicContact CE2-CG1 4.34Å; F28-V68 HydrophobicContact CZ-CG1 4.12Å; L32-V68 HydrophobicContact CD1-CG2 4.15Å; V58-V68 HydrophobicContact CG1-CG2 3.65Å; I60-V68 HydrophobicContact CD1-CG1 4.15Å; I60-V68 HydrophobicContact CD1-CG2 4.2Å; I60-V68 HydrophobicContact CG1-CG1 4.37Å; I60-V68 HydrophobicContact CG1-CG2 4.2Å; V64-V68 HydrophobicContact CG1-CB 3.76Å; V64-V68 HydrophobicContact CG1-CG1 3.63Å; D65-V68 HydrophobicContact CB-CG2 4.31Å; D65-V68 WeakPolarHBondContact O-CA 3.4Å; D65-V68 WeakPolarHBondContact O-CB 3.4Å; D65-V68 PolarHBondContact O-N 3.05Å; P66-V68 VanDerWaalsContact C-N 3.33Å; V68-L70 VanDerWaalsContact C-N 3.29Å; V68-L70 PolarHBondContact O-N 3.27Å; V68-A71 PolarHBondContact O-N 3.38Å; V68-A72 WeakPolarHBondContact O-CB 3.4Å; V68-A72 PolarHBondContact O-N 3.42Å; V68-V82 HydrophobicContact CG1-CG1 4.31Å
69E98.6Very high97.8Very high66 Ų6648.3 Ų48.331%0.30825%0.252SS..Hα-helixtrans-58.3-45.2174.8-63.2-165.1176.200111.8V64 D65 A72 K73 V79V64-E69 HydrophobicContact CB-CG 4.03Å; V64-E69 HydrophobicContact CG1-CG 3.89Å; D65-E69 PolarHBondContact O-N 3.22Å; D65-E69 VanDerWaalsContact O-N 3.13Å; E69-A72 PolarHBondContact O-N 2.84Å; E69-K73 WeakPolarHBondContact O-CB 3.42Å; E69-K73 WeakPolarHBondContact O-CD 3Å; E69-K73 VanDerWaalsContact O-CG 3.26Å; E69-K73 WeakPolarHBondContact O-CG 3.39Å; E69-K73 PolarHBondContact O-N 3.27Å; E69-K73 IonicContact OE2-NZ 3.5Å; E69-K73 PolarHBondContact OE2-NZ 3.4Å; E69-V79 HydrophobicContact CB-CG2 4.2Å; E69-V79 HydrophobicContact CG-CG1 4.02Å; E69-V79 HydrophobicContact CG-CG2 4.44Å
70L98.8Very high97.7Very high65 Ų6552 Ų5234%0.3427%0.269SS..Hα-helixtrans-67.4-38.9-178.6-175.758.1000111.4L35 P66 V68 K73 R74L35-L70 HydrophobicContact CD1-CB 3.95Å; L35-L70 HydrophobicContact CD1-CD2 4.03Å; L35-L70 HydrophobicContact CD1-CG 3.9Å; L35-L70 HydrophobicContact CD2-CD2 3.63Å; L35-L70 HydrophobicContact CD2-CG 4.35Å; P66-L70 WeakPolarHBondContact O-CB 3.43Å; P66-L70 PolarHBondContact O-N 3.39Å; V68-L70 VanDerWaalsContact C-N 3.29Å; V68-L70 PolarHBondContact O-N 3.27Å; L70-K73 PolarHBondContact O-N 3.25Å; L70-R74 HydrophobicContact CD1-CG 4.35Å; L70-R74 WeakPolarHBondContact O-CB 3.4Å; L70-R74 VanDerWaalsContact O-CG 3.23Å; L70-R74 WeakPolarHBondContact O-CG 3.45Å; L70-R74 PolarHBondContact O-N 3.4Å
71A98.8Very high97.7Very high0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-63-43.417400000111.9F28 E31 L32 L35 V67 V68 R74 S75F28-A71 HydrophobicContact CD2-CB 3.78Å; F28-A71 HydrophobicContact CE2-CB 3.65Å; F28-A71 HydrophobicContact CZ-CB 4.41Å; E31-A71 HydrophobicContact CB-CB 4.17Å; L32-A71 HydrophobicContact CB-CB 3.85Å; L32-A71 HydrophobicContact CD1-CB 4.25Å; L35-A71 HydrophobicContact CD1-CB 4.09Å; V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.15Å; V67-A71 PolarHBondContact O-N 3.01Å; V68-A71 PolarHBondContact O-N 3.38Å; A71-R74 PolarHBondContact O-N 3.25Å; A71-S75 WeakPolarHBondContact O-CB 3.42Å; A71-S75 PolarHBondContact O-N 3.46Å; A71-S75 PolarHBondContact O-OG 3.19Å; A71-S75 VanDerWaalsContact O-OG 3.07Å
72A98.6Very high97.9Very high0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-61.3-48.4176.500000111.5F28 V68 E69 R74 S75 G76 L77 V79 V82F28-A72 HydrophobicContact CD2-CB 4.29Å; F28-A72 HydrophobicContact CE2-CB 4.16Å; V68-A72 WeakPolarHBondContact O-CB 3.4Å; V68-A72 PolarHBondContact O-N 3.42Å; E69-A72 PolarHBondContact O-N 2.84Å; A72-R74 VanDerWaalsContact C-N 3.32Å; A72-R74 PolarHBondContact O-N 2.65Å; A72-S75 PolarHBondContact O-N 2.92Å; A72-S75 PolarHBondContact O-OG 3.45Å; A72-S75 VanDerWaalsContact O-OG 3.06Å; A72-G76 PolarHBondContact O-N 3.31Å; A72-L77 CarbonylContact C-O 3.49Å; A72-L77 HydrophobicContact CB-CB 4.42Å; A72-L77 PolarHBondContact O-N 3.28Å; A72-L77 VanDerWaalsContact O-O 3.06Å; A72-V79 HydrophobicContact CB-CG2 4.12Å; A72-V82 HydrophobicContact CB-CG2 4.02Å
73K98.6Very high98.1Very high127 Ų12753.7 Ų53.755%0.55228%0.275SS*.Hα-helixtrans-58.3-42.7177.4-71.6163.9-176.6161.80111.7E69 L70 G76 V79E69-K73 WeakPolarHBondContact O-CB 3.42Å; E69-K73 WeakPolarHBondContact O-CD 3Å; E69-K73 VanDerWaalsContact O-CG 3.26Å; E69-K73 WeakPolarHBondContact O-CG 3.39Å; E69-K73 PolarHBondContact O-N 3.27Å; E69-K73 IonicContact OE2-NZ 3.5Å; E69-K73 PolarHBondContact OE2-NZ 3.4Å; L70-K73 PolarHBondContact O-N 3.25Å; K73-G76 PolarHBondContact O-N 3.43Å; K73-V79 HydrophobicContact CG-CG2 4.44Å
74R98.7Very high98.3Very high127 Ų12750.3 Ų50.348%0.47927%0.271SS..Hα-helixtrans-73.6-34.4-179.7-70.5174.6-175.6-135.80.7113.8E31 L70 A71 A72 G76E31-R74 HydrophobicContact CB-CB 4.42Å; E31-R74 HydrophobicContact CG-CB 3.78Å; E31-R74 WeakPolarHBondContact OE2-CD 3.47Å; E31-R74 IonicContact OE2-NH1 3.45Å; L70-R74 HydrophobicContact CD1-CG 4.35Å; L70-R74 WeakPolarHBondContact O-CB 3.4Å; L70-R74 VanDerWaalsContact O-CG 3.23Å; L70-R74 WeakPolarHBondContact O-CG 3.45Å; L70-R74 PolarHBondContact O-N 3.4Å; A71-R74 PolarHBondContact O-N 3.25Å; A72-R74 VanDerWaalsContact C-N 3.32Å; A72-R74 PolarHBondContact O-N 2.65Å; R74-G76 PolarHBondContact O-N 3.4Å
75S98.5Very high98.3Very high1 Ų151.6 Ų51.61%0.00728%0.277CS..Hα-helixtrans-78.7-10173.769.20000112.8R24 A71 A72R24-S75 WeakPolarHBondContact CD-O 3.4Å; R24-S75 PolarHBondContact NE-O 3.05Å; R24-S75 PolarHBondContact NH1-O 3.41Å; A71-S75 WeakPolarHBondContact O-CB 3.42Å; A71-S75 PolarHBondContact O-N 3.46Å; A71-S75 PolarHBondContact O-OG 3.19Å; A71-S75 VanDerWaalsContact O-OG 3.07Å; A72-S75 PolarHBondContact O-N 2.92Å; A72-S75 PolarHBondContact O-OG 3.45Å; A72-S75 VanDerWaalsContact O-OG 3.06Å
76G98.3Very high98.3Very high34 Ų3451.1 Ų51.135%0.35128%0.275SS..THydrogen-bonded Turntrans70.538-179.600000113R24 A72 K73 R74R24-G76 PolarHBondContact NE-O 2.84Å; R24-G76 PolarHBondContact NH2-O 3.18Å; A72-G76 PolarHBondContact O-N 3.31Å; K73-G76 PolarHBondContact O-N 3.43Å; R74-G76 PolarHBondContact O-N 3.4Å
77L98.4Very high98.3Very high18 Ų1847.7 Ų47.79%0.09425%0.252CS..  trans-100.7146.6165.6-65173.6000109L20 R24 F28 A72 V82L20-L77 HydrophobicContact CB-CD2 4.32Å; L20-L77 HydrophobicContact CD1-CD1 3.98Å; L20-L77 HydrophobicContact CD1-CD2 4.15Å; R24-L77 HydrophobicContact CB-CD1 4.42Å; R24-L77 HydrophobicContact CB-CD2 3.62Å; R24-L77 HydrophobicContact CB-CG 3.99Å; R24-L77 HydrophobicContact CG-CD2 4.42Å; F28-L77 HydrophobicContact CB-CD1 3.95Å; F28-L77 HydrophobicContact CD2-CD1 4.43Å; F28-L77 HydrophobicContact CG-CD1 4.33Å; A72-L77 CarbonylContact C-O 3.49Å; A72-L77 HydrophobicContact CB-CB 4.42Å; A72-L77 PolarHBondContact O-N 3.28Å; A72-L77 VanDerWaalsContact O-O 3.06Å; L77-V82 HydrophobicContact CB-CG2 4.08Å; L77-V82 HydrophobicContact CD1-CG2 4.08Å
78A98.1Very high98.1Very high40 Ų4054.6 Ų54.633%0.33128%0.283SS..  trans-69.7141.7167.500000109.4E80 D81 V82A78-E80 PolarHBondContact O-N 3.04Å; A78-D81 HydrophobicContact CB-CB 4.16Å; A78-D81 PolarHBondContact O-N 3.31Å; A78-V82 PolarHBondContact O-N 3.03Å
79V98.1Very high98Very high19 Ų1956.4 Ų56.412%0.11529%0.292CS..Hα-helixtrans-64.1-37.4179.8178.80000109.7V64 E69 A72 K73 D81 V82 R83V64-V79 HydrophobicContact CB-CG1 4.43Å; V64-V79 HydrophobicContact CG1-CG1 4.26Å; V64-V79 HydrophobicContact CG2-CG1 4.3Å; E69-V79 HydrophobicContact CB-CG2 4.2Å; E69-V79 HydrophobicContact CG-CG1 4.02Å; E69-V79 HydrophobicContact CG-CG2 4.44Å; A72-V79 HydrophobicContact CB-CG2 4.12Å; K73-V79 HydrophobicContact CG-CG2 4.44Å; V79-D81 VanDerWaalsContact C-N 3.34Å; V79-D81 PolarHBondContact O-N 2.95Å; V79-V82 PolarHBondContact O-N 2.64Å; V79-R83 PolarHBondContact O-N 2.86Å
