A0A087Y8F5_POEFO Loading...

Ubiquitin-conjugating enzyme E2 J1

Catalyzes the covalent attachment of ubiquitin to other proteins. Functions in the selective degradation of misfolded membrane proteins from the endoplasmic reticulum (ERAD) and is essential for cells to recover from ER stress. Plays a role in MAPKAPK2-dependent translational control of TNF-alpha synthesis. Also acts as a platform for perinuclear positioning of the endosomal system by mediating ubiquitination of SQSTM1 through interaction with the E3 ubiquitin-protein ligase RNF26. Plays a role in male fecundity through the interaction with the E3 ubiquitin-protein ligase RNF133.

AlphaFold DB , UniProt , Accession A0A087Y8F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 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
1M59.8Low83.8Confident100 Ų10099.5 Ų99.549%0.49350%0.503SS..  0-38.90-66.3179.7-13800114.5N3 K4 M16 P33M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 VanDerWaalsContact O-N 3.14Å; M1-K4 WeakPolarHBondContact O-CB 3.48Å; M1-K4 PolarHBondContact O-N 2.94Å; M1-M16 HydrophobicContact CB-CE 4.21Å; M1-P33 HydrophobicContact CE-CG 4.13Å; M1-P33 HydrophobicContact SD-CG 4.13Å
2E60.8Low84.8Confident134 Ų13491.7 Ų91.763%0.62646%0.464SS*.G310 helixtrans-50.4-42.9-167.8-61.4-179.9151.500115.8K4 Y5E2-K4 PolarHBondContact O-N 3.25Å; E2-K4 VanDerWaalsContact O-N 3.16Å; E2-Y5 PolarHBondContact O-N 3.13Å
3N69.9Low85.7Confident175 Ų17594.6 Ų94.694%0.93647%0.472SS*.G310 helixtrans-69.1-9.2179.7-67-20.8000114.9M1M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 VanDerWaalsContact O-N 3.14Å
4K83.8Confident86.5Confident132 Ų13292.2 Ų92.257%0.57445%0.454SS*.G310 helixtrans-90-20.7-178.8-168.3175.5-176.4-179.40113M1 E2 D36M1-K4 WeakPolarHBondContact O-CB 3.48Å; M1-K4 PolarHBondContact O-N 2.94Å; E2-K4 PolarHBondContact O-N 3.25Å; E2-K4 VanDerWaalsContact O-N 3.16Å; K4-D36 PolarHBondContact NZ-O 3.28Å
5Y88.9Confident87.2Confident41 Ų4186.1 Ų86.116%0.16142%0.424CS..SBendtrans-121.3145.9-169.8-63.1-76.2000112.8E2 L7 M16 D36 N37 L38 F39E2-Y5 PolarHBondContact O-N 3.13Å; Y5-L7 PolarHBondContact O-N 2.95Å; Y5-M16 HydrophobicContact CD2-CE 4.14Å; Y5-D36 PolarHBondContact OH-O 3.26Å; Y5-N37 WeakPolarHBondContact OH-CA 3.44Å; Y5-L38 HydrophobicContact CD1-CB 4.5Å; Y5-L38 HydrophobicContact CD1-CD2 4.5Å; Y5-L38 HydrophobicContact CD2-CB 4.16Å; Y5-L38 HydrophobicContact CD2-CD2 4.08Å; Y5-L38 HydrophobicContact CE1-CB 4.03Å; Y5-L38 HydrophobicContact CE2-CB 3.64Å; Y5-L38 HydrophobicContact CE2-CD2 4.42Å; Y5-L38 HydrophobicContact CG-CD2 4.14Å; Y5-L38 PolarHBondContact OH-N 3.07Å; Y5-F39 HydrophobicContact CD1-CE2 4.35Å; Y5-F39 HydrophobicContact CE1-CD2 4.4Å; Y5-F39 HydrophobicContact CE1-CE2 4.31Å
6N91.2Very high87.7Confident106 Ų10683.3 Ų83.357%0.56741%0.41SS*.  trans-71.196.5175.2179.76.6000110.5K8 S9N6-K8 PolarHBondContact O-N 3.21Å; N6-K8 VanDerWaalsContact OD1-CB 3.29Å; N6-K8 WeakPolarHBondContact OD1-CB 3.28Å; N6-K8 PolarHBondContact OD1-N 3.01Å; N6-S9 VanDerWaalsContact O-CB 3.28Å; N6-S9 WeakPolarHBondContact O-CB 3.45Å; N6-S9 PolarHBondContact O-N 3.37Å
7L90.6Very high88.3Confident88 Ų8887.2 Ų87.246%0.46142%0.424SS..THydrogen-bonded Turntrans-60.8-6.9177.6-58.9-179.7000114.4Y5 V12 K13 M16Y5-L7 PolarHBondContact O-N 2.95Å; L7-V12 HydrophobicContact CD2-CG1 4.03Å; L7-K13 WeakPolarHBondContact O-CE 3.38Å; L7-K13 VanDerWaalsContact O-CG 3.31Å; L7-K13 WeakPolarHBondContact O-CG 3.33Å; L7-M16 HydrophobicContact CD2-CE 4.38Å
8K91.9Very high88.8Confident176 Ų17682.4 Ų82.477%0.76540%0.401SS*.THydrogen-bonded Turntrans-81.3-19.9169.5-58.2-177.6179.2179.60112.9N6N6-K8 PolarHBondContact O-N 3.21Å; N6-K8 VanDerWaalsContact OD1-CB 3.29Å; N6-K8 WeakPolarHBondContact OD1-CB 3.28Å; N6-K8 PolarHBondContact OD1-N 3.01Å
9S94.5Very high89.2Confident35 Ų3579.3 Ų79.325%0.24539%0.39CS..SBendtrans-66127.3177.3174.80000111N6 A11 V12 K13N6-S9 VanDerWaalsContact O-CB 3.28Å; N6-S9 WeakPolarHBondContact O-CB 3.45Å; N6-S9 PolarHBondContact O-N 3.37Å; S9-A11 VanDerWaalsContact C-N 3.26Å; S9-A11 PolarHBondContact O-N 2.93Å; S9-A11 PolarHBondContact OG-N 3.36Å; S9-V12 PolarHBondContact O-N 2.84Å; S9-K13 WeakPolarHBondContact O-CG 3.35Å; S9-K13 PolarHBondContact O-N 3.48Å
10P94.6Very high89.5Confident103 Ų10377.9 Ų77.967%0.66939%0.391SS*.Hα-helixtrans-57-38.9175.3-25.735.2000113.1K13 R14P10-K13 PolarHBondContact O-N 2.89Å; P10-R14 WeakPolarHBondContact O-CB 3.32Å; P10-R14 PolarHBondContact O-N 2.87Å
11A95.7Very high89.8Confident4 Ų477.8 Ų77.83%0.03339%0.39CS..Hα-helixtrans-61.1-48.2177.200000111.7S9 K13 R14 L15 F39 P66 Y68S9-A11 VanDerWaalsContact C-N 3.26Å; S9-A11 PolarHBondContact O-N 2.93Å; S9-A11 PolarHBondContact OG-N 3.36Å; A11-K13 PolarHBondContact O-N 3.21Å; A11-R14 PolarHBondContact O-N 2.83Å; A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 WeakPolarHBondContact O-CG 3.32Å; A11-L15 PolarHBondContact O-N 3.04Å; A11-F39 HydrophobicContact CB-CE1 4.24Å; A11-F39 HydrophobicContact CB-CZ 4.38Å; A11-P66 WeakPolarHBondContact CB-O 3.43Å; A11-Y68 VanDerWaalsContact CA-O 3.23Å; A11-Y68 WeakPolarHBondContact CA-O 3.49Å; A11-Y68 WeakPolarHBondContact CB-O 3.23Å
12V96.6Very high91.5Very high6 Ų673.2 Ų73.24%0.03637%0.367CS..Hα-helixtrans-62.1-44.3177.7175.30000110.7L7 S9 R14 L15 M16 L38 F39L7-V12 HydrophobicContact CD2-CG1 4.03Å; S9-V12 PolarHBondContact O-N 2.84Å; V12-R14 VanDerWaalsContact C-N 3.35Å; V12-R14 PolarHBondContact O-N 3.37Å; V12-L15 PolarHBondContact O-N 2.9Å; V12-M16 HydrophobicContact CG1-CE 4.39Å; V12-M16 HydrophobicContact CG1-CG 4.21Å; V12-M16 WeakPolarHBondContact O-CB 3.27Å; V12-M16 VanDerWaalsContact O-CG 3.24Å; V12-M16 WeakPolarHBondContact O-CG 3.43Å; V12-M16 PolarHBondContact O-N 3.48Å; V12-L38 HydrophobicContact CB-CD2 4.49Å; V12-L38 HydrophobicContact CG1-CD2 4Å; V12-F39 HydrophobicContact CG2-CE2 4.42Å; V12-F39 HydrophobicContact CG2-CZ 4.22Å