80E97.8Very high98Very high133 Ų13353.2 Ų53.262%0.62128%0.277SS*.Hα-helixtrans-62.5-40.9178.4-6071.8-157.800111.2A78 R83 A84A78-E80 PolarHBondContact O-N 3.04Å; E80-R83 PolarHBondContact O-N 2.58Å; E80-A84 VanDerWaalsContact O-CB 3.22Å; E80-A84 WeakPolarHBondContact O-CB 3.3Å; E80-A84 PolarHBondContact O-N 3.3Å
81D97.8Very high98Very high82 Ų8250.9 Ų50.944%0.43927%0.266SS..Hα-helixtrans-66.5-38.2176.4-74.4-21000111.6L20 A78 V79 N85L20-D81 HydrophobicContact CD2-CB 4.05Å; A78-D81 HydrophobicContact CB-CB 4.16Å; A78-D81 PolarHBondContact O-N 3.31Å; V79-D81 VanDerWaalsContact C-N 3.34Å; V79-D81 PolarHBondContact O-N 2.95Å; D81-N85 PolarHBondContact O-N 3.07Å; D81-N85 PolarHBondContact O-ND2 3.37Å
82V98.1Very high98Very high2 Ų250.9 Ų50.91%0.01227%0.266CS..Hα-helixtrans-65.2-50174.9175.50000109.9L16 L20 F28 V68 A72 L77 A78 V79 A84 N85 V86L16-V82 HydrophobicContact CD1-CG1 4.39Å; L16-V82 HydrophobicContact CD2-CG1 4.25Å; L20-V82 HydrophobicContact CD1-CG2 4.28Å; F28-V82 HydrophobicContact CE2-CG1 4.27Å; F28-V82 HydrophobicContact CE2-CG2 4.37Å; F28-V82 HydrophobicContact CZ-CG1 4.08Å; V68-V82 HydrophobicContact CG1-CG1 4.31Å; A72-V82 HydrophobicContact CB-CG2 4.02Å; L77-V82 HydrophobicContact CB-CG2 4.08Å; L77-V82 HydrophobicContact CD1-CG2 4.08Å; A78-V82 PolarHBondContact O-N 3.03Å; V79-V82 PolarHBondContact O-N 2.64Å; V82-A84 VanDerWaalsContact C-N 3.33Å; V82-A84 PolarHBondContact O-N 3.34Å; V82-N85 PolarHBondContact O-N 3.42Å; V82-V86 PolarHBondContact O-N 3.02Å
83R97.9Very high98Very high108 Ų10853.5 Ų53.541%0.40828%0.276SS..Hα-helixtrans-58.4-42.2178.4179.4-179.2166.1-175.5-2.1112.1G61 E62 V79 E80 N85 V86G61-R83 WeakPolarHBondContact O-CD 3.24Å; G61-R83 VanDerWaalsContact O-CZ 3.24Å; G61-R83 PolarHBondContact O-NE 2.93Å; E62-R83 PolarHBondContact O-NH1 3.14Å; V79-R83 PolarHBondContact O-N 2.86Å; E80-R83 PolarHBondContact O-N 2.58Å; R83-N85 PolarHBondContact O-N 3.07Å; R83-V86 WeakPolarHBondContact O-CG2 3.34Å
84A97.6Very high98Very high80 Ų8047.5 Ų47.566%0.66125%0.25SC*.Hα-helixtrans-68.7-18-177.600000114.1E80 V82E80-A84 VanDerWaalsContact O-CB 3.22Å; E80-A84 WeakPolarHBondContact O-CB 3.3Å; E80-A84 PolarHBondContact O-N 3.3Å; V82-A84 VanDerWaalsContact C-N 3.33Å; V82-A84 PolarHBondContact O-N 3.34Å
85N98.1Very high98Very high46 Ų4641.8 Ų41.825%0.24623%0.229CC..Hα-helixtrans-103.3-15.9-177.8-75.2-73.1000113.9Y15 L16 K19 D81 V82 R83Y15-N85 WeakPolarHBondContact CB-O 3.41Å; L16-N85 HydrophobicContact CD2-CB 4.01Å; K19-N85 HydrophobicContact CB-CB 4.35Å; K19-N85 VanDerWaalsContact CB-OD1 3.22Å; K19-N85 WeakPolarHBondContact CB-OD1 3.27Å; K19-N85 WeakPolarHBondContact CG-OD1 3.43Å; D81-N85 PolarHBondContact O-N 3.07Å; D81-N85 PolarHBondContact O-ND2 3.37Å; V82-N85 PolarHBondContact O-N 3.42Å; R83-N85 PolarHBondContact O-N 3.07Å
86V97.7Very high98Very high12 Ų1241.9 Ų41.97%0.07323%0.23CC..SBendtrans-87.4159.7170.4-60.90000110.7L16 I60 V82 R83 L90L16-V86 HydrophobicContact CD2-CG1 4.11Å; I60-V86 HydrophobicContact CB-CG2 4.19Å; I60-V86 HydrophobicContact CD1-CG2 4.39Å; I60-V86 HydrophobicContact CG2-CG2 3.61Å; V82-V86 PolarHBondContact O-N 3.02Å; R83-V86 WeakPolarHBondContact O-CG2 3.34Å; V86-L90 HydrophobicContact CB-CD2 4.43Å
87P97.8Very high98Very high24 Ų2443.3 Ų43.316%0.15623%0.226CC..PPolyproline II helixtrans-55.6143.8172.1-24.134.2000112.2Y15 I103Y15-P87 HydrophobicContact CD1-CG 4.15Å; Y15-P87 HydrophobicContact CE1-CG 3.58Å; Y15-P87 HydrophobicContact CE2-CG 4.07Å; P87-I103 HydrophobicContact CB-CB 4.39Å; P87-I103 HydrophobicContact CB-CD1 3.8Å; P87-I103 HydrophobicContact CB-CG1 3.92Å; P87-I103 HydrophobicContact CB-CG2 3.59Å; P87-I103 HydrophobicContact CG-CD1 3.71Å; P87-I103 HydrophobicContact CG-CG1 4.26Å
88E95Very high98Very high161 Ų16145.8 Ų45.875%0.75224%0.237SC*.THydrogen-bonded Turntrans-62.8135.8175.4-174.3173-161.200110.6G104E88-G104 PolarHBondContact O-N 2.76Å
89E96.8Very high98Very high39 Ų3943.9 Ų43.918%0.18222%0.221CC..THydrogen-bonded Turntrans52.857-178.1-66.8-58.3137.400112.4H59 G61 E62 G104 E105H59-E89 IonicContact CE1-OE2 3.33Å; H59-E89 PolarHBondContact CE1-OE2 3.35Å; H59-E89 IonicContact NE2-OE2 2.68Å; H59-E89 PolarHBondContact NE2-OE2 3.31Å; G61-E89 WeakPolarHBondContact CA-OE1 3.41Å; E62-E89 PolarHBondContact N-OE1 2.81Å; E89-G104 PolarHBondContact O-N 2.66Å; E89-E105 HydrophobicContact CG-CG 4.38Å
90L98.6Very high98Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-85.8125175.717565.1000110.5F11 H59 I60 V86 V92 Y101 I103F11-L90 HydrophobicContact CE1-CD1 3.9Å; F11-L90 HydrophobicContact CE1-CD2 4.29Å; F11-L90 HydrophobicContact CZ-CD1 4.37Å; H59-L90 CarbonylContact C-O 3.42Å; H59-L90 WeakPolarHBondContact CA-O 3.46Å; H59-L90 PolarHBondContact ND1-O 2.79Å; I60-L90 HydrophobicContact CD1-CD2 4.46Å; I60-L90 PolarHBondContact N-O 3.45Å; I60-L90 PolarHBondContact O-N 3.29Å; V86-L90 HydrophobicContact CB-CD2 4.43Å; L90-V92 HydrophobicContact CD1-CG2 4.06Å; L90-V92 HydrophobicContact CD2-CG2 4.27Å; L90-V92 HydrophobicContact CG-CG2 4.06Å; L90-Y101 HydrophobicContact CD1-CD2 4.14Å; L90-I103 HydrophobicContact CD1-CG1 3.86Å
91S98.6Very high98.1Very high15 Ų1538.4 Ų38.411%0.10519%0.194CC..EExtended strand (participates in β ladder)trans-119.3134.4168.9-620000110H59 Y101 Q102H59-S91 PolarHBondContact ND1-OG 3.02Å; S91-Y101 CarbonylContact O-C 2.99Å; S91-Y101 WeakPolarHBondContact O-CA 3.39Å; S91-Y101 WeakPolarHBondContact O-CB 3.4Å; S91-Q102 PolarHBondContact N-O 2.87Å; S91-Q102 PolarHBondContact O-N 2.76Å
92V98.8Very high98.1Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-127.2120.2177.8-173.40000109.5A8 F11 I12 C57 V58 L90 I94 V99 S100A8-V92 HydrophobicContact CB-CG1 4.05Å; F11-V92 HydrophobicContact CD1-CG2 4.41Å; F11-V92 HydrophobicContact CE1-CG2 4.31Å; I12-V92 HydrophobicContact CD1-CG2 4.34Å; I12-V92 HydrophobicContact CG1-CG2 4.39Å; C57-V92 WeakPolarHBondContact CA-O 3.4Å; V58-V92 HydrophobicContact CB-CB 4.48Å; V58-V92 PolarHBondContact N-O 3.17Å; V58-V92 PolarHBondContact O-N 3.32Å; L90-V92 HydrophobicContact CD1-CG2 4.06Å; L90-V92 HydrophobicContact CD2-CG2 4.27Å; L90-V92 HydrophobicContact CG-CG2 4.06Å; V92-I94 HydrophobicContact CG1-CG1 4.16Å; V92-V99 HydrophobicContact CG1-CG1 4.22Å; V92-S100 CarbonylContact C-O 3.45Å; V92-S100 WeakPolarHBondContact CA-O 3.35Å
93W98.8Very high98.1Very high55 Ų5539.3 Ų39.321%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-94.7127.8172.7-63.5-89.7000109.5V99 S100 Q102 V109W93-V99 WeakPolarHBondContact O-CA 3.11Å; W93-S100 PolarHBondContact N-O 3.33Å; W93-S100 PolarHBondContact O-N 3.1Å; W93-S100 VanDerWaalsContact O-N 3.1Å; W93-Q102 HydrophobicContact CH2-CB 3.75Å; W93-Q102 HydrophobicContact CZ3-CB 3.6Å; W93-V109 HydrophobicContact CH2-CG2 4.45Å; W93-V109 HydrophobicContact CZ3-CG1 4.36Å; W93-V109 HydrophobicContact CZ3-CG2 4.19Å
94I98.8Very high98.1Very high1 Ų135.3 Ų35.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-120.192.5179.7-48.1-177.4000106.4E4 I5 A8 L36 Y40 W44 R56 V58 V92 V99E4-I94 HydrophobicContact CB-CG2 3.85Å; I5-I94 HydrophobicContact CG1-CG2 4.26Å; A8-I94 HydrophobicContact CB-CD1 3.33Å; A8-I94 HydrophobicContact CB-CG1 3.78Å; L36-I94 HydrophobicContact CD1-CD1 4.19Å; Y40-I94 HydrophobicContact CE2-CB 3.9Å; Y40-I94 HydrophobicContact CE2-CD1 4.29Å; Y40-I94 HydrophobicContact CE2-CG2 3.95Å; Y40-I94 WeakPolarHBondContact OH-CD1 3.28Å; W44-I94 HydrophobicContact CH2-CG2 4.31Å; W44-I94 HydrophobicContact CZ3-CG2 4.31Å; W44-I94 WeakPolarHBondContact CZ3-O 3.39Å; R56-I94 PolarHBondContact NE-O 2.87Å; V58-I94 HydrophobicContact CG2-CD1 4.34Å; V92-I94 HydrophobicContact CG1-CG1 4.16Å; I94-V99 HydrophobicContact CG2-CG2 4.43Å
95D98.6Very high97.8Very high8 Ų839.2 Ų39.24%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-115.1158.9-174.1-66.6-21.7000109.8W44 S53 R56 F97 E98W44-D95 WeakPolarHBondContact CH2-O 3.39Å; S53-D95 WeakPolarHBondContact CA-OD1 3.13Å; S53-D95 WeakPolarHBondContact CB-OD1 3.44Å; S53-D95 VanDerWaalsContact CB-OD2 3.26Å; S53-D95 WeakPolarHBondContact CB-OD2 3.41Å; S53-D95 PolarHBondContact OG-OD1 2.92Å; S53-D95 PolarHBondContact OG-OD2 2.91Å; R56-D95 IonicContact CZ-OD1 3.87Å; R56-D95 IonicContact NE-OD1 3.07Å; R56-D95 PolarHBondContact NE-OD1 3.12Å; R56-D95 IonicContact NH2-OD1 2.81Å; R56-D95 PolarHBondContact NH2-OD1 3.45Å; D95-F97 PolarHBondContact O-N 3.47Å; D95-E98 CarbonylContact C-O 3.59Å; D95-E98 PolarHBondContact N-O 2.94Å; D95-E98 PolarHBondContact O-N 3.14Å
96P98.4Very high97.6Very high3 Ų346.5 Ų46.52%0.01922%0.223CC..THydrogen-bonded Turntrans-51.7127.4169.8-23.731.7000110.8W44 P46 P49 E98W44-P96 HydrophobicContact CD2-CG 4.05Å; W44-P96 HydrophobicContact CG-CG 4.47Å; W44-P96 HydrophobicContact CH2-CG 4.38Å; W44-P96 VanDerWaalsContact CZ2-CA 3.41Å; W44-P96 HydrophobicContact CZ2-CB 3.99Å; W44-P96 HydrophobicContact CZ2-CG 3.82Å; P46-P96 HydrophobicContact CB-CB 4.47Å; P49-P96 HydrophobicContact CB-CB 4.08Å; P49-P96 HydrophobicContact CB-CG 4.23Å; P49-P96 HydrophobicContact CG-CB 4.28Å; P96-E98 PolarHBondContact O-N 3.11Å; P96-E98 VanDerWaalsContact O-N 3.12Å
97F97.8Very high97.5Very high64 Ų6447 Ų4728%0.28123%0.231SC..THydrogen-bonded Turntrans69.4-8.4178.7-40.2-66.3000116.2P46 P49 D95 L114 D115 E118P46-F97 HydrophobicContact CB-CE2 4.21Å; P46-F97 HydrophobicContact CB-CZ 4.04Å; P46-F97 WeakPolarHBondContact O-CE2 3.38Å; P49-F97 HydrophobicContact CG-CD2 4.07Å; P49-F97 HydrophobicContact CG-CE2 4.33Å; D95-F97 PolarHBondContact O-N 3.47Å; F97-L114 CarbonylContact O-C 3.57Å; F97-L114 VanDerWaalsContact O-CA 3.28Å; F97-L114 WeakPolarHBondContact O-CA 3.42Å; F97-D115 HydrophobicContact CB-CB 4.08Å; F97-D115 HydrophobicContact CD1-CB 4.26Å; F97-D115 PolarHBondContact O-N 2.85Å; F97-E118 HydrophobicContact CE1-CG 4.44Å
98E98.4Very high97.5Very high69 Ų6949.5 Ų49.532%0.32225%0.254SS..EExtended strand (participates in β ladder)trans-138.5134-179.1-169-175.4128.200112D95 P96 S100 V111 Y113 L114D95-E98 CarbonylContact C-O 3.59Å; D95-E98 PolarHBondContact N-O 2.94Å; D95-E98 PolarHBondContact O-N 3.14Å; P96-E98 PolarHBondContact O-N 3.11Å; P96-E98 VanDerWaalsContact O-N 3.12Å; E98-S100 WeakPolarHBondContact OE1-CB 3.28Å; E98-S100 PolarHBondContact OE1-OG 3.23Å; E98-V111 HydrophobicContact CG-CG1 4.43Å; E98-Y113 CarbonylContact C-O 3.52Å; E98-Y113 WeakPolarHBondContact CA-O 3.26Å; E98-L114 HydrophobicContact CB-CD1 4Å; E98-L114 HydrophobicContact CG-CD1 4.01Å
99V98.8Very high97.7Very high0 Ų045.9 Ų45.90%024%0.242CC..EExtended strand (participates in β ladder)trans-120.6120.3163.4-174.40000107.9E4 V7 A8 V92 W93 I94 L112 Y113E4-V99 HydrophobicContact CB-CG2 3.56Å; E4-V99 HydrophobicContact CG-CG2 4.13Å; E4-V99 WeakPolarHBondContact O-CG2 3.3Å; V7-V99 HydrophobicContact CB-CG2 4.36Å; V7-V99 HydrophobicContact CG1-CB 4.29Å; V7-V99 HydrophobicContact CG1-CG1 4.36Å; V7-V99 HydrophobicContact CG1-CG2 4.44Å; A8-V99 HydrophobicContact CB-CG1 3.91Å; V92-V99 HydrophobicContact CG1-CG1 4.22Å; W93-V99 WeakPolarHBondContact O-CA 3.11Å; I94-V99 HydrophobicContact CG2-CG2 4.43Å; V99-L112 HydrophobicContact CB-CB 4.38Å; V99-L112 HydrophobicContact CG1-CB 4.27Å; V99-L112 HydrophobicContact CG1-CD1 4.07Å; V99-L112 PolarHBondContact O-N 3.2Å; V99-Y113 HydrophobicContact CG2-CD1 4.23Å; V99-Y113 PolarHBondContact N-O 2.87Å; V99-Y113 PolarHBondContact O-N 2.83Å; V99-Y113 VanDerWaalsContact O-N 3.11Å
100S98.8Very high97.7Very high6 Ų649.9 Ų49.94%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-134.5161.5-179.954.80000111.2V92 W93 E98 K110V92-S100 CarbonylContact C-O 3.45Å; V92-S100 WeakPolarHBondContact CA-O 3.35Å; W93-S100 PolarHBondContact N-O 3.33Å; W93-S100 PolarHBondContact O-N 3.1Å; W93-S100 VanDerWaalsContact O-N 3.1Å; E98-S100 WeakPolarHBondContact OE1-CB 3.28Å; E98-S100 PolarHBondContact OE1-OG 3.23Å; S100-K110 CarbonylContact C-O 3.58Å; S100-K110 WeakPolarHBondContact CA-O 3.22Å; S100-K110 VanDerWaalsContact CB-O 3.31Å; S100-K110 WeakPolarHBondContact CB-O 3.32Å
101Y98.8Very high97.7Very high32 Ų3253.7 Ų53.713%0.12528%0.282CS..EExtended strand (participates in β ladder)trans-145.6157.5-176.477.1-77.3000112.1F11 L90 S91 I103 V109 K110 L112F11-Y101 AromaticContact CE1-CD2 3.95Å; F11-Y101 HydrophobicContact CE1-CD2 3.95Å; F11-Y101 HydrophobicContact CE1-CE2 4.49Å; F11-Y101 AromaticContact CE1-CG 3.95Å; F11-Y101 HydrophobicContact CE1-CG 3.95Å; F11-Y101 HydrophobicContact CE2-CD2 4.43Å; F11-Y101 HydrophobicContact CE2-CE1 4.32Å; F11-Y101 HydrophobicContact CE2-CE2 4.2Å; F11-Y101 HydrophobicContact CZ-CD1 4.2Å; F11-Y101 AromaticContact CZ-CD2 3.51Å; F11-Y101 HydrophobicContact CZ-CD2 3.51Å; F11-Y101 HydrophobicContact CZ-CE1 4.26Å; F11-Y101 AromaticContact CZ-CE2 3.61Å; F11-Y101 HydrophobicContact CZ-CE2 3.61Å; F11-Y101 AromaticContact CZ-CG 3.81Å; F11-Y101 HydrophobicContact CZ-CG 3.81Å; F11-Y101 AromaticContact CZ-CZ 3.98Å; L90-Y101 HydrophobicContact CD1-CD2 4.14Å; S91-Y101 CarbonylContact O-C 2.99Å; S91-Y101 WeakPolarHBondContact O-CA 3.39Å; S91-Y101 WeakPolarHBondContact O-CB 3.4Å; Y101-I103 HydrophobicContact CD2-CD1 4.11Å; Y101-I103 HydrophobicContact CD2-CG1 3.87Å; Y101-I103 HydrophobicContact CE2-CD1 3.62Å; Y101-I103 HydrophobicContact CE2-CG1 3.85Å; Y101-V109 CarbonylContact O-C 3.54Å; Y101-V109 WeakPolarHBondContact O-CA 3.48Å; Y101-K110 HydrophobicContact CD1-CB 3.89Å; Y101-K110 VanDerWaalsContact CD1-O 3.24Å; Y101-K110 WeakPolarHBondContact CD1-O 3.42Å; Y101-K110 HydrophobicContact CE1-CB 3.36Å; Y101-K110 HydrophobicContact CE1-CD 4.27Å; Y101-K110 HydrophobicContact CE1-CG 4.45Å; Y101-K110 HydrophobicContact CE2-CB 4.45Å; Y101-K110 HydrophobicContact CE2-CD 4.41Å; Y101-K110 PolarHBondContact N-O 2.94Å; Y101-K110 PolarHBondContact O-N 3.21Å; Y101-K110 VanDerWaalsContact OH-CD 3.3Å; Y101-K110 WeakPolarHBondContact OH-CD 3.32Å; Y101-L112 HydrophobicContact CD1-CD1 3.95Å; Y101-L112 HydrophobicContact CD1-CD2 3.72Å; Y101-L112 HydrophobicContact CD1-CG 3.58Å; Y101-L112 HydrophobicContact CE1-CD2 3.54Å; Y101-L112 HydrophobicContact CE1-CG 3.93Å
102Q98.6Very high97.7Very high41 Ų4155.8 Ų55.819%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-132.6139.2173.5-177.3-174.631.200108.3S91 W93 G107 V109S91-Q102 PolarHBondContact N-O 2.87Å; S91-Q102 PolarHBondContact O-N 2.76Å; W93-Q102 HydrophobicContact CH2-CB 3.75Å; W93-Q102 HydrophobicContact CZ3-CB 3.6Å; Q102-G107 WeakPolarHBondContact CG-O 3.18Å; Q102-G107 PolarHBondContact NE2-O 3.46Å; Q102-V109 HydrophobicContact CB-CG2 4.34Å