13K95.5Very high93Very high130 Ų13073.9 Ų73.957%0.56536%0.364SS*.Hα-helixtrans-59.6-43.8176-70.3-178.3-179.1-1750112.3L7 S9 P10 A11 K17L7-K13 WeakPolarHBondContact O-CE 3.38Å; L7-K13 VanDerWaalsContact O-CG 3.31Å; L7-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 WeakPolarHBondContact O-CG 3.35Å; S9-K13 PolarHBondContact O-N 3.48Å; P10-K13 PolarHBondContact O-N 2.89Å; A11-K13 PolarHBondContact O-N 3.21Å; K13-K17 PolarHBondContact O-N 3.32Å; K13-K17 VanDerWaalsContact O-N 3.16Å
14R97.1Very high94.2Very high61 Ų6170.9 Ų70.923%0.2335%0.348CS..Hα-helixtrans-62.1-50.4177.9-177.970.1-171.3-105.5-17.1110.7P10 A11 V12 K17 E18 Y68 P69 P104 W106P10-R14 WeakPolarHBondContact O-CB 3.32Å; P10-R14 PolarHBondContact O-N 2.87Å; A11-R14 PolarHBondContact O-N 2.83Å; V12-R14 VanDerWaalsContact C-N 3.35Å; V12-R14 PolarHBondContact O-N 3.37Å; R14-K17 WeakPolarHBondContact O-CB 3.31Å; R14-K17 PolarHBondContact O-N 3.25Å; R14-E18 IonicContact CZ-OE1 3.49Å; R14-E18 IonicContact NE-OE1 2.67Å; R14-E18 PolarHBondContact NE-OE1 3.01Å; R14-E18 IonicContact NH2-OE1 2.74Å; R14-E18 PolarHBondContact NH2-OE1 2.97Å; R14-E18 PolarHBondContact O-N 3.4Å; R14-Y68 HydrophobicContact CG-CD1 4.38Å; R14-Y68 HydrophobicContact CG-CE1 3.91Å; R14-P69 HydrophobicContact CG-CG 4.22Å; R14-P104 PolarHBondContact NH1-O 3.35Å; R14-W106 PolarHBondContact NH2-O 3.3Å
15L97.5Very high94.8Very high0 Ų066.8 Ų66.80%034%0.335CS..Hα-helixtrans-66.6-38.3-178.2-67.4175.3000113.1A11 V12 K17 E18 A19 L38 F39 W41 L64 Y68 I108A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 WeakPolarHBondContact O-CG 3.32Å; A11-L15 PolarHBondContact O-N 3.04Å; V12-L15 PolarHBondContact O-N 2.9Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.01Å; L15-E18 PolarHBondContact O-N 3.02Å; L15-A19 VanDerWaalsContact O-CB 3.28Å; L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.04Å; L15-L38 HydrophobicContact CB-CD1 4.06Å; L15-L38 HydrophobicContact CB-CD2 4.16Å; L15-L38 HydrophobicContact CB-CG 3.96Å; L15-L38 HydrophobicContact CD1-CG 4.24Å; L15-F39 HydrophobicContact CD1-CD1 3.81Å; L15-F39 HydrophobicContact CD1-CE1 3.73Å; L15-F39 HydrophobicContact CD1-CG 4.33Å; L15-F39 HydrophobicContact CD1-CZ 4.18Å; L15-W41 HydrophobicContact CD2-CZ2 4.27Å; L15-L64 HydrophobicContact CD1-CD1 4.19Å; L15-L64 HydrophobicContact CD2-CD1 3.63Å; L15-L64 HydrophobicContact CD2-CD2 4.13Å; L15-L64 HydrophobicContact CD2-CG 4.41Å; L15-Y68 HydrophobicContact CD2-CD1 3.58Å; L15-Y68 HydrophobicContact CD2-CE1 3.64Å; L15-Y68 HydrophobicContact CG-CD1 4.01Å; L15-Y68 HydrophobicContact CG-CE1 4.41Å; L15-I108 HydrophobicContact CD2-CD1 4.1Å
16M95.8Very high95.1Very high41 Ų4166.5 Ų66.520%0.20234%0.337CS..Hα-helixtrans-64.1-37.4173.6-68.9-65-166.800112.1M1 Y5 L7 V12 A19 A20 L38M1-M16 HydrophobicContact CB-CE 4.21Å; Y5-M16 HydrophobicContact CD2-CE 4.14Å; L7-M16 HydrophobicContact CD2-CE 4.38Å; V12-M16 HydrophobicContact CG1-CE 4.39Å; V12-M16 HydrophobicContact CG1-CG 4.21Å; V12-M16 WeakPolarHBondContact O-CB 3.27Å; V12-M16 VanDerWaalsContact O-CG 3.24Å; V12-M16 WeakPolarHBondContact O-CG 3.43Å; V12-M16 PolarHBondContact O-N 3.48Å; M16-A19 PolarHBondContact O-N 3.47Å; M16-A20 PolarHBondContact O-N 2.94Å; M16-A20 VanDerWaalsContact O-N 3.12Å; M16-L38 HydrophobicContact CE-CD2 3.86Å; M16-L38 HydrophobicContact CG-CD2 4.28Å; M16-L38 HydrophobicContact SD-CD1 4.09Å; M16-L38 HydrophobicContact SD-CD2 4.16Å
17K96.3Very high95.3Very high150 Ų15062.5 Ų62.565%0.65232%0.315SS*.Hα-helixtrans-64.5-49.3174.4-174.8-174173.8-170.30111K13 R14 L15 A19 A20 E21K13-K17 PolarHBondContact O-N 3.32Å; K13-K17 VanDerWaalsContact O-N 3.16Å; R14-K17 WeakPolarHBondContact O-CB 3.31Å; R14-K17 PolarHBondContact O-N 3.25Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.01Å; K17-A19 VanDerWaalsContact C-N 3.28Å; K17-A19 PolarHBondContact O-N 3.45Å; K17-A20 PolarHBondContact O-N 3.44Å; K17-E21 WeakPolarHBondContact O-CB 3.48Å; K17-E21 PolarHBondContact O-N 3Å
18E97.6Very high95.5Very high2 Ų262 Ų621%0.00931%0.31CS..Hα-helixtrans-64.9-32.4178.7-68.5-168.6-153.200112.2R14 L15 E21 L22 W41 Y68 S107 I108R14-E18 IonicContact CZ-OE1 3.49Å; R14-E18 IonicContact NE-OE1 2.67Å; R14-E18 PolarHBondContact NE-OE1 3.01Å; R14-E18 IonicContact NH2-OE1 2.74Å; R14-E18 PolarHBondContact NH2-OE1 2.97Å; R14-E18 PolarHBondContact O-N 3.4Å; L15-E18 PolarHBondContact O-N 3.02Å; E18-E21 WeakPolarHBondContact O-CB 3.25Å; E18-E21 PolarHBondContact O-N 2.94Å; E18-L22 WeakPolarHBondContact O-CB 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.36Å; E18-L22 PolarHBondContact O-N 3.5Å; E18-W41 HydrophobicContact CB-CH2 4.12Å; E18-Y68 PolarHBondContact OE1-OH 3.15Å; E18-S107 WeakPolarHBondContact OE1-CB 3.28Å; E18-S107 WeakPolarHBondContact OE2-CB 3.28Å; E18-I108 VanDerWaalsContact OE2-CB 3.27Å; E18-I108 WeakPolarHBondContact OE2-CB 3.49Å; E18-I108 VanDerWaalsContact OE2-CG1 3.28Å; E18-I108 WeakPolarHBondContact OE2-CG1 3.46Å; E18-I108 PolarHBondContact OE2-N 3.21Å
19A96.8Very high95.8Very high22 Ų2253.8 Ų53.818%0.18228%0.275CS..Hα-helixtrans-69.2-35.5176.600000111.9L15 M16 K17 E21 R23 P33 W41L15-A19 VanDerWaalsContact O-CB 3.28Å; L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.04Å; M16-A19 PolarHBondContact O-N 3.47Å; K17-A19 VanDerWaalsContact C-N 3.28Å; K17-A19 PolarHBondContact O-N 3.45Å; A19-E21 VanDerWaalsContact C-N 3.31Å; A19-R23 WeakPolarHBondContact O-CB 3.26Å; A19-R23 PolarHBondContact O-N 3.35Å; A19-P33 HydrophobicContact CB-CG 4.23Å; A19-W41 HydrophobicContact CB-CH2 3.76Å; A19-W41 HydrophobicContact CB-CZ2 3.99Å