103I98.2Very high97.7Very high62 Ų6258.2 Ų58.232%0.31830%0.301SS..EExtended strand (participates in β ladder)trans-118124.5173.6-64.8172.8000108P87 L90 Y101 G107P87-I103 HydrophobicContact CB-CB 4.39Å; P87-I103 HydrophobicContact CB-CD1 3.8Å; P87-I103 HydrophobicContact CB-CG1 3.92Å; P87-I103 HydrophobicContact CB-CG2 3.59Å; P87-I103 HydrophobicContact CG-CD1 3.71Å; P87-I103 HydrophobicContact CG-CG1 4.26Å; L90-I103 HydrophobicContact CD1-CG1 3.86Å; Y101-I103 HydrophobicContact CD2-CD1 4.11Å; Y101-I103 HydrophobicContact CD2-CG1 3.87Å; Y101-I103 HydrophobicContact CE2-CD1 3.62Å; Y101-I103 HydrophobicContact CE2-CG1 3.85Å; I103-G107 WeakPolarHBondContact O-CA 3.31Å
104G96.8Very high97.6Very high23 Ų2359.6 Ų59.624%0.23731%0.312CS..SBendtrans81.4150.3-175.800000112.6E88 E89 K106 G107E88-G104 PolarHBondContact O-N 2.76Å; E89-G104 PolarHBondContact O-N 2.66Å; G104-K106 PolarHBondContact O-N 2.71Å; G104-K106 VanDerWaalsContact O-N 3.11Å; G104-G107 PolarHBondContact O-N 2.81Å
105E92.2Very high97.3Very high162 Ų16262.4 Ų62.476%0.75733%0.327SS*.THydrogen-bonded Turntrans-54.9-33.1179-59.6-179.5164.700113.5E89E89-E105 HydrophobicContact CG-CG 4.38Å
106K93.7Very high96.4Very high200 Ų20068.4 Ų68.487%0.8736%0.359SS*.THydrogen-bonded Turntrans-107.313.2-179.9-58.9-173.3-177.9-179.30113G104G104-K106 PolarHBondContact O-N 2.71Å; G104-K106 VanDerWaalsContact O-N 3.11Å
107G95.7Very high95.1Very high23 Ų2372.5 Ų72.524%0.23739%0.388CS..PPolyproline II helixtrans-64.1149.4178.900000112.1Q102 I103 G104Q102-G107 WeakPolarHBondContact CG-O 3.18Å; Q102-G107 PolarHBondContact NE2-O 3.46Å; I103-G107 WeakPolarHBondContact O-CA 3.31Å; G104-G107 PolarHBondContact O-N 2.81Å
108A97.5Very high93.1Very high76 Ų7675.7 Ų75.763%0.62840%0.404SS*.PPolyproline II helixtrans-74.3142165.300000109.8
109V98.3Very high91Very high84 Ų8476.1 Ų76.151%0.50943%0.427SS..PPolyproline II helixtrans-70.8132.6170.7-1780000108.8W93 Y101 Q102W93-V109 HydrophobicContact CH2-CG2 4.45Å; W93-V109 HydrophobicContact CZ3-CG1 4.36Å; W93-V109 HydrophobicContact CZ3-CG2 4.19Å; Y101-V109 CarbonylContact O-C 3.54Å; Y101-V109 WeakPolarHBondContact O-CA 3.48Å; Q102-V109 HydrophobicContact CB-CG2 4.34Å
110K98.5Very high88.4Confident123 Ų12381.4 Ų81.454%0.53546%0.463SS..EExtended strand (participates in β ladder)trans-124143.7179.2-71.9-179.9177-178.20109.9S100 Y101S100-K110 CarbonylContact C-O 3.58Å; S100-K110 WeakPolarHBondContact CA-O 3.22Å; S100-K110 VanDerWaalsContact CB-O 3.31Å; S100-K110 WeakPolarHBondContact CB-O 3.32Å; Y101-K110 HydrophobicContact CD1-CB 3.89Å; Y101-K110 VanDerWaalsContact CD1-O 3.24Å; Y101-K110 WeakPolarHBondContact CD1-O 3.42Å; Y101-K110 HydrophobicContact CE1-CB 3.36Å; Y101-K110 HydrophobicContact CE1-CD 4.27Å; Y101-K110 HydrophobicContact CE1-CG 4.45Å; Y101-K110 HydrophobicContact CE2-CB 4.45Å; Y101-K110 HydrophobicContact CE2-CD 4.41Å; Y101-K110 PolarHBondContact N-O 2.94Å; Y101-K110 PolarHBondContact O-N 3.21Å; Y101-K110 VanDerWaalsContact OH-CD 3.3Å; Y101-K110 WeakPolarHBondContact OH-CD 3.32Å
111V98.4Very high85.9Confident81 Ų8184.6 Ų84.649%0.49150%0.497SS..EExtended strand (participates in β ladder)trans-94.4130.5-177.9-179.70000109.9E98 Y113 L114E98-V111 HydrophobicContact CG-CG1 4.43Å; V111-Y113 VanDerWaalsContact CG1-O 3.32Å; V111-Y113 WeakPolarHBondContact CG1-O 3.34Å; V111-L114 HydrophobicContact CG1-CB 4Å
112L98.3Very high83.4Confident59 Ų5987.5 Ų87.531%0.30953%0.527SS..EExtended strand (participates in β ladder)trans-95.2-34.7172.1-64.3171.8000111.6V7 F11 V99 Y101V7-L112 HydrophobicContact CG1-CB 3.86Å; F11-L112 HydrophobicContact CB-CD1 3.66Å; F11-L112 HydrophobicContact CD1-CD1 3.65Å; F11-L112 HydrophobicContact CD2-CD1 3.97Å; F11-L112 HydrophobicContact CD2-CD2 3.68Å; F11-L112 HydrophobicContact CD2-CG 4.49Å; F11-L112 HydrophobicContact CE1-CD1 4.27Å; F11-L112 HydrophobicContact CE2-CD2 4.03Å; F11-L112 HydrophobicContact CG-CD1 3.47Å; F11-L112 VanDerWaalsContact CG-CD1 3.47Å; F11-L112 HydrophobicContact CG-CD2 4.08Å; F11-L112 HydrophobicContact CG-CG 4.44Å; V99-L112 HydrophobicContact CB-CB 4.38Å; V99-L112 HydrophobicContact CG1-CB 4.27Å; V99-L112 HydrophobicContact CG1-CD1 4.07Å; V99-L112 PolarHBondContact O-N 3.2Å; Y101-L112 HydrophobicContact CD1-CD1 3.95Å; Y101-L112 HydrophobicContact CD1-CD2 3.72Å; Y101-L112 HydrophobicContact CD1-CG 3.58Å; Y101-L112 HydrophobicContact CE1-CD2 3.54Å; Y101-L112 HydrophobicContact CE1-CG 3.93Å
113Y98.4Very high80.9Confident50 Ų5090 Ų9020%0.19655%0.547CS..EExtended strand (participates in β ladder)trans-149.2137.3178.7170.3-104.2000109.5L3 E4 V7 E98 V99 V111 D115L3-Y113 HydrophobicContact CD2-CE1 4.49Å; L3-Y113 HydrophobicContact CD2-CE2 4.13Å; L3-Y113 WeakPolarHBondContact CD2-OH 3.14Å; E4-Y113 HydrophobicContact CG-CD1 4.08Å; E4-Y113 HydrophobicContact CG-CE1 3.89Å; V7-Y113 HydrophobicContact CG2-CG 4.37Å; E98-Y113 CarbonylContact C-O 3.52Å; E98-Y113 WeakPolarHBondContact CA-O 3.26Å; V99-Y113 HydrophobicContact CG2-CD1 4.23Å; V99-Y113 PolarHBondContact N-O 2.87Å; V99-Y113 PolarHBondContact O-N 2.83Å; V99-Y113 VanDerWaalsContact O-N 3.11Å; V111-Y113 VanDerWaalsContact CG1-O 3.32Å; V111-Y113 WeakPolarHBondContact CG1-O 3.34Å; Y113-D115 HydrophobicContact CE1-CB 4.21Å; Y113-D115 WeakPolarHBondContact OH-CB 3.34Å; Y113-D115 PolarHBondContact OH-OD2 2.84Å
114L97.1Very high78.6Confident85 Ų8596.7 Ų96.745%0.44558%0.577SS.*EExtended strand (participates in β ladder)trans-138.4130.2168.5-173.966.7000106.4F97 E98 V111F97-L114 CarbonylContact O-C 3.57Å; F97-L114 VanDerWaalsContact O-CA 3.28Å; F97-L114 WeakPolarHBondContact O-CA 3.42Å; E98-L114 HydrophobicContact CB-CD1 4Å; E98-L114 HydrophobicContact CG-CD1 4.01Å; V111-L114 HydrophobicContact CG1-CB 4Å
115D93.1Very high76.6Confident59 Ų59101.4 Ų101.432%0.31660%0.596SS.*  trans-88.4105.4171.8-161.6-7.5000109.6F97 Y113 S117F97-D115 HydrophobicContact CB-CB 4.08Å; F97-D115 HydrophobicContact CD1-CB 4.26Å; F97-D115 PolarHBondContact O-N 2.85Å; Y113-D115 HydrophobicContact CE1-CB 4.21Å; Y113-D115 WeakPolarHBondContact OH-CB 3.34Å; Y113-D115 PolarHBondContact OH-OD2 2.84Å; D115-S117 PolarHBondContact O-N 3.11Å; D115-S117 WeakPolarHBondContact OD1-CB 3.45Å; D115-S117 PolarHBondContact OD1-N 2.86Å; D115-S117 VanDerWaalsContact OD1-N 3.07Å
116D78Confident74.7Confident134 Ų13498.1 Ų98.172%0.71758%0.584SS**THydrogen-bonded Turntrans-77.80.3176.6-60.7-37.5000112.4E118D116-E118 PolarHBondContact O-N 2.98Å
117S71.2Confident72.9Confident90 Ų9098.8 Ų98.863%0.62959%0.587SS**THydrogen-bonded Turntrans-68.1-19.2-175.3-171.40000113.8D115 G119D115-S117 PolarHBondContact O-N 3.11Å; D115-S117 WeakPolarHBondContact OD1-CB 3.45Å; D115-S117 PolarHBondContact OD1-N 2.86Å; D115-S117 VanDerWaalsContact OD1-N 3.07Å; S117-G119 PolarHBondContact O-N 3.36Å; S117-G119 VanDerWaalsContact O-N 3.16Å
118E56Low70.9Confident131 Ų131106.2 Ų106.261%0.61262%0.615SS**  trans-9060.8171.9-66.5-64.2127.300110.8F97 D116 C120F97-E118 HydrophobicContact CE1-CG 4.44Å; D116-E118 PolarHBondContact O-N 2.98Å; E118-C120 PolarHBondContact O-N 3.34Å
119G55.2Low68.9Low78 Ų78108.5 Ų108.580%0.80462%0.615SS**  trans-65.371.1154.300000110.2S117S117-G119 PolarHBondContact O-N 3.36Å; S117-G119 VanDerWaalsContact O-N 3.16Å
120C42.7Very low66.9Low111 Ų111113.7 Ų113.775%0.7563%0.631SS**  trans-125.682.2171.2-152.50000110.1E118E118-C120 PolarHBondContact O-N 3.34Å
121G46.6Very low64.9Low73 Ų73113.1 Ų113.175%0.75364%0.643SS**  trans81.533.8139.600000119.2P123G121-P123 VanDerWaalsContact O-CD 3.29Å; G121-P123 WeakPolarHBondContact O-CD 3.21Å
122A46.2Very low62.9Low93 Ų93114 Ų11477%0.76965%0.653SS**  trans-79.4112.114900000106.9E124A122-E124 PolarHBondContact O-N 3.12Å; A122-E124 VanDerWaalsContact O-N 3.11Å
123P47Very low60.6Low94 Ų94120.2 Ų120.261%0.6168%0.678SS**  trans-59.1125161.428.2-30.5000105.6G121 L125G121-P123 VanDerWaalsContact O-CD 3.29Å; G121-P123 WeakPolarHBondContact O-CD 3.21Å; P123-L125 HydrophobicContact CB-CB 4.2Å; P123-L125 HydrophobicContact CB-CD1 3.79Å; P123-L125 HydrophobicContact CB-CG 3.98Å; P123-L125 HydrophobicContact CG-CB 4.38Å; P123-L125 HydrophobicContact CG-CD1 4Å; P123-L125 HydrophobicContact CG-CG 4.48Å; P123-L125 PolarHBondContact O-N 3.05Å
124E49.5Very low58.9Low202 Ų202122.7 Ų122.794%0.94469%0.694SS**  trans-55.373.6154.3-173.2-177.4172.700107.7A122A122-E124 PolarHBondContact O-N 3.12Å; A122-E124 VanDerWaalsContact O-N 3.11Å
125L54.6Low57.1Low122 Ų122124.6 Ų124.664%0.63971%0.712SS**  trans-115.9106175.7-93.1169.4000107.8P123P123-L125 HydrophobicContact CB-CB 4.2Å; P123-L125 HydrophobicContact CB-CD1 3.79Å; P123-L125 HydrophobicContact CB-CG 3.98Å; P123-L125 HydrophobicContact CG-CB 4.38Å; P123-L125 HydrophobicContact CG-CD1 4Å; P123-L125 HydrophobicContact CG-CG 4.48Å; P123-L125 PolarHBondContact O-N 3.05Å
126D53.5Low55.2Low92 Ų92128.4 Ų128.449%0.49273%0.732SS.*SBendtrans74.644.7142.1-76.5-35.6000119.2
127K56Low54.2Low215 Ų215125.3 Ų125.394%0.93573%0.725SS**SBendtrans-96.9-5.6154.4-74-174.7-179.4178.60115
128E52.1Low53.6Low179 Ų179129.8 Ų129.884%0.83674%0.736SS**SBendtrans-118.2-2.1-179-155.4163.6-168.600115.4
129I56.6Low53.6Low123 Ų123129.8 Ų129.863%0.63175%0.745SS**SBendtrans-114.513-178.9-39.6-179.4000113.5
130K55.3Low53.2Low193 Ų193135.2 Ų135.284%0.83975%0.746SS**SBendtrans-117.514.5-179.9-128.8173.2-175.21750116.6
131S56.7Low54.1Low112 Ų112135.5 Ų135.578%0.78374%0.744SS**SBendtrans-128.424.1170.679.70000114.5
132S56.4Low54.1Low100 Ų100137.7 Ų137.770%0.69975%0.745SS**  trans-135.621.5178.5-52.30000114.5N134S132-N134 PolarHBondContact O-N 2.9Å
133F49.7Very low54Low189 Ų189141.6 Ų141.683%0.82975%0.751SS**  trans-83.6100.2163.2-105-91.5000108.8P135F133-P135 VanDerWaalsContact O-CD 3.28Å; F133-P135 WeakPolarHBondContact O-CD 3.29Å
134N62.5Low53.9Low101 Ų101139.9 Ų139.954%0.5475%0.751SS.*  trans-67.7111.8166.1-1793.6000108.2S132 D136 A137S132-N134 PolarHBondContact O-N 2.9Å; N134-D136 PolarHBondContact O-N 2.91Å; N134-D136 VanDerWaalsContact O-N 3.14Å; N134-D136 PolarHBondContact OD1-N 2.91Å; N134-A137 PolarHBondContact O-N 3.34Å; N134-A137 VanDerWaalsContact O-N 3.15Å
135P59.8Low53.8Low126 Ų126135.6 Ų135.682%0.81874%0.743SS**THydrogen-bonded Turntrans-66.5-12.8-176.727.8-34.6000113.6F133F133-P135 VanDerWaalsContact O-CD 3.28Å; F133-P135 WeakPolarHBondContact O-CD 3.29Å
136D53.2Low53.1Low139 Ų139138.5 Ų138.574%0.74375%0.754SS**THydrogen-bonded Turntrans-92.62176.4-78.5-43000114.1N134 Q138N134-D136 PolarHBondContact O-N 2.91Å; N134-D136 VanDerWaalsContact O-N 3.14Å; N134-D136 PolarHBondContact OD1-N 2.91Å; D136-Q138 PolarHBondContact O-N 3.45Å
137A58.4Low52.3Low68 Ų68140 Ų14056%0.56276%0.762SS**  trans-72.491.9174.500000110.1N134 V139N134-A137 PolarHBondContact O-N 3.34Å; N134-A137 VanDerWaalsContact O-N 3.15Å; A137-V139 PolarHBondContact O-N 3.07Å
138Q56.8Low51.4Low185 Ų185134 Ų13486%0.86475%0.747SS**  trans-61117.1167.5-67.1-160.5-3.400109.4D136 F140D136-Q138 PolarHBondContact O-N 3.45Å; Q138-F140 PolarHBondContact O-N 3.07Å
139V56.4Low51.1Low131 Ų131130.4 Ų130.479%0.79474%0.741SS**  trans-58.7119.8175.31730000108.9A137 V141A137-V139 PolarHBondContact O-N 3.07Å; V139-V141 PolarHBondContact O-N 2.82Å; V139-V141 VanDerWaalsContact O-N 3.12Å
140F47.5Very low50.5Low191 Ų191132.8 Ų132.884%0.83876%0.755SS**  trans-60.3113.3173.1-117.3-101.9000109.3Q138Q138-F140 PolarHBondContact O-N 3.07Å
141V60.5Low50.1Low117 Ų117128.4 Ų128.471%0.70975%0.748SS**  trans-77.9133.8172.9-166.60000108.1V139 I143V139-V141 PolarHBondContact O-N 2.82Å; V139-V141 VanDerWaalsContact O-N 3.12Å; V141-I143 PolarHBondContact O-N 3.21Å
142P47.7Very low49.2Very low120 Ų120130.5 Ų130.578%0.77975%0.75SS**  trans-58.6128.4175.5-22.832.9000111.1G144P142-G144 PolarHBondContact O-N 2.83Å
143I44.4Very low48.4Very low174 Ų174131.3 Ų131.389%0.89276%0.756SS**  trans-62.8103.8-178.9-63169.1000109.3V141V141-I143 PolarHBondContact O-N 3.21Å
144G44.5Very low48.6Very low59 Ų59127.9 Ų127.961%0.60875%0.753SS**  trans-124.4103165.500000109.9P142P142-G144 PolarHBondContact O-N 2.83Å
145S47.3Very low47.8Very low111 Ų111128.7 Ų128.778%0.77677%0.766SS**  trans64.8130.5153.743.20000121
146Q39.1Very low47.3Very low184 Ų184129 Ų12986%0.8677%0.768SS**  trans74.5147.7165-58.4-167.67.900116.6
147D37.5Very low46.8Very low124 Ų124127.1 Ų127.166%0.66377%0.766SS**  cis-161177.9-25.567.114000105.6
148S38.1Very low46.1Very low88 Ų88132.6 Ų132.662%0.61578%0.778SS**  trans66.3102.8157.1-45.10000121
149S45.6Very low45.1Very low103 Ų103127.5 Ų127.572%0.7278%0.775SS**  trans37.5122.913261.50000119.9
150L43.6Very low44.5Very low174 Ų174129.8 Ų129.891%0.91178%0.777SS**  -174.8134.6100.4-89.2171.7000110.9
151S45.6Very low44.1Very low101 Ų101125.8 Ų125.871%0.70677%0.773SS**  trans-68.8134.9174.9173.10000111.6
152N38Very low43.6Very low155 Ų155126.3 Ų126.383%0.82978%0.778SS**  172.8118.1125.6-90.1-5.2000110.8
153S40.8Very low43.4Very low118 Ų118125.6 Ų125.683%0.82578%0.776SS**  trans-137.1125.4165.2-156.50000108.6
154P52.6Low43.6Very low117 Ų117123.3 Ų123.376%0.7677%0.773SS**  trans-87.4138.1170.333.4-27.5000109.7
155S46.1Very low43.9Very low117 Ų117126.7 Ų126.782%0.81878%0.782SS**  trans-69.8158.6170.1-47.10000111.3
156P50Low43.8Very low132 Ų132130.6 Ų130.686%0.85779%0.785SS**  trans-125.7153.8134.734.7-24.7000112.4
157S42.3Very low44.8Very low100 Ų100128.4 Ų128.470%0.69978%0.778SS**  trans-112.7144.4-172.1-123.20000109.7
158F43.3Very low45.3Very low184 Ų184128 Ų12881%0.80778%0.782SS**  trans67.4123.5158-75-87.7000121.5
159G36.4Very low45.7Very low78 Ų78135 Ų13580%0.80480%0.795SS**  trans-17098.6156.300000110.5
160Q42.7Very low45.8Very low179 Ų179134.8 Ų134.884%0.83679%0.793SS**  trans-74.4134.8179.7-66.4169.2-3.700111.2
161S39.7Very low46.3Very low107 Ų107131.3 Ų131.375%0.74879%0.789SS**  trans-154.3130155.1-176.20000109.7
162P49.8Very low46.9Very low128 Ų128133.9 Ų133.983%0.83179%0.79SS**PPolyproline II helixtrans-82.4122.2-175.431.8-30.6000111.3
163S44.3Very low47.6Very low105 Ų105131.5 Ų131.573%0.73478%0.783SS**PPolyproline II helixtrans-80145.9165.7-28.10000109.8T165S163-T165 PolarHBondContact O-N 3.37Å
164P49.1Very low48.7Very low126 Ų126132.8 Ų132.882%0.81878%0.779SS**PPolyproline II helixtrans-74.7130.3179.830.3-31.4000110.9F166P164-F166 PolarHBondContact O-N 3.12Å
165T49.1Very low49Very low130 Ų130132.3 Ų132.380%0.79878%0.775SS**PPolyproline II helixtrans-59.5117.1172.9-55.90000110.8S163 I167S163-T165 PolarHBondContact O-N 3.37Å; T165-I167 PolarHBondContact O-N 2.91Å
166F46.6Very low49.8Very low192 Ų192136 Ų13684%0.84278%0.776SS**  trans-74.9108.2170.4-156.7-96.6000108.7P164 P168P164-F166 PolarHBondContact O-N 3.12Å; F166-P168 WeakPolarHBondContact O-CD 3.46Å
167I60.6Low50.8Low139 Ų139133.3 Ų133.371%0.71376%0.758SS**  trans-81.9121174.4-58.2171.1000107.8T165 R169T165-I167 PolarHBondContact O-N 2.91Å; I167-R169 PolarHBondContact O-N 2.79Å; I167-R169 VanDerWaalsContact O-N 3.12Å