20A95.7Very high96Very high51 Ų5153.2 Ų53.242%0.42127%0.268SS..Hα-helixtrans-70-29.117200000112.7M16 K17 R23M16-A20 PolarHBondContact O-N 2.94Å; M16-A20 VanDerWaalsContact O-N 3.12Å; K17-A20 PolarHBondContact O-N 3.44Å; A20-R23 PolarHBondContact O-NH2 3.49Å
21E95.6Very high96.1Very high76 Ų7648.3 Ų48.336%0.35524%0.236SC..Hα-helixtrans-78.2-37178.7-166.1-159.5124.400113K17 E18 A19 R109K17-E21 WeakPolarHBondContact O-CB 3.48Å; K17-E21 PolarHBondContact O-N 3Å; E18-E21 WeakPolarHBondContact O-CB 3.25Å; E18-E21 PolarHBondContact O-N 2.94Å; A19-E21 VanDerWaalsContact C-N 3.31Å; E21-R109 IonicContact OE1-CZ 3.9Å; E21-R109 VanDerWaalsContact OE1-CZ 3.27Å; E21-R109 IonicContact OE1-NE 3.14Å; E21-R109 PolarHBondContact OE1-NE 3.37Å; E21-R109 IonicContact OE1-NH2 2.82Å; E21-R109 PolarHBondContact OE1-NH2 3.02Å
22L95.9Very high96.2Very high4 Ų452.5 Ų52.52%0.02126%0.255CS..Hα-helixtrans-102.41.5-173.6-66.5171.7000114.5E18 D24 Y29 W41 I108 R109E18-L22 WeakPolarHBondContact O-CB 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.36Å; E18-L22 PolarHBondContact O-N 3.5Å; L22-D24 VanDerWaalsContact C-N 3.28Å; L22-D24 PolarHBondContact O-N 3.3Å; L22-Y29 HydrophobicContact CD2-CE2 3.75Å; L22-W41 HydrophobicContact CB-CZ3 4.35Å; L22-W41 HydrophobicContact CD1-CH2 4.46Å; L22-W41 HydrophobicContact CD1-CZ3 3.92Å; L22-I108 HydrophobicContact CD1-CB 3.75Å; L22-I108 HydrophobicContact CD1-CG2 3.62Å; L22-R109 HydrophobicContact CD2-CB 4.17Å
23R92.6Very high96.2Very high149 Ų14953 Ų5356%0.56226%0.258SS*.SBendtrans-47.2-48.3-178.3165.8172.446-135.9-21.8113.2A19 A20 H30A19-R23 WeakPolarHBondContact O-CB 3.26Å; A19-R23 PolarHBondContact O-N 3.35Å; A20-R23 PolarHBondContact O-NH2 3.49Å; R23-H30 PolarHBondContact O-NE2 3.02Å
24D94.4Very high96Very high111 Ų11148.5 Ų48.559%0.59424%0.24SC*.SBendtrans-92.9136.1-173.5-57.9-61.6000110.5L22L22-D24 VanDerWaalsContact C-N 3.28Å; L22-D24 PolarHBondContact O-N 3.3Å
25P96Very high95.7Very high46 Ų4652.6 Ų52.630%0.29927%0.267SS..  trans-67.614518028.7-35.3000111.5H30 L161P25-H30 HydrophobicContact CB-CB 3.86Å; P25-L161 HydrophobicContact CG-CD2 4.25Å; P25-L161 HydrophobicContact CG-CG 4.42Å; P25-L161 VanDerWaalsContact O-CD1 3.23Å; P25-L161 WeakPolarHBondContact O-CD1 3.39Å; P25-L161 WeakPolarHBondContact O-CG 3.34Å
26T95.8Very high95.4Very high35 Ų3557.4 Ų57.422%0.21529%0.292CS..  trans-99.6179.8168.972.10000110.5H28 Y29 L161T26-H28 PolarHBondContact O-N 2.9Å; T26-H28 PolarHBondContact OG1-N 3.48Å; T26-Y29 HydrophobicContact CG2-CE1 4.49Å; T26-Y29 HydrophobicContact CG2-CE2 4.1Å; T26-Y29 PolarHBondContact N-O 3.42Å; T26-Y29 PolarHBondContact OG1-N 2.95Å; T26-Y29 PolarHBondContact OG1-O 3.47Å; T26-L161 PolarHBondContact O-N 2.85Å
27E95Very high95.3Very high22 Ų2257.7 Ų57.710%0.10330%0.295CS..SBendtrans-68.7-22.7171.4-56.8-169.3172.800112.9R46 L161 P162 L163 T164 S167E27-R46 PolarHBondContact O-NE 3.03Å; E27-R46 PolarHBondContact O-NH2 2.73Å; E27-R46 VanDerWaalsContact O-NH2 3.12Å; E27-L161 HydrophobicContact CG-CB 4.01Å; E27-P162 VanDerWaalsContact CD-O 3.3Å; E27-P162 WeakPolarHBondContact CG-O 3.37Å; E27-L163 HydrophobicContact CB-CD2 4.13Å; E27-L163 WeakPolarHBondContact OE2-CA 3.41Å; E27-T164 WeakPolarHBondContact OE1-CB 3.21Å; E27-T164 WeakPolarHBondContact OE1-CG2 3.25Å; E27-T164 PolarHBondContact OE1-N 3.02Å; E27-T164 VanDerWaalsContact OE1-N 3.07Å; E27-T164 PolarHBondContact OE1-OG1 3.43Å; E27-T164 PolarHBondContact OE2-N 3.43Å; E27-S167 VanDerWaalsContact CD-CB 3.41Å; E27-S167 VanDerWaalsContact CD-OG 3.29Å; E27-S167 WeakPolarHBondContact OE1-CB 3.38Å; E27-S167 PolarHBondContact OE1-OG 3.32Å; E27-S167 VanDerWaalsContact OE2-CB 3.25Å; E27-S167 WeakPolarHBondContact OE2-CB 3.36Å; E27-S167 PolarHBondContact OE2-OG 2.94Å
28H95.5Very high95.3Very high77 Ų7750.6 Ų50.636%0.35626%0.264SS..SBendtrans-109.6-31.1-171.5-61.1-47.3000114.2T26 V45 R46 I116T26-H28 PolarHBondContact O-N 2.9Å; T26-H28 PolarHBondContact OG1-N 3.48Å; H28-V45 CarbonylContact O-C 3.52Å; H28-V45 WeakPolarHBondContact O-CA 3.46Å; H28-R46 PolarHBondContact O-N 2.82Å; H28-I116 HydrophobicContact CB-CD1 4.34Å
29Y97.7Very high95.2Very high4 Ų452.3 Ų52.32%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-156.6159.1-179.963.5-93.2000113.1L22 T26 S44 R109 L112 I113 I116 L160 D173L22-Y29 HydrophobicContact CD2-CE2 3.75Å; T26-Y29 HydrophobicContact CG2-CE1 4.49Å; T26-Y29 HydrophobicContact CG2-CE2 4.1Å; T26-Y29 PolarHBondContact N-O 3.42Å; T26-Y29 PolarHBondContact OG1-N 2.95Å; T26-Y29 PolarHBondContact OG1-O 3.47Å; Y29-S44 CarbonylContact C-O 3.59Å; Y29-S44 WeakPolarHBondContact CA-O 3.42Å; Y29-R109 HydrophobicContact CE2-CG 4.41Å; Y29-R109 WeakPolarHBondContact OH-CG 3.43Å; Y29-R109 PolarHBondContact OH-NH1 3.41Å; Y29-L112 HydrophobicContact CD2-CB 4.39Å; Y29-L112 HydrophobicContact CD2-CD1 3.53Å; Y29-L112 HydrophobicContact CE2-CD1 4.23Å; Y29-L112 HydrophobicContact CG-CB 4.18Å; Y29-L112 HydrophobicContact CG-CD1 4.07Å; Y29-I113 HydrophobicContact CD1-CG1 4.16Å; Y29-I113 HydrophobicContact CE1-CD1 3.92Å; Y29-I113 HydrophobicContact CE1-CG1 3.87Å; Y29-I116 HydrophobicContact CD1-CD1 4.49Å; Y29-L160 VanDerWaalsContact CA-CD2 3.44Å; Y29-D173 PolarHBondContact OH-OD1 3.44Å
30H97.9Very high95.2Very high23 Ų2353.2 Ų53.211%0.10627%0.272CS..EExtended strand (participates in β ladder)trans-142.2145.5168.5179.4-121.5000108.5R23 P25 F43 S44 L160R23-H30 PolarHBondContact O-NE2 3.02Å; P25-H30 HydrophobicContact CB-CB 3.86Å; H30-F43 CarbonylContact O-C 3.53Å; H30-F43 WeakPolarHBondContact O-CA 2.98Å; H30-F43 WeakPolarHBondContact O-CB 3.45Å; H30-S44 PolarHBondContact N-O 3.21Å; H30-S44 PolarHBondContact O-N 3.28Å; H30-L160 HydrophobicContact CB-CD2 3.86Å