168P46.2Very low51.8Low114 Ų114134.6 Ų134.674%0.7476%0.761SS**  trans-69.9110.9171.527.6-30.8000109.1F166 S170F166-P168 WeakPolarHBondContact O-CD 3.46Å; P168-S170 PolarHBondContact O-N 3.01Å
169R46.7Very low52.6Low237 Ų237129.6 Ų129.689%0.89475%0.754SS**  trans-69122.3173.5-166.4175-163.7168.94.1108.6I167 A171I167-R169 PolarHBondContact O-N 2.79Å; I167-R169 VanDerWaalsContact O-N 3.12Å; R169-A171 PolarHBondContact O-N 3.12Å
170S47.5Very low53.9Low97 Ų97129.9 Ų129.968%0.67874%0.743SS**  trans-63.2121.3171.250.60000109.6P168 Q172P168-S170 PolarHBondContact O-N 3.01Å; S170-Q172 PolarHBondContact O-N 3.27Å
171A55.5Low54.9Low101 Ų101129.3 Ų129.384%0.83574%0.738SS**  trans-74.5102.1172.800000108.8R169R169-A171 PolarHBondContact O-N 3.12Å
172Q56.8Low55.9Low155 Ų155128.3 Ų128.372%0.72474%0.737SS**  trans-91.5133.8162-66.9-66.8-25.600108.2S170 I174S170-Q172 PolarHBondContact O-N 3.27Å; Q172-I174 PolarHBondContact O-N 2.87Å
173P53Low56.2Low105 Ų105126.3 Ų126.368%0.68273%0.731SS**  trans-66.3127.3-179.325.6-32000110.9T175P173-T175 PolarHBondContact O-N 2.65Å; P173-T175 VanDerWaalsContact O-N 3.1Å; P173-T175 PolarHBondContact O-OG1 2.8Å
174I63.5Low57Low145 Ų145125.5 Ų125.574%0.74472%0.722SS**  trans-69.5105.9176.6-56.6174.7000107.9Q172 F176Q172-I174 PolarHBondContact O-N 2.87Å; I174-F176 HydrophobicContact CG2-CE2 4.41Å; I174-F176 HydrophobicContact CG2-CZ 4.4Å
175T59.4Low57.3Low108 Ų108129 Ų12966%0.66372%0.724SS**  trans-91.8116.3177.4-500000109.1P173 T177P173-T175 PolarHBondContact O-N 2.65Å; P173-T175 VanDerWaalsContact O-N 3.1Å; P173-T175 PolarHBondContact O-OG1 2.8Å; T175-T177 HydrophobicContact CG2-CG2 4.14Å; T175-T177 PolarHBondContact O-N 3.18Å; T175-T177 VanDerWaalsContact O-N 3.14Å
176F64.1Low57.5Low193 Ų193133 Ų13385%0.84673%0.731SS**  trans-77.395.3175.6-66.8-88.3000110.2I174I174-F176 HydrophobicContact CG2-CE2 4.41Å; I174-F176 HydrophobicContact CG2-CZ 4.4Å
177T69.9Low57.7Low77 Ų77127.5 Ų127.547%0.47273%0.728SS.*  trans-95.1142.8173.259.90000111T175 A179 S180T175-T177 HydrophobicContact CG2-CG2 4.14Å; T175-T177 PolarHBondContact O-N 3.18Å; T175-T177 VanDerWaalsContact O-N 3.14Å; T177-A179 PolarHBondContact O-N 3.48Å; T177-A179 VanDerWaalsContact O-N 3.12Å; T177-S180 WeakPolarHBondContact O-CB 3.28Å; T177-S180 PolarHBondContact O-N 3.1Å
178T62.8Low57.1Low127 Ų127126.1 Ų126.178%0.77973%0.731SS**Hα-helixtrans-55.7-29178-49.50000112.8S180 F181 A182T178-S180 VanDerWaalsContact C-N 3.28Å; T178-S180 PolarHBondContact O-N 2.79Å; T178-F181 PolarHBondContact O-N 2.97Å; T178-A182 PolarHBondContact O-N 3.11Å
179A60.1Low57.3Low79 Ų79127.7 Ų127.765%0.65374%0.739SS**Hα-helixtrans-62.3-32.9174.700000112.9T177 F181T177-A179 PolarHBondContact O-N 3.48Å; T177-A179 VanDerWaalsContact O-N 3.12Å; A179-F181 VanDerWaalsContact C-N 3.35Å
180S65.3Low57.5Low83 Ų83125.8 Ų125.858%0.5874%0.737SS**Hα-helixtrans-73.1-25.8178.2-1640000113.1T177 T178T177-S180 WeakPolarHBondContact O-CB 3.28Å; T177-S180 PolarHBondContact O-N 3.1Å; T178-S180 VanDerWaalsContact C-N 3.28Å; T178-S180 PolarHBondContact O-N 2.79Å
181F64.1Low57.7Low167 Ų167130 Ų13073%0.73275%0.748SS**Hα-helixtrans-75.5-38.7177.5-173.6-101.1000111.7T178 A179 A183 T184T178-F181 PolarHBondContact O-N 2.97Å; A179-F181 VanDerWaalsContact C-N 3.35Å; F181-A183 PolarHBondContact O-N 3.37Å; F181-T184 PolarHBondContact O-N 3.16Å; F181-T184 PolarHBondContact O-OG1 3.27Å
182A59.1Low57.2Low87 Ų87134.9 Ų134.972%0.71975%0.751SS**Hα-helixtrans-68.2-18.4-179.600000114.3T178 T184T178-A182 PolarHBondContact O-N 3.11Å; A182-T184 PolarHBondContact O-N 3.2Å
183A57.3Low56.4Low85 Ų85137.3 Ų137.370%0.70276%0.759SS**THydrogen-bonded Turntrans-77.3-5.8177.400000113.8F181 K185F181-A183 PolarHBondContact O-N 3.37Å; A183-K185 PolarHBondContact O-N 3.33Å
184T59.7Low55.7Low89 Ų89135.5 Ų135.555%0.54676%0.759SS.*SBendtrans-81.1116.6178.658.50000111.4F181 A182 F186F181-T184 PolarHBondContact O-N 3.16Å; F181-T184 PolarHBondContact O-OG1 3.27Å; A182-T184 PolarHBondContact O-N 3.2Å; T184-F186 PolarHBondContact O-N 2.84Å
185K56.4Low54.5Low200 Ų200132.8 Ų132.887%0.8777%0.767SS**THydrogen-bonded Turntrans-7142.9-174.4-163.3-158.2178.7-165.60114A183A183-K185 PolarHBondContact O-N 3.33Å
186F52.8Low53.6Low213 Ų213131.3 Ų131.393%0.93477%0.773SS**THydrogen-bonded Turntrans-145.69.2170.9-111.3-83.7000115T184T184-F186 PolarHBondContact O-N 2.84Å
187G50.8Low52.2Low76 Ų76127.5 Ų127.578%0.78478%0.777SS**  trans-100.677.2174.300000113.3
188S48.1Very low50.7Low111 Ų111128.8 Ų128.878%0.77680%0.795SS**  trans-130.6100.4166.7-169.10000110.1K190S188-K190 PolarHBondContact O-N 3.27Å
189T51.4Low49.5Very low146 Ų146128.6 Ų128.690%0.89680%0.8SS**  trans-85.2100.5168.345.30000108.7
190K49.6Very low48.2Very low197 Ų197129 Ų12986%0.85781%0.811SS**  trans-91.8120.3170.1-162.4177.6-176.2179.20109.2S188 K192S188-K190 PolarHBondContact O-N 3.27Å; K190-K192 PolarHBondContact O-N 3.11Å
191M51.3Low46.7Very low185 Ų185129.1 Ų129.191%0.91183%0.826SS**  trans-66.8124.8174.6-67.1175.868.200110.7K193M191-K193 PolarHBondContact O-N 3.41Å
192K44.9Very low45.2Very low205 Ų205125.2 Ų125.289%0.89183%0.832SS**  trans-81.9101.8172.4-177.3168.4178.2175.90108.7K190 G194K190-K192 PolarHBondContact O-N 3.11Å; K192-G194 PolarHBondContact O-N 3.12Å
193K41.7Very low44.1Very low206 Ų206127.9 Ų127.990%0.89684%0.839SS**  trans-69.4107.2167.6-169.4170.9-177.1175.30107.8M191 G195M191-K193 PolarHBondContact O-N 3.41Å; K193-G195 PolarHBondContact O-N 3.32Å
194G37.6Very low43.2Very low67 Ų67128.6 Ų128.669%0.69185%0.845SS**  trans-64.7123.917600000110.8K192K192-G194 PolarHBondContact O-N 3.12Å
195G39.2Very low42Very low88 Ų88129.4 Ų129.491%0.90785%0.854SS**  trans-82.7113.5162.400000108.7K193K193-G195 PolarHBondContact O-N 3.32Å
196G38.8Very low41.1Very low77 Ų77125.2 Ų125.279%0.79485%0.85SS**  trans-118.8103167.400000108.3
197A35.5Very low40.2Very low112 Ų112118.8 Ų118.893%0.92684%0.844SS**  trans-77.6119.5164.700000107.7
198A38.1Very low39.5Very low104 Ų104120.5 Ų120.586%0.8685%0.851SS**  trans-119.6114.8162.700000107.3
199S37.5Very low38.8Very low124 Ų124119.4 Ų119.487%0.86786%0.857SS**  trans-81.8131.1171.750.80000110.6
200G33.7Very low38Very low86 Ų86115.9 Ų115.989%0.88785%0.85SS**  trans89.6118.5134.500000118.9
201G34.3Very low37.5Very low87 Ų87116.5 Ų116.590%0.89786%0.856SS**  trans13692.214800000114.7
202G31.9Very low36.7Very low84 Ų84116.2 Ų116.287%0.86685%0.853SS**  trans-172.8111.3170.100000113.2
203V35.8Very low37.7Very low144 Ų144111.2 Ų111.287%0.87384%0.841SS**  trans-86.6148.7-176.9-85.80000113.2
204A37.6Very low38.8Very low100 Ų100106.2 Ų106.283%0.82683%0.829SS**  trans47.5125.5147.500000122.3
205S35.8Very low39Very low105 Ų105111.4 Ų111.473%0.73484%0.836SS**  154.8128.1101.8-164.10000114.5
206S37Very low39.2Very low112 Ų112116 Ų11678%0.78383%0.834SS**  trans41.1133.3141.465.50000123.9
207G33.5Very low40.1Very low78 Ų78116.8 Ų116.880%0.80483%0.825SS**  trans155.589.6144.200000119.7
208A35.9Very low40.3Very low112 Ų112122 Ų12293%0.92682%0.82SS**  trans24.9141.6145.300000126.3
209G34.1Very low40.4Very low88 Ų88124.2 Ų124.291%0.90782%0.815SS**  trans102.7132.5151.700000114.7
210G35.3Very low40.2Very low73 Ų73122.2 Ų122.275%0.75381%0.806SS**  cis150.6131.37.800000108.1
211Q37.5Very low40.4Very low209 Ų209129.2 Ų129.298%0.97781%0.806SS**  trans89.3139.9170.3-60.8-179.323.700120.8
212Q36Very low40.7Very low180 Ų180130.2 Ų130.284%0.84180%0.799SS**  trans-136.9179.3-174.5-130-167.9-8.400106.1
213P64.9Low41.7Very low100 Ų100132 Ų13265%0.64980%0.795SS**  cis-141.2-145.4-14.343.4-21.4000110.9
214P65.8Low42.3Very low100 Ų100131.3 Ų131.365%0.64979%0.791SS**  cis-140.9178.5-14.534.9-12000118.6
215Q40.1Very low42.3Very low177 Ų177134.3 Ų134.383%0.82779%0.794SS**  trans89.7102.2153.4-47.7-169.9-8.300119.4
216Q44.5Very low42.4Very low184 Ų184133.6 Ų133.686%0.8679%0.789SS**  82.6153.972-83.3-159.212.100116.1
217P57.4Low42.4Very low94 Ų94135.2 Ų135.261%0.6179%0.788SS**  cis-145.4-175.3-33.541.2-22.3000116
218R39.8Very low42.9Very low220 Ų220139.2 Ų139.283%0.8379%0.79SS**  trans82.1143.3148.5-84.6-170.1176.5171.21119
219M40.1Very low43.3Very low151 Ų151142.4 Ų142.474%0.74478%0.783SS**  cis-153.9158.13.6-67.5-145.8-129.700111.2
220A34Very low43.8Very low83 Ų83147.4 Ų147.469%0.68678%0.782SS**  47.9149.6128.700000120.6
221R36.9Very low44Very low233 Ų233153.9 Ų153.988%0.87979%0.79SS**  cis-177143.3-1.1-108.3167.4141.6174.6-7.4103.3
222S40.9Very low44.1Very low108 Ų108149.7 Ų149.776%0.75578%0.783SS**  trans-56.5156.8157.144.20000111.3
223P53.6Low44.4Very low121 Ų121149.1 Ų149.179%0.78679%0.785SS**  -134.6135.8121.332.1-18.7000113.2
224T47.1Very low43.4Very low129 Ų129149.6 Ų149.679%0.79179%0.791SS**  trans-52.9139153.848.50000110.8
225N38.2Very low42.1Very low164 Ų164153.2 Ų153.288%0.87780%0.804SS**  trans-153143.6145.8-124.7-36.1000112.9
226S37.5Very low42.1Very low90 Ų90148 Ų14863%0.62979%0.787SS**  trans-91.3165.3-169.277.30000113
227L38.2Very low42.1Very low145 Ų145148 Ų14876%0.75979%0.789SS**  trans63.6121.8157.5-100.272.6000117.1
228L44.3Very low41.4Very low162 Ų162150.9 Ų150.985%0.84879%0.794SS**  -171.7145.3106.6-91.8162.3000111.3
229K42.6Very low41.2Very low179 Ų179146 Ų14678%0.77879%0.793SS**  trans-65.6134.8-172.8-63.1153.7172.5172.20112
230H44.4Very low41.4Very low193 Ų193147.3 Ų147.389%0.89480%0.802SS**  trans-142.7122.1146.4-83.2-76.5000111.4
231K40.6Very low41.6Very low210 Ų210150.7 Ų150.791%0.91381%0.809SS**  trans-65.3137.6172.4-65.6170172.91790109.2
232S38.7Very low41.4Very low120 Ų120148.7 Ų148.784%0.83981%0.807SS**  trans-137.8144.4149.6620000109.1
233L43Very low41.2Very low168 Ų168149 Ų14988%0.8880%0.799SS**  trans-82.4131.7-152.5-67.9149.3000111.4
234S43.2Very low40.2Very low110 Ų110149.3 Ų149.377%0.76980%0.799SS**  trans-76.6126.5165178.20000109.2
235L39.4Very low39.8Very low177 Ų177148 Ų14893%0.92780%0.801SS**  trans-104.992.5165.8-73173.7000108.4
236S39.2Very low39.9Very low67 Ų67147.8 Ų147.847%0.46980%0.8SS.*  trans-110.4114.91631780000107.6H238S236-H238 PolarHBondContact O-ND1 2.7Å; S236-H238 PolarHBondContact OG-CE1 3.27Å; S236-H238 VanDerWaalsContact OG-CE1 3.29Å; S236-H238 PolarHBondContact OG-NE2 3.5Å
237M45.1Very low40.6Very low185 Ų185149 Ų14991%0.91181%0.806SS**  trans-92.4113.9166.5-79.4-70.4-78.200107.9
238H43.5Very low40.5Very low154 Ų154146.6 Ų146.671%0.71381%0.807SS**PPolyproline II helixtrans-85.3140.5-179.4-60.584.7000110.6S236S236-H238 PolarHBondContact O-ND1 2.7Å; S236-H238 PolarHBondContact OG-CE1 3.27Å; S236-H238 VanDerWaalsContact OG-CE1 3.29Å; S236-H238 PolarHBondContact OG-NE2 3.5Å
239S35.9Very low40.8Very low116 Ų116144.8 Ų144.881%0.81181%0.805SS**PPolyproline II helixtrans-60.6140.2160.5-430000110.3
240L43.8Very low40.6Very low179 Ų179144.9 Ų144.994%0.93781%0.808SS**PPolyproline II helixtrans-84.8129.1174.6-76.8168.2000110.8
241N38.3Very low40.2Very low155 Ų155141.9 Ų141.983%0.82981%0.809SS**  trans-112.8142171.7-111.943.7000109.3
242F32.8Very low40.3Very low190 Ų190140.2 Ų140.283%0.83380%0.804SS**  trans-167.9132.1159-132-127.8000106.1
243I35.3Very low40.3Very low114 Ų114142.2 Ų142.259%0.58581%0.805SS**  cis-159.7148.32.9-39.6165.3000109
244T34Very low40.2Very low128 Ų128139.1 Ų139.179%0.78580%0.797SS**  trans35123150.166.90000123.2
245A37.9Very low40.5Very low101 Ų101139.4 Ų139.484%0.83580%0.797SS**  -174135.410000000110.8
246N40.8Very low40.4Very low160 Ų160137.5 Ų137.586%0.85679%0.787SS**  trans-75.9176.1171.4-103-1.4000111.5
247P52.3Low40.5Very low117 Ų117139.2 Ų139.276%0.7681%0.805SS**  cis-129.2179.4-2231-9.7000113.2
248A36.2Very low40.5Very low93 Ų93138.7 Ų138.777%0.76980%0.798SS**  trans-59.9173.1177.400000114.4
249P49.5Very low40.2Very low125 Ų125139.9 Ų139.981%0.81280%0.804SS**  -144.7179.165.935.6-13.3000116.6
250Q38.8Very low40.3Very low181 Ų181144.3 Ų144.385%0.84681%0.809SS**  trans-58146.4-176.5-59.3165.5-50.600114.7
251S36.8Very low40.1Very low130 Ų130141.8 Ų141.891%0.90980%0.8SS**  trans-120.7106.7155.2-840000109.9
252Q41.8Very low39.9Very low174 Ų174145.2 Ų145.281%0.81380%0.803SS**  trans-95.1166.2153.7-80.7-175.8-33.200108.8
253L38Very low40.1Very low162 Ų162143.4 Ų143.485%0.84880%0.802SS**  trans92.7124.9172.9-50.2177.8000113.3
254S41.3Very low39.9Very low104 Ų104141.5 Ų141.573%0.72781%0.811SS**  cis-158.616317.4-98.40000113.1
255P50.1Low39.8Very low116 Ų116139.4 Ų139.475%0.75382%0.815SS**  trans-93.5117.8176.534.8-25.9000111.2
256N36.3Very low39.6Very low137 Ų137138.2 Ų138.273%0.73381%0.813SS**  trans-170.7110.9160.4-145.1-30.5000111.8
257A42.8Very low39.9Very low102 Ų102135.9 Ų135.984%0.84381%0.809SS**  trans-154.2119.7140.700000108.1
258K43.6Very low39.7Very low175 Ų175136 Ų13676%0.76181%0.809SS**  trans-71.7150-169.6-75.2167.9170.3177.40113.1
259E38.5Very low39.6Very low179 Ų179136.6 Ų136.684%0.83681%0.808SS**  trans-37.7139.1156.4-60.4168.4163.900113.2
260F38Very low39.4Very low208 Ų208138.9 Ų138.991%0.91281%0.812SS**  trans-129105.3149.6-86.4-84.9000108.4
261V38.9Very low39.4Very low126 Ų126139.4 Ų139.476%0.76481%0.812SS**  trans-90.7126.9153.2172.10000106.1
262Y35.3Very low39.3Very low228 Ų228143.2 Ų143.289%0.89481%0.813SS**  trans-153.2146.5139.7-134.6-94.6000112.2
263N35.6Very low38.8Very low151 Ų151141.8 Ų141.881%0.80781%0.811SS**  trans-95159.2-171.8-155.338.9000110.2
264G32Very low38.6Very low75 Ų75138.2 Ų138.277%0.77380%0.804SS**  trans106.3124.6169.400000112
265G32.3Very low38.4Very low84 Ų84138.2 Ų138.287%0.86681%0.811SS**  cis118.5125.132.400000106.9
266G32.4Very low37.8Very low76 Ų76141.1 Ų141.178%0.78482%0.82SS**  trans107.4111.3165.800000116
267S46.8Very low37.6Very low111 Ų111138.1 Ų138.178%0.77682%0.822SS**  trans-42.2159.3157.647.90000115.3
268P48.4Very low37.3Very low119 Ų119143 Ų14377%0.77383%0.827SS**  trans-119.3113.7146.631.6-17.3000111.3
269S34.4Very low36.8Very low105 Ų105138.3 Ų138.373%0.73483%0.829SS**PPolyproline II helixtrans-72.7126.2156.739.90000109.4
270L45.3Very low36.6Very low173 Ų173136 Ų13691%0.90683%0.832SS**PPolyproline II helixtrans-80.9125.4177.7-65.8169.3000110.5
271F39Very low36.4Very low193 Ų193129.9 Ų129.985%0.84683%0.827SS**PPolyproline II helixtrans-89.3132.6156-88.2-96.2000108.4
272F33.9Very low36.1Very low210 Ų210129.3 Ų129.392%0.92184%0.836SS**  -162.7150.1120.2-131.2-94.4000112.2
273D31.2Very low35.9Very low144 Ų144122 Ų12277%0.7783%0.829SS**  trans-89.8170.8-165.9-173.8-122000113
274A34.5Very low35.8Very low86 Ų86121.5 Ų121.571%0.71183%0.832SS**  trans-59157.3-16800000118.5
275A36.2Very low35.8Very low104 Ų104123.3 Ų123.386%0.8683%0.832SS**  trans-163.7134.1141.500000112.4
276D38.5Very low35.7Very low178 Ų178126.6 Ų126.695%0.95283%0.83SS**  trans-57.7157174.1-89.9-59.7000115.6
277G32.7Very low35.7Very low74 Ų74127.5 Ų127.576%0.76382%0.824SS**  trans162.382.7160.800000118.1