31A97.9Very high95.3Very high0 Ų050.8 Ų50.80%025%0.252CS..EExtended strand (participates in β ladder)trans-153.7140.917200000112.1W41 H42 F43 I108 L112A31-W41 HydrophobicContact CB-CE3 4.12Å; A31-H42 VanDerWaalsContact CA-O 3.28Å; A31-H42 WeakPolarHBondContact CA-O 3.45Å; A31-F43 HydrophobicContact CB-CB 3.74Å; A31-I108 HydrophobicContact CB-CG2 4.25Å; A31-L112 HydrophobicContact CB-CD1 3.68Å
32Q96.5Very high95.5Very high93 Ų9347.6 Ų47.644%0.43524%0.237SC..EExtended strand (participates in β ladder)trans-146.5149178.260.6-176.7-5.300111.4W41 H42Q32-W41 VanDerWaalsContact C-CE3 3.5Å; Q32-W41 CarbonylContact O-C 3.56Å; Q32-W41 WeakPolarHBondContact O-CA 3.36Å; Q32-W41 WeakPolarHBondContact O-CB 3.18Å; Q32-H42 PolarHBondContact N-O 2.93Å; Q32-H42 PolarHBondContact O-N 2.94Å
33P96.8Very high95.6Very high15 Ų1547.5 Ų47.510%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-62.7156.3168.227.7-34.2000111.2M1 A19 L38 E40 W41M1-P33 HydrophobicContact CE-CG 4.13Å; M1-P33 HydrophobicContact SD-CG 4.13Å; A19-P33 HydrophobicContact CB-CG 4.23Å; P33-L38 HydrophobicContact CB-CD1 4.19Å; P33-L38 HydrophobicContact CG-CD1 4.29Å; P33-E40 WeakPolarHBondContact CA-O 3.41Å; P33-W41 HydrophobicContact CB-CD2 4.2Å; P33-W41 HydrophobicContact CB-CG 4.24Å; P33-W41 HydrophobicContact CG-CZ2 4.43Å
34L92.8Very high95.9Very high37 Ų3740.5 Ų40.519%0.19421%0.21CC..EExtended strand (participates in β ladder)trans-66.8145.9164.2-65.5179.8000110.2D36 N37 E40L34-D36 PolarHBondContact O-N 3.02Å; L34-D36 VanDerWaalsContact O-N 3.08Å; L34-N37 HydrophobicContact CB-CB 4.25Å; L34-N37 CarbonylContact O-C 3.53Å; L34-N37 PolarHBondContact O-N 2.92Å; L34-E40 HydrophobicContact CD1-CB 4.09Å; L34-E40 HydrophobicContact CD1-CG 3.79Å; L34-E40 HydrophobicContact CG-CG 4.38Å; L34-E40 PolarHBondContact N-O 3.3Å
35D89.4Confident96Very high146 Ų14635.2 Ų35.278%0.78118%0.182SC*.THydrogen-bonded Turntrans-54.8-32-177.9-75-44.6000113.7
36D90.9Very high96.1Very high101 Ų10134.7 Ų34.754%0.5417%0.174SC..THydrogen-bonded Turntrans-102.3-11.8179.776.3-32.1000114K4 Y5 L34K4-D36 PolarHBondContact NZ-O 3.28Å; Y5-D36 PolarHBondContact OH-O 3.26Å; L34-D36 PolarHBondContact O-N 3.02Å; L34-D36 VanDerWaalsContact O-N 3.08Å
37N93.9Very high96.2Very high48 Ų4833.2 Ų33.226%0.25717%0.166SC..EExtended strand (participates in β ladder)trans-138.397.6-175.9-169.57.6000113.9Y5 L34 F39 E40Y5-N37 WeakPolarHBondContact OH-CA 3.44Å; L34-N37 HydrophobicContact CB-CB 4.25Å; L34-N37 CarbonylContact O-C 3.53Å; L34-N37 PolarHBondContact O-N 2.92Å; N37-F39 PolarHBondContact O-N 2.96Å; N37-F39 VanDerWaalsContact O-N 3.11Å; N37-F39 PolarHBondContact OD1-N 3.18Å; N37-E40 HydrophobicContact CB-CB 4.26Å; N37-E40 WeakPolarHBondContact ND2-CB 3.26Å; N37-E40 PolarHBondContact O-N 2.81Å; N37-E40 VanDerWaalsContact O-N 3.13Å
38L95.9Very high96.2Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-60.4-19.8173.9-17464.6000114.4Y5 V12 L15 M16 P33 W41Y5-L38 HydrophobicContact CD1-CB 4.5Å; Y5-L38 HydrophobicContact CD1-CD2 4.5Å; Y5-L38 HydrophobicContact CD2-CB 4.16Å; Y5-L38 HydrophobicContact CD2-CD2 4.08Å; Y5-L38 HydrophobicContact CE1-CB 4.03Å; Y5-L38 HydrophobicContact CE2-CB 3.64Å; Y5-L38 HydrophobicContact CE2-CD2 4.42Å; Y5-L38 HydrophobicContact CG-CD2 4.14Å; Y5-L38 PolarHBondContact OH-N 3.07Å; V12-L38 HydrophobicContact CB-CD2 4.49Å; V12-L38 HydrophobicContact CG1-CD2 4Å; L15-L38 HydrophobicContact CB-CD1 4.06Å; L15-L38 HydrophobicContact CB-CD2 4.16Å; L15-L38 HydrophobicContact CB-CG 3.96Å; L15-L38 HydrophobicContact CD1-CG 4.24Å; M16-L38 HydrophobicContact CE-CD2 3.86Å; M16-L38 HydrophobicContact CG-CD2 4.28Å; M16-L38 HydrophobicContact SD-CD1 4.09Å; M16-L38 HydrophobicContact SD-CD2 4.16Å; P33-L38 HydrophobicContact CB-CD1 4.19Å; P33-L38 HydrophobicContact CG-CD1 4.29Å; L38-W41 PolarHBondContact O-NE1 3.11Å
39F97Very high96.1Very high39 Ų3933.6 Ų33.617%0.17118%0.177CC..EExtended strand (participates in β ladder)trans-96.72.7-179.3-68.8-92.7000113.2Y5 A11 V12 L15 N37 L64Y5-F39 HydrophobicContact CD1-CE2 4.35Å; Y5-F39 HydrophobicContact CE1-CD2 4.4Å; Y5-F39 HydrophobicContact CE1-CE2 4.31Å; A11-F39 HydrophobicContact CB-CE1 4.24Å; A11-F39 HydrophobicContact CB-CZ 4.38Å; V12-F39 HydrophobicContact CG2-CE2 4.42Å; V12-F39 HydrophobicContact CG2-CZ 4.22Å; L15-F39 HydrophobicContact CD1-CD1 3.81Å; L15-F39 HydrophobicContact CD1-CE1 3.73Å; L15-F39 HydrophobicContact CD1-CG 4.33Å; L15-F39 HydrophobicContact CD1-CZ 4.18Å; N37-F39 PolarHBondContact O-N 2.96Å; N37-F39 VanDerWaalsContact O-N 3.11Å; N37-F39 PolarHBondContact OD1-N 3.18Å; F39-L64 HydrophobicContact CB-CB 4.43Å; F39-L64 HydrophobicContact CD1-CB 4.17Å; F39-L64 PolarHBondContact O-N 3.01Å
40E96.9Very high95.8Very high40 Ų4041.2 Ų41.219%0.18722%0.218CC..EExtended strand (participates in β ladder)trans-128.9122.1172-176.4160.7-163.900109.5P33 L34 N37 R61 I62P33-E40 WeakPolarHBondContact CA-O 3.41Å; L34-E40 HydrophobicContact CD1-CB 4.09Å; L34-E40 HydrophobicContact CD1-CG 3.79Å; L34-E40 HydrophobicContact CG-CG 4.38Å; L34-E40 PolarHBondContact N-O 3.3Å; N37-E40 HydrophobicContact CB-CB 4.26Å; N37-E40 WeakPolarHBondContact ND2-CB 3.26Å; N37-E40 PolarHBondContact O-N 2.81Å; N37-E40 VanDerWaalsContact O-N 3.13Å; E40-R61 WeakPolarHBondContact OE1-CD 3.29Å; E40-R61 IonicContact OE1-CZ 2.66Å; E40-R61 IonicContact OE1-NE 3.77Å; E40-R61 IonicContact OE1-NH1 2.7Å; E40-R61 PolarHBondContact OE1-NH1 3.44Å; E40-I62 WeakPolarHBondContact CA-O 3.41Å
41W97.8Very high95.7Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-120.5143.3-174.7-7147.4000109.6L15 E18 A19 L22 A31 Q32 P33 L38 R61 I62 L64 I108L15-W41 HydrophobicContact CD2-CZ2 4.27Å; E18-W41 HydrophobicContact CB-CH2 4.12Å; A19-W41 HydrophobicContact CB-CH2 3.76Å; A19-W41 HydrophobicContact CB-CZ2 3.99Å; L22-W41 HydrophobicContact CB-CZ3 4.35Å; L22-W41 HydrophobicContact CD1-CH2 4.46Å; L22-W41 HydrophobicContact CD1-CZ3 3.92Å; A31-W41 HydrophobicContact CB-CE3 4.12Å; Q32-W41 VanDerWaalsContact C-CE3 3.5Å; Q32-W41 CarbonylContact O-C 3.56Å; Q32-W41 WeakPolarHBondContact O-CA 3.36Å; Q32-W41 WeakPolarHBondContact O-CB 3.18Å; P33-W41 HydrophobicContact CB-CD2 4.2Å; P33-W41 HydrophobicContact CB-CG 4.24Å; P33-W41 HydrophobicContact CG-CZ2 4.43Å; L38-W41 PolarHBondContact O-NE1 3.11Å; W41-R61 CarbonylContact O-C 3.57Å; W41-R61 WeakPolarHBondContact O-CA 3.38Å; W41-R61 VanDerWaalsContact O-CB 3.29Å; W41-R61 WeakPolarHBondContact O-CB 3.3Å; W41-I62 HydrophobicContact CB-CB 4.31Å; W41-I62 PolarHBondContact N-O 3.27Å; W41-I62 PolarHBondContact O-N 3.4Å; W41-L64 HydrophobicContact CG-CD1 4.13Å; W41-I108 HydrophobicContact CD2-CD1 3.72Å; W41-I108 HydrophobicContact CE3-CD1 3.8Å; W41-I108 HydrophobicContact CE3-CG2 4.36Å; W41-I108 HydrophobicContact CG-CD1 4.43Å; W41-I108 HydrophobicContact CH2-CD1 3.62Å; W41-I108 HydrophobicContact CZ2-CD1 3.59Å; W41-I108 HydrophobicContact CZ3-CD1 3.76Å; W41-I108 HydrophobicContact CZ3-CG2 4.42Å
42H97.9Very high95.7Very high10 Ų1042.9 Ų42.95%0.04623%0.229CC..EExtended strand (participates in β ladder)trans-99.7145.4167.2-84-123.4000109.3A31 Q32 H59 G60 C152A31-H42 VanDerWaalsContact CA-O 3.28Å; A31-H42 WeakPolarHBondContact CA-O 3.45Å; Q32-H42 PolarHBondContact N-O 2.93Å; Q32-H42 PolarHBondContact O-N 2.94Å; H42-H59 AromaticContact CE1-NE2 3.93Å; H42-H59 AromaticContact CG-NE2 3.74Å; H42-H59 AromaticContact ND1-CD2 3.86Å; H42-H59 AromaticContact ND1-CE1 3.82Å; H42-H59 AromaticContact ND1-NE2 2.92Å; H42-H59 PolarHBondContact ND1-NE2 3.11Å; H42-G60 WeakPolarHBondContact CA-O 3.37Å; H42-C152 PolarHBondContact ND1-SG 3.11Å
43F98.4Very high95.8Very high1 Ų138.6 Ų38.60%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-140.6155.3179.173.9-92.2000112H30 A31 V45 H59 G60 R61 I62 I75 L77 L112 I115H30-F43 CarbonylContact O-C 3.53Å; H30-F43 WeakPolarHBondContact O-CA 2.98Å; H30-F43 WeakPolarHBondContact O-CB 3.45Å; A31-F43 HydrophobicContact CB-CB 3.74Å; F43-V45 HydrophobicContact CD2-CG1 3.95Å; F43-V45 HydrophobicContact CD2-CG2 4.4Å; F43-V45 HydrophobicContact CE2-CG1 4.17Å; F43-V45 HydrophobicContact CE2-CG2 4.04Å; F43-H59 CarbonylContact O-C 3.58Å; F43-H59 WeakPolarHBondContact O-CA 3.39Å; F43-H59 PolarHBondContact O-CE1 2.79Å; F43-H59 PolarHBondContact O-ND1 3.43Å; F43-G60 WeakPolarHBondContact CD1-O 3.43Å; F43-G60 PolarHBondContact N-O 2.88Å; F43-G60 PolarHBondContact O-N 2.85Å; F43-R61 VanDerWaalsContact CE1-N 3.33Å; F43-I62 HydrophobicContact CD1-CD1 4.04Å; F43-I62 HydrophobicContact CD1-CG1 3.64Å; F43-I62 HydrophobicContact CE1-CG1 3.86Å; F43-I75 HydrophobicContact CE1-CG2 4.15Å; F43-I75 HydrophobicContact CZ-CG2 4.1Å; F43-L77 HydrophobicContact CE2-CD1 4.44Å; F43-L77 HydrophobicContact CZ-CD1 4.32Å; F43-L77 HydrophobicContact CZ-CD2 4.3Å; F43-L112 HydrophobicContact CB-CD2 3.56Å; F43-L112 HydrophobicContact CD1-CD2 4.3Å; F43-L112 HydrophobicContact CD2-CD2 3.5Å; F43-L112 HydrophobicContact CE2-CD2 4.22Å; F43-L112 HydrophobicContact CG-CD2 3.53Å; F43-I115 HydrophobicContact CE1-CD1 4.5Å; F43-I115 HydrophobicContact CE2-CD1 4.09Å; F43-I115 HydrophobicContact CZ-CD1 3.84Å
44S98.5Very high95.8Very high2 Ų241.4 Ų41.41%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-127.7136.9169.5-60.20000108.6Y29 H30 Y58 H59 M156Y29-S44 CarbonylContact C-O 3.59Å; Y29-S44 WeakPolarHBondContact CA-O 3.42Å; H30-S44 PolarHBondContact N-O 3.21Å; H30-S44 PolarHBondContact O-N 3.28Å; S44-Y58 WeakPolarHBondContact CA-O 3.44Å; S44-H59 PolarHBondContact OG-ND1 3.29Å; S44-M156 WeakPolarHBondContact OG-CE 3.41Å
45V98.3Very high96Very high0 Ų041.5 Ų41.50%023%0.233CC..EExtended strand (participates in β ladder)trans-129.5140.4176.3-72.50000110.6H28 F43 V57 Y58 L112 I115 I116 M119H28-V45 CarbonylContact O-C 3.52Å; H28-V45 WeakPolarHBondContact O-CA 3.46Å; F43-V45 HydrophobicContact CD2-CG1 3.95Å; F43-V45 HydrophobicContact CD2-CG2 4.4Å; F43-V45 HydrophobicContact CE2-CG1 4.17Å; F43-V45 HydrophobicContact CE2-CG2 4.04Å; V45-V57 CarbonylContact O-C 3.49Å; V45-V57 WeakPolarHBondContact O-CA 3.49Å; V45-Y58 PolarHBondContact N-O 3.2Å; V45-Y58 PolarHBondContact O-N 3.19Å; V45-L112 HydrophobicContact CG1-CB 4.31Å; V45-L112 HydrophobicContact CG1-CD2 4.04Å; V45-I115 HydrophobicContact CG2-CG2 4.27Å; V45-I116 HydrophobicContact CB-CD1 4.12Å; V45-I116 HydrophobicContact CB-CG1 3.84Å; V45-I116 HydrophobicContact CG1-CD1 4.05Å; V45-I116 HydrophobicContact CG1-CG1 3.96Å; V45-M119 HydrophobicContact CG2-CE 3.81Å
46R97.9Very high96.4Very high36 Ų3634.5 Ų34.514%0.13620%0.196CC..EExtended strand (participates in β ladder)trans-75.9142.7170.6-164.4177-64-77.5-1.2109.5E27 H28 L160 L161E27-R46 PolarHBondContact O-NE 3.03Å; E27-R46 PolarHBondContact O-NH2 2.73Å; E27-R46 VanDerWaalsContact O-NH2 3.12Å; H28-R46 PolarHBondContact O-N 2.82Å; R46-L160 HydrophobicContact CB-CD1 3.83Å; R46-L161 PolarHBondContact NH2-O 3.41Å
47G97.2Very high96.8Very high4 Ų429.9 Ų29.94%0.04117%0.171CC..PPolyproline II helixtrans-60.9145.3167.500000111.4F53 G56G47-F53 WeakPolarHBondContact CA-O 3.49Å; G47-G56 PolarHBondContact N-O 3.29Å
48P94.9Very high97Very high17 Ų1727.6 Ų27.611%0.1116%0.159CC..PPolyproline II helixtrans-60.6141.8174.5-23.634.7000111.6S51 D54 I116 P120P48-S51 PolarHBondContact O-OG 2.72Å; P48-D54 WeakPolarHBondContact O-CB 3.32Å; P48-I116 HydrophobicContact CG-CG2 3.82Å; P48-I116 WeakPolarHBondContact CG-O 3.17Å; P48-P120 HydrophobicContact CB-CG 4.11Å; P48-P120 HydrophobicContact CG-CG 3.72Å
49P92.6Very high97.1Very high90 Ų9027.7 Ų27.758%0.58416%0.16SC*.THydrogen-bonded Turntrans-60.3157.3169.729.1-35.5000110.7S51 D54P49-S51 PolarHBondContact O-N 2.82Å; P49-D54 WeakPolarHBondContact CA-OD2 3.4Å
50D92.9Very high97.2Very high164 Ų16425.9 Ų25.988%0.87715%0.152SC*.THydrogen-bonded Turntrans58.129.4176.7-53.3-55.8000113.6D54D50-D54 PolarHBondContact N-OD2 3.19Å
51S95.9Very high97.2Very high20 Ų2027.5 Ų27.514%0.1416%0.156CC..SBendtrans-132.2168.8-179.482.80000112.3P48 P49 F53 D54P48-S51 PolarHBondContact O-OG 2.72Å; P49-S51 PolarHBondContact O-N 2.82Å; S51-F53 PolarHBondContact O-N 3.22Å; S51-F53 PolarHBondContact OG-N 3.47Å; S51-D54 VanDerWaalsContact O-CB 3.28Å; S51-D54 WeakPolarHBondContact O-CB 3.4Å; S51-D54 PolarHBondContact O-N 2.66Å
52D97.5Very high97.1Very high38 Ų3827.5 Ų27.520%0.20316%0.156CC..THydrogen-bonded Turntrans-65.9-7.5175.8-56.9-34.7000114.1P134 R137 K138D52-P134 WeakPolarHBondContact OD1-CB 3.38Å; D52-P134 WeakPolarHBondContact OD2-CA 3.47Å; D52-P134 WeakPolarHBondContact OD2-CB 3.23Å; D52-R137 HydrophobicContact CB-CB 3.73Å; D52-R137 CarbonylContact O-C 3.43Å; D52-K138 HydrophobicContact CB-CG 4.32Å; D52-K138 WeakPolarHBondContact O-CA 3.21Å; D52-K138 PolarHBondContact O-N 3.12Å; D52-K138 VanDerWaalsContact O-N 3.15Å; D52-K138 WeakPolarHBondContact OD1-CE 3.17Å; D52-K138 IonicContact OD1-NZ 3.6Å; D52-K138 PolarHBondContact OD1-NZ 3.04Å
53F98Very high97.1Very high2 Ų229.3 Ų29.31%0.00917%0.168CC..THydrogen-bonded Turntrans-101.9-4.5178.5-52.6-85.5000112.4G47 S51 G56 Y58 N81 R83 M119 R137G47-F53 WeakPolarHBondContact CA-O 3.49Å; S51-F53 PolarHBondContact O-N 3.22Å; S51-F53 PolarHBondContact OG-N 3.47Å; F53-G56 WeakPolarHBondContact O-CA 3.43Å; F53-G56 PolarHBondContact O-N 3.24Å; F53-Y58 VanDerWaalsContact CA-OH 3.31Å; F53-Y58 WeakPolarHBondContact CA-OH 3.39Å; F53-Y58 HydrophobicContact CB-CE2 4Å; F53-Y58 WeakPolarHBondContact CB-OH 3.45Å; F53-Y58 HydrophobicContact CD1-CE2 4.49Å; F53-Y58 PolarHBondContact O-OH 3.49Å; F53-N81 WeakPolarHBondContact CE1-O 3.3Å; F53-R83 HydrophobicContact CE1-CB 3.55Å; F53-R83 HydrophobicContact CE1-CG 4.29Å; F53-R83 HydrophobicContact CZ-CB 3.64Å; F53-R83 HydrophobicContact CZ-CG 4.1Å; F53-M119 HydrophobicContact CB-SD 4.44Å; F53-M119 HydrophobicContact CD1-CB 4.45Å; F53-M119 HydrophobicContact CD1-SD 4.16Å; F53-M119 HydrophobicContact CD2-CB 4.02Å; F53-M119 HydrophobicContact CE2-CB 4.25Å; F53-M119 WeakPolarHBondContact CE2-O 3.41Å; F53-M119 HydrophobicContact CG-CB 4.15Å; F53-M119 HydrophobicContact CG-SD 4.28Å; F53-M119 WeakPolarHBondContact CZ-O 3.41Å; F53-R137 HydrophobicContact CE1-CG 4.36Å; F53-R137 HydrophobicContact CZ-CG 4.38Å
54D97.2Very high97Very high74 Ų7429.6 Ų29.640%0.39617%0.169SC..THydrogen-bonded Turntrans-59.7146.3-176.6-163.5-1.6000111.8P48 P49 D50 S51 G56 A141P48-D54 WeakPolarHBondContact O-CB 3.32Å; P49-D54 WeakPolarHBondContact CA-OD2 3.4Å; D50-D54 PolarHBondContact N-OD2 3.19Å; S51-D54 VanDerWaalsContact O-CB 3.28Å; S51-D54 WeakPolarHBondContact O-CB 3.4Å; S51-D54 PolarHBondContact O-N 2.66Å; D54-G56 PolarHBondContact O-N 3.36Å; D54-A141 WeakPolarHBondContact O-CB 3.41Å
55G96.3Very high96.9Very high39 Ų3930.8 Ų30.840%0.40218%0.177SC..THydrogen-bonded Turntrans70.8-5.6-169.700000114.7Q145G55-Q145 PolarHBondContact O-NE2 3.41Å
56G98.2Very high96.7Very high0 Ų035.5 Ų35.50%021%0.208CC..  trans-85.8155.6177.300000114.7G47 F53 D54 A141 S144G47-G56 PolarHBondContact N-O 3.29Å; F53-G56 WeakPolarHBondContact O-CA 3.43Å; F53-G56 PolarHBondContact O-N 3.24Å; D54-G56 PolarHBondContact O-N 3.36Å; G56-A141 WeakPolarHBondContact CA-O 3.26Å; G56-S144 VanDerWaalsContact CA-OG 3.24Å; G56-S144 WeakPolarHBondContact CA-OG 3.1Å
57V98.4Very high96.5Very high3 Ų337.9 Ų37.92%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-136120.5169.8178.10000108V45 S144 M156 L160V45-V57 CarbonylContact O-C 3.49Å; V45-V57 WeakPolarHBondContact O-CA 3.49Å; V57-S144 PolarHBondContact N-OG 2.98Å; V57-S144 VanDerWaalsContact O-CB 3.31Å; V57-S144 WeakPolarHBondContact O-CB 3.38Å; V57-S144 PolarHBondContact O-OG 2.82Å; V57-M156 HydrophobicContact CB-CB 4.1Å; V57-M156 HydrophobicContact CG1-CB 4.02Å; V57-M156 HydrophobicContact CG1-CG 4.33Å; V57-M156 HydrophobicContact CG1-SD 3.83Å; V57-L160 HydrophobicContact CG1-CD1 3.86Å; V57-L160 HydrophobicContact CG1-CG 4.19Å; V57-L160 HydrophobicContact CG2-CD1 4.2Å
58Y98.6Very high96.5Very high0 Ų037.8 Ų37.80%022%0.219CC..EExtended strand (participates in β ladder)trans-115.5123.5-167.8-53.1-81000110.8S44 V45 F53 T79 N81 M119 A141S44-Y58 WeakPolarHBondContact CA-O 3.44Å; V45-Y58 PolarHBondContact N-O 3.2Å; V45-Y58 PolarHBondContact O-N 3.19Å; F53-Y58 VanDerWaalsContact CA-OH 3.31Å; F53-Y58 WeakPolarHBondContact CA-OH 3.39Å; F53-Y58 HydrophobicContact CB-CE2 4Å; F53-Y58 WeakPolarHBondContact CB-OH 3.45Å; F53-Y58 HydrophobicContact CD1-CE2 4.49Å; F53-Y58 PolarHBondContact O-OH 3.49Å; Y58-T79 HydrophobicContact CD1-CG2 4.24Å; Y58-N81 HydrophobicContact CD1-CB 3.64Å; Y58-N81 HydrophobicContact CE1-CB 3.59Å; Y58-M119 HydrophobicContact CD2-CE 4.04Å; Y58-M119 HydrophobicContact CD2-SD 3.71Å; Y58-M119 HydrophobicContact CE2-CE 4.49Å; Y58-M119 HydrophobicContact CE2-SD 3.88Å; Y58-M119 HydrophobicContact CG-SD 4.37Å; Y58-A141 WeakPolarHBondContact OH-CA 3.49Å; Y58-A141 VanDerWaalsContact OH-CB 3.28Å; Y58-A141 WeakPolarHBondContact OH-CB 3.45Å
59H98.6Very high96.5Very high3 Ų337.7 Ų37.71%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-86.5147.7174.6-155.657.6000111.6H42 F43 S44 L78 T79 F147 C149 C152 M156H42-H59 AromaticContact CE1-NE2 3.93Å; H42-H59 AromaticContact CG-NE2 3.74Å; H42-H59 AromaticContact ND1-CD2 3.86Å; H42-H59 AromaticContact ND1-CE1 3.82Å; H42-H59 AromaticContact ND1-NE2 2.92Å; H42-H59 PolarHBondContact ND1-NE2 3.11Å; F43-H59 CarbonylContact O-C 3.58Å; F43-H59 WeakPolarHBondContact O-CA 3.39Å; F43-H59 PolarHBondContact O-CE1 2.79Å; F43-H59 PolarHBondContact O-ND1 3.43Å; S44-H59 PolarHBondContact OG-ND1 3.29Å; H59-L78 PolarHBondContact O-N 3.29Å; H59-T79 VanDerWaalsContact CB-OG1 3.3Å; H59-T79 WeakPolarHBondContact CB-OG1 3.19Å; H59-T79 PolarHBondContact N-OG1 2.74Å; H59-T79 PolarHBondContact O-N 3.24Å; H59-F147 HydrophobicContact CB-CD1 3.96Å; H59-F147 HydrophobicContact CB-CE1 3.65Å; H59-C149 VanDerWaalsContact CD2-CB 3.48Å; H59-C149 WeakPolarHBondContact CD2-CB 3.4Å; H59-C149 VanDerWaalsContact CD2-SG 3.54Å; H59-C152 PolarHBondContact NE2-SG 3.48Å; H59-C152 VanDerWaalsContact NE2-SG 3.43Å; H59-M156 HydrophobicContact CB-CE 3.74Å; H59-M156 HydrophobicContact CB-SD 3.63Å; H59-M156 WeakPolarHBondContact ND1-CE 3.46Å
60G98.1Very high96.5Very high0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-157.5-176.7172.700000112.4H42 F43 I76H42-G60 WeakPolarHBondContact CA-O 3.37Å; F43-G60 WeakPolarHBondContact CD1-O 3.43Å; F43-G60 PolarHBondContact N-O 2.88Å; F43-G60 PolarHBondContact O-N 2.85Å; G60-I76 CarbonylContact C-O 3.58Å; G60-I76 WeakPolarHBondContact CA-O 3.22Å
61R97.1Very high96.5Very high74 Ų7436.9 Ų36.928%0.27920%0.201SC..EExtended strand (participates in β ladder)trans-135.5152.6172.764.4175.4-176.71273112.6E40 W41 F43 I76 L78E40-R61 WeakPolarHBondContact OE1-CD 3.29Å; E40-R61 IonicContact OE1-CZ 2.66Å; E40-R61 IonicContact OE1-NE 3.77Å; E40-R61 IonicContact OE1-NH1 2.7Å; E40-R61 PolarHBondContact OE1-NH1 3.44Å; W41-R61 CarbonylContact O-C 3.57Å; W41-R61 WeakPolarHBondContact O-CA 3.38Å; W41-R61 VanDerWaalsContact O-CB 3.29Å; W41-R61 WeakPolarHBondContact O-CB 3.3Å; F43-R61 VanDerWaalsContact CE1-N 3.33Å; R61-I76 HydrophobicContact CG-CB 3.95Å; R61-I76 HydrophobicContact CG-CD1 4.27Å; R61-I76 HydrophobicContact CG-CG2 4.47Å; R61-I76 PolarHBondContact N-O 3.21Å; R61-I76 PolarHBondContact O-N 3.5Å; R61-L78 HydrophobicContact CG-CD1 4.45Å
62I97.3Very high96.4Very high0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-118.8123.3178.7-55.8174.7000107.2E40 W41 F43 L64 P73 S74 I108 L112E40-I62 WeakPolarHBondContact CA-O 3.41Å; W41-I62 HydrophobicContact CB-CB 4.31Å; W41-I62 PolarHBondContact N-O 3.27Å; W41-I62 PolarHBondContact O-N 3.4Å; F43-I62 HydrophobicContact CD1-CD1 4.04Å; F43-I62 HydrophobicContact CD1-CG1 3.64Å; F43-I62 HydrophobicContact CE1-CG1 3.86Å; I62-L64 HydrophobicContact CG2-CD2 4.23Å; I62-L64 HydrophobicContact CG2-CG 4.11Å; I62-P73 HydrophobicContact CG2-CB 3.43Å; I62-P73 VanDerWaalsContact CG2-CB 3.43Å; I62-P73 HydrophobicContact CG2-CG 4.18Å; I62-S74 WeakPolarHBondContact CA-O 3.22Å; I62-I108 HydrophobicContact CD1-CG2 3.79Å; I62-L112 HydrophobicContact CD1-CD2 4.33Å
63V97.2Very high96.3Very high48 Ų4834.9 Ų34.929%0.29119%0.19SC..EExtended strand (participates in β ladder)trans-105.9116.2173.9-177.20000108.3P73 S74 I76V63-P73 WeakPolarHBondContact O-CA 3.06Å; V63-S74 PolarHBondContact N-O 3.27Å; V63-S74 PolarHBondContact O-N 3.44Å; V63-I76 HydrophobicContact CG2-CD1 4.13Å
64L96.8Very high96.1Very high7 Ų735.7 Ų35.74%0.03720%0.196CC..  trans-98.2130.7-173.4-65144.5000109.9L15 F39 W41 I62 Y68 P73 I108L15-L64 HydrophobicContact CD1-CD1 4.19Å; L15-L64 HydrophobicContact CD2-CD1 3.63Å; L15-L64 HydrophobicContact CD2-CD2 4.13Å; L15-L64 HydrophobicContact CD2-CG 4.41Å; F39-L64 HydrophobicContact CB-CB 4.43Å; F39-L64 HydrophobicContact CD1-CB 4.17Å; F39-L64 PolarHBondContact O-N 3.01Å; W41-L64 HydrophobicContact CG-CD1 4.13Å; I62-L64 HydrophobicContact CG2-CD2 4.23Å; I62-L64 HydrophobicContact CG2-CG 4.11Å; L64-Y68 HydrophobicContact CD2-CD1 4.02Å; L64-Y68 HydrophobicContact CD2-CD2 3.47Å; L64-Y68 VanDerWaalsContact CD2-CD2 3.47Å; L64-Y68 HydrophobicContact CD2-CE1 4.17Å; L64-Y68 HydrophobicContact CD2-CE2 3.67Å; L64-Y68 HydrophobicContact CD2-CG 3.68Å; L64-P73 HydrophobicContact CD2-CB 4.11Å; L64-I108 HydrophobicContact CD1-CD1 4.23Å; L64-I108 HydrophobicContact CD2-CD1 4.42Å
65P95.4Very high96Very high27 Ų2732.2 Ų32.218%0.17518%0.177CC..  trans-69.9154.7174.329.3-34.4000111.3E67 Y68 K71 P72P65-E67 PolarHBondContact O-N 3.24Å; P65-E67 VanDerWaalsContact O-N 3.09Å; P65-Y68 VanDerWaalsContact O-CB 3.25Å; P65-Y68 WeakPolarHBondContact O-CB 3.48Å; P65-Y68 PolarHBondContact O-N 3.31Å; P65-K71 HydrophobicContact CB-CB 4.25Å; P65-K71 HydrophobicContact CG-CB 3.59Å; P65-P72 WeakPolarHBondContact CD-O 3.39Å; P65-P72 WeakPolarHBondContact CG-O 3.4Å
66P93.8Very high96Very high100 Ų10030.4 Ų30.465%0.64916%0.158SC*.THydrogen-bonded Turntrans-54.9-26.6173.1-27.136000114.2A11 Y68A11-P66 WeakPolarHBondContact CB-O 3.43Å; P66-Y68 VanDerWaalsContact C-N 3.34Å
67E94.9Very high96Very high85 Ų8530.5 Ų30.540%0.39716%0.159SC..THydrogen-bonded Turntrans-864.7177.5-50.496.2132.700114.1P65 M70 K71P65-E67 PolarHBondContact O-N 3.24Å; P65-E67 VanDerWaalsContact O-N 3.09Å; E67-M70 WeakPolarHBondContact O-CA 3.45Å; E67-M70 VanDerWaalsContact O-CB 3.29Å; E67-M70 WeakPolarHBondContact O-CB 3.29Å; E67-M70 PolarHBondContact O-N 3.49Å; E67-K71 HydrophobicContact CB-CB 4.36Å; E67-K71 HydrophobicContact CB-CD 4.06Å; E67-K71 HydrophobicContact CB-CG 4.08Å; E67-K71 HydrophobicContact CG-CD 4.28Å; E67-K71 PolarHBondContact O-N 2.7Å; E67-K71 WeakPolarHBondContact OE1-CE 3.4Å; E67-K71 IonicContact OE1-NZ 2.8Å; E67-K71 PolarHBondContact OE1-NZ 3.12Å
68Y96Very high96Very high3 Ų332.1 Ų32.11%0.01217%0.167CC..THydrogen-bonded Turntrans-56.3136.2175.1-176.1-94.9000111.2A11 R14 L15 E18 L64 P65 P66 W102 W106A11-Y68 VanDerWaalsContact CA-O 3.23Å; A11-Y68 WeakPolarHBondContact CA-O 3.49Å; A11-Y68 WeakPolarHBondContact CB-O 3.23Å; R14-Y68 HydrophobicContact CG-CD1 4.38Å; R14-Y68 HydrophobicContact CG-CE1 3.91Å; L15-Y68 HydrophobicContact CD2-CD1 3.58Å; L15-Y68 HydrophobicContact CD2-CE1 3.64Å; L15-Y68 HydrophobicContact CG-CD1 4.01Å; L15-Y68 HydrophobicContact CG-CE1 4.41Å; E18-Y68 PolarHBondContact OE1-OH 3.15Å; L64-Y68 HydrophobicContact CD2-CD1 4.02Å; L64-Y68 HydrophobicContact CD2-CD2 3.47Å; L64-Y68 VanDerWaalsContact CD2-CD2 3.47Å; L64-Y68 HydrophobicContact CD2-CE1 4.17Å; L64-Y68 HydrophobicContact CD2-CE2 3.67Å; L64-Y68 HydrophobicContact CD2-CG 3.68Å; P65-Y68 VanDerWaalsContact O-CB 3.25Å; P65-Y68 WeakPolarHBondContact O-CB 3.48Å; P65-Y68 PolarHBondContact O-N 3.31Å; P66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-W102 HydrophobicContact CE2-CH2 4.09Å; Y68-W102 AromaticContact CE2-CZ2 3.77Å; Y68-W102 HydrophobicContact CE2-CZ2 3.77Å; Y68-W106 PolarHBondContact OH-O 2.95Å
69P94.9Very high95.9Very high14 Ų1432.1 Ų32.19%0.09117%0.167CC..THydrogen-bonded Turncis-90.78.6637.5-36.7000114.9R14 K71 W102 P104R14-P69 HydrophobicContact CG-CG 4.22Å; P69-K71 VanDerWaalsContact C-N 3.27Å; P69-K71 PolarHBondContact O-N 2.82Å; P69-W102 PolarHBondContact O-NE1 2.97Å; P69-P104 HydrophobicContact CB-CB 4.29Å; P69-P104 HydrophobicContact CG-CB 4.28Å; P69-P104 VanDerWaalsContact O-CA 3.32Å; P69-P104 WeakPolarHBondContact O-CA 3.46Å; P69-P104 WeakPolarHBondContact O-CB 3.48Å
70M94.3Very high95.9Very high136 Ų13635.1 Ų35.167%0.6719%0.187SC*.THydrogen-bonded Turntrans-70.7-23.5179.5-59.1-61.2160.700113E67 P104E67-M70 WeakPolarHBondContact O-CA 3.45Å; E67-M70 VanDerWaalsContact O-CB 3.29Å; E67-M70 WeakPolarHBondContact O-CB 3.29Å; E67-M70 PolarHBondContact O-N 3.49Å; M70-P104 HydrophobicContact CE-CB 4.3Å; M70-P104 HydrophobicContact SD-CB 3.88Å; M70-P104 HydrophobicContact SD-CG 3.71Å
71K92.9Very high95.9Very high102 Ų10235.2 Ų35.244%0.44319%0.187SC..SBendtrans-115142.1167-69.6-177-176.9173.10110.7P65 E67 P69P65-K71 HydrophobicContact CB-CB 4.25Å; P65-K71 HydrophobicContact CG-CB 3.59Å; E67-K71 HydrophobicContact CB-CB 4.36Å; E67-K71 HydrophobicContact CB-CD 4.06Å; E67-K71 HydrophobicContact CB-CG 4.08Å; E67-K71 HydrophobicContact CG-CD 4.28Å; E67-K71 PolarHBondContact O-N 2.7Å; E67-K71 WeakPolarHBondContact OE1-CE 3.4Å; E67-K71 IonicContact OE1-NZ 2.8Å; E67-K71 PolarHBondContact OE1-NZ 3.12Å; P69-K71 VanDerWaalsContact C-N 3.27Å; P69-K71 PolarHBondContact O-N 2.82Å
72P93.1Very high95.8Very high12 Ų1231.8 Ų31.88%0.07818%0.175CC..PPolyproline II helixtrans-64.1157.4176.225.9-37.4000113.6P65 G96 P99 W102P65-P72 WeakPolarHBondContact CD-O 3.39Å; P65-P72 WeakPolarHBondContact CG-O 3.4Å; P72-G96 VanDerWaalsContact CG-CA 3.42Å; P72-P99 HydrophobicContact CG-CB 4.45Å; P72-W102 HydrophobicContact CB-CB 3.89Å; P72-W102 HydrophobicContact CB-CD2 3.58Å; P72-W102 HydrophobicContact CB-CE3 3.76Å; P72-W102 HydrophobicContact CB-CG 3.6Å; P72-W102 HydrophobicContact CG-CB 4.07Å; P72-W102 HydrophobicContact CG-CG 4.1Å
73P95.4Very high95.7Very high3 Ų332.2 Ų32.22%0.01918%0.177CC..PPolyproline II helixtrans-72.8162.5170.230.6-34000113.3I62 V63 L64 G96 W102I62-P73 HydrophobicContact CG2-CB 3.43Å; I62-P73 VanDerWaalsContact CG2-CB 3.43Å; I62-P73 HydrophobicContact CG2-CG 4.18Å; V63-P73 WeakPolarHBondContact O-CA 3.06Å; L64-P73 HydrophobicContact CD2-CB 4.11Å; P73-G96 PolarHBondContact O-N 2.91Å; P73-W102 HydrophobicContact CG-CZ3 4.47Å
74S94.6Very high95.5Very high20 Ų2030.3 Ų30.314%0.1417%0.165CC..EExtended strand (participates in β ladder)trans-93.7133.4157.1-60.60000109.6I62 V63 K89I62-S74 WeakPolarHBondContact CA-O 3.22Å; V63-S74 PolarHBondContact N-O 3.27Å; V63-S74 PolarHBondContact O-N 3.44Å; S74-K89 WeakPolarHBondContact OG-CE 3.31Å; S74-K89 PolarHBondContact OG-NZ 3.29Å
75I95Very high95.4Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-113.2135.9-180-61.5157.1000108.7F43 L77 K89 I90 I94 I115F43-I75 HydrophobicContact CE1-CG2 4.15Å; F43-I75 HydrophobicContact CZ-CG2 4.1Å; I75-L77 HydrophobicContact CG2-CD2 4.31Å; I75-K89 WeakPolarHBondContact O-CA 3.5Å; I75-I90 HydrophobicContact CB-CD1 4.18Å; I75-I90 HydrophobicContact CB-CG1 3.92Å; I75-I90 HydrophobicContact CG2-CD1 3.71Å; I75-I90 HydrophobicContact CG2-CG1 3.96Å; I75-I90 PolarHBondContact O-N 2.59Å; I75-I94 HydrophobicContact CD1-CD1 3.55Å; I75-I94 HydrophobicContact CD1-CG1 3.88Å; I75-I115 HydrophobicContact CD1-CD1 4.15Å; I75-I115 HydrophobicContact CD1-CG1 4.41Å; I75-I115 HydrophobicContact CG2-CD1 3.73Å; I75-I115 HydrophobicContact CG2-CG1 4.44Å
76I95.9Very high95.5Very high2 Ų235 Ų351%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-132.6129.8178.6-61.895.7000109G60 R61 V63 L78 G87 K88 K89G60-I76 CarbonylContact C-O 3.58Å; G60-I76 WeakPolarHBondContact CA-O 3.22Å; R61-I76 HydrophobicContact CG-CB 3.95Å; R61-I76 HydrophobicContact CG-CD1 4.27Å; R61-I76 HydrophobicContact CG-CG2 4.47Å; R61-I76 PolarHBondContact N-O 3.21Å; R61-I76 PolarHBondContact O-N 3.5Å; V63-I76 HydrophobicContact CG2-CD1 4.13Å; I76-L78 HydrophobicContact CG2-CD2 4.15Å; I76-G87 VanDerWaalsContact CG2-C 3.45Å; I76-K88 WeakPolarHBondContact CA-O 3.49Å; I76-K89 HydrophobicContact CD1-CG 4.34Å; I76-K89 HydrophobicContact CG1-CG 4.24Å
77L97.3Very high95.5Very high2 Ų232.4 Ų32.41%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-88.4141.8169.7-85.5-66.6000110.1F43 I75 F84 V86 G87 I90F43-L77 HydrophobicContact CE2-CD1 4.44Å; F43-L77 HydrophobicContact CZ-CD1 4.32Å; F43-L77 HydrophobicContact CZ-CD2 4.3Å; I75-L77 HydrophobicContact CG2-CD2 4.31Å; L77-F84 HydrophobicContact CB-CB 4.41Å; L77-F84 HydrophobicContact CD2-CD2 4.18Å; L77-F84 HydrophobicContact CG-CB 4.39Å; L77-F84 HydrophobicContact CG-CD2 4.21Å; L77-V86 WeakPolarHBondContact O-CA 3.28Å; L77-G87 PolarHBondContact O-N 3.38Å; L77-I90 HydrophobicContact