278Q36.6Very low35.1Very low203 Ų203127.1 Ų127.195%0.94982%0.821SS**  trans4.4129.1147.5-157.8123.154.700120.2
279G31.8Very low34.3Very low78 Ų78126.1 Ų126.180%0.80482%0.817SS**  trans178.2110.8162.700000115.6
280S35.8Very low34.2Very low131 Ų131131 Ų13192%0.91683%0.825SS**  trans-61.6152-177.9-40.60000115.6
281G32.7Very low33.6Very low78 Ų78130.5 Ų130.580%0.80482%0.824SS**  trans173.611316300000114
282A32.2Very low33.3Very low115 Ų115129 Ų12995%0.9582%0.821SS**  trans-73156.7-172.300000115.2
283G32.6Very low33.3Very low73 Ų73122.7 Ų122.775%0.75381%0.808SS**  trans172.989.1166.100000114
284T32.8Very low33.6Very low141 Ų141123.9 Ų123.987%0.86581%0.809SS**  trans-21.3149.1156.2-4.20000115.3
285C31.3Very low33.4Very low113 Ų113126.8 Ų126.876%0.76482%0.818SS**  cis-166.9148.426.737.60000112
286N31.3Very low33.3Very low154 Ų154131 Ų13182%0.82482%0.817SS**  trans-6.9152.9145.2-79.2-0000118.3
287S31.8Very low32.9Very low94 Ų94126.1 Ų126.166%0.65781%0.808SS**  cis-175.7157.3-3-71.20000103.1
288S34.6Very low32.8Very low104 Ų104126.8 Ų126.873%0.72782%0.815SS**  cis-174.4142.332.9-2.40000108.8
289S32.2Very low32.4Very low97 Ų97121.2 Ų121.268%0.67881%0.812SS**  trans30.7141.3136.4-510000120.2
290F31.9Very low32.8Very low207 Ų207121.8 Ų121.891%0.90881%0.809SS**  -149.513464.1-25.2-86.6000113.3
291D31.6Very low32.9Very low164 Ų164123.5 Ų123.588%0.87781%0.808SS**  trans-144.1159.2155.8-142.1-34.8000110.7
292M33Very low32.9Very low160 Ų160124.6 Ų124.679%0.78880%0.804SS**  trans-40.5142.5-178.7-169.986.9-66.900118.7
293A35.2Very low33.2Very low78 Ų78127.1 Ų127.165%0.64580%0.8SS**  158.4136.5113.400000116.4
294Q35.6Very low33.5Very low169 Ų169133.7 Ų133.779%0.7981%0.808SS**  trans57.4128.2135.1-65.6-119-55.800122.7
295V30.2Very low33.7Very low148 Ų148133.3 Ų133.390%0.89780%0.801SS**  trans-142.7145.1143.988.50000111.4
296F35.8Very low33.7Very low193 Ų193135.3 Ų135.385%0.84680%0.798SS**  trans-88.4165.5-169-115.8-100.5000114.5
297G29.5Very low33.8Very low75 Ų75135.7 Ų135.777%0.77379%0.793SS**  trans129.3124.1157.600000111.7
298G29.5Very low34.2Very low87 Ų87137.2 Ų137.290%0.89780%0.798SS**  cis136.3127.219.900000106.7
299G29.9Very low35Very low86 Ų86137.6 Ų137.689%0.88780%0.798SS**  trans160.7105.7174.500000115.1
300A39.8Very low35.2Very low91 Ų91142.7 Ų142.775%0.75281%0.809SS**  trans-72.3153.8179.800000114
301N36.7Very low35.6Very low167 Ų167138 Ų13889%0.89380%0.797SS**  trans-159.7144138.8-90.1-47.8000112.1
302S33.8Very low35.8Very low101 Ų101138.8 Ų138.871%0.70680%0.795SS**  trans-36.8136.1-175.454.90000118.5
303L38.3Very low35.9Very low168 Ų168134 Ų13488%0.8879%0.787SS**  55.6100.885.3-82.7171.3000115.5
304F38.7Very low36.1Very low210 Ų210137.3 Ų137.392%0.92179%0.793SS**  trans-154.2152.9130.8-153-100.9000111.3
305L37Very low36.3Very low134 Ų134134.7 Ų134.770%0.70279%0.794SS**  trans-104.8140.2-156.1-172.477.5000110.7
306E32.2Very low36.9Very low154 Ų154137.7 Ų137.772%0.7279%0.79SS**  trans166.2104.6134.3-94.3-83.3112.200113.9
307K33.6Very low37.1Very low163 Ų163134.8 Ų134.871%0.70978%0.784SS**  38100.4119.9-126.2175178.4177.10123
308T40.2Very low38Very low125 Ų125139.4 Ų139.477%0.76779%0.79SS**  64173128.1720000120.8
309P50.9Low38.7Very low113 Ų113142.1 Ų142.173%0.73478%0.783SS**  -122.1160.6-103.926.8-2.8000113.4
310F35.4Very low39.6Very low203 Ų203143.4 Ų143.489%0.8978%0.775SS**  trans-118.2114.8164.1-155.3-97.9000109.6
311V41.5Very low40Very low110 Ų110147.1 Ų147.167%0.66778%0.778SS**  trans-84.8166.1169.5157.80000108.5
312E35Very low40.2Very low180 Ų180147.4 Ų147.484%0.84177%0.774SS**  trans90.4125.4162.1-111.8160.3-171.100115.6
313G34.3Very low40.9Very low60 Ų60152 Ų15262%0.61978%0.778SS**  cis171.1132.6200000108.6
314L39.6Very low41.6Very low147 Ų147149.5 Ų149.577%0.7777%0.771SS**  trans-144.779.8161.8-72.9-178.2000108.5Y316L314-Y316 HydrophobicContact CB-CE1 4.1Å
315S40.5Very low41.9Very low114 Ų114145.1 Ų145.180%0.79777%0.766SS**  trans-81106.9163.452.70000108.8N317S315-N317 PolarHBondContact O-N 3.3Å
316Y41.9Very low42.8Very low210 Ų210146.9 Ų146.982%0.82477%0.771SS**  trans-75.2104.5171.3-15.7-84.1000108.5L314L314-Y316 HydrophobicContact CB-CE1 4.1Å
317N40.3Very low43.9Very low133 Ų133145.1 Ų145.171%0.71177%0.773SS**  trans-84109.6173.5-169.2-72.4000109.2S315 N319S315-N317 PolarHBondContact O-N 3.3Å; N317-N319 VanDerWaalsContact C-N 3.35Å; N317-N319 PolarHBondContact O-N 3.15Å; N317-N319 PolarHBondContact OD1-N 3.18Å
318L48.2Very low44.6Very low172 Ų172147.3 Ų147.390%0.90178%0.783SS**  trans-9254-179.7-162.782.5000111.3
319N45.8Very low45.4Very low143 Ų143149.6 Ų149.677%0.76579%0.785SS**  trans-142.132.5-178.1-108.6-16.6000115.4N317N317-N319 VanDerWaalsContact C-N 3.35Å; N317-N319 PolarHBondContact O-N 3.15Å; N317-N319 PolarHBondContact OD1-N 3.18Å
320T48.3Very low45.8Very low114 Ų114149.8 Ų149.870%0.69979%0.786SS**  trans-148.568.3168.2-380000112
321M46.9Very low47Very low168 Ų168146.6 Ų146.683%0.82878%0.783SS**  trans-105.673.3160.3-79.7-82.8-78.400107.9Y323M321-Y323 PolarHBondContact O-N 3.14Å
322Q41.9Very low47.9Very low173 Ų173147.7 Ų147.781%0.80879%0.79SS**  trans-81.2103.7173.1-169161.3-0.200108.1
323Y47.6Very low48.7Very low199 Ų199146.8 Ų146.878%0.7879%0.79SS**  trans-60.8136.8173.7-83.2-94.3000110.5M321 S325M321-Y323 PolarHBondContact O-N 3.14Å; Y323-S325 PolarHBondContact O-N 3.24Å
324P52.8Low49.7Very low114 Ų114148.4 Ų148.474%0.7480%0.798SS**  trans-70.2121.7168.426.8-30000109.6Q326P324-Q326 PolarHBondContact O-N 3.12Å; P324-Q326 VanDerWaalsContact O-N 3.12Å
325S46.2Very low50.4Low118 Ų118152.9 Ų152.983%0.82582%0.822SS**  trans-66.3102.8172.246.60000110.5Y323Y323-S325 PolarHBondContact O-N 3.24Å
326Q55.4Low50.8Low172 Ų172154.9 Ų154.980%0.80482%0.824SS**PPolyproline II helixtrans-81.6128.4163.4-78.5-140.2-14.400110.3P324P324-Q326 PolarHBondContact O-N 3.12Å; P324-Q326 VanDerWaalsContact O-N 3.12Å
327P56.3Low51.3Low117 Ų117151.9 Ų151.976%0.7682%0.824SS**PPolyproline II helixtrans-73.8127.9168.228.5-30.5000110.5
328F48.3Very low51.9Low208 Ų208153 Ų15391%0.91283%0.83SS**PPolyproline II helixtrans-60130.4172.4-86.3-96.2000111.1
329Q56.6Low52.1Low174 Ų174151.9 Ų151.981%0.81383%0.826SS**PPolyproline II helixtrans-89.5134.3165.1-65.4-143.6-11.500110.4V331Q329-V331 PolarHBondContact O-N 3.23Å
330P59.8Low52.5Low117 Ų117152.4 Ų152.476%0.7683%0.829SS**PPolyproline II helixtrans-73.3123.8174.528.1-31.3000110.7V332P330-V332 PolarHBondContact O-N 2.91Å
331V59.3Low52.8Low135 Ų135155 Ų15582%0.81884%0.838SS**PPolyproline II helixtrans-70.1119.3171.8176.80000108.7Q329 L333Q329-V331 PolarHBondContact O-N 3.23Å; V331-L333 PolarHBondContact O-N 3.31Å
332V60.7Low53.3Low133 Ų133154.1 Ų154.181%0.80684%0.839SS**PPolyproline II helixtrans-77.3117.1172.7-1690000108P330 A334P330-V332 PolarHBondContact O-N 2.91Å; V332-A334 PolarHBondContact O-N 2.97Å
333L52.5Low54.1Low161 Ų161152.6 Ų152.684%0.84384%0.841SS**PPolyproline II helixtrans-70.2117.3164.9-92.4113.7000108.4V331V331-L333 PolarHBondContact O-N 3.31Å
334A55.5Low54.7Low95 Ų95148.8 Ų148.879%0.78585%0.846SS**PPolyproline II helixtrans-74.2129.5163.800000109V332V332-A334 PolarHBondContact O-N 2.97Å
335N52.6Low54.8Low241 Ų241151.9 Ų151.9100%1.28986%0.856SS**  trans-670164.1-88.2-24000111.1

Retrieved 335 of 335 residues in 73.4 ms (Link to these results)

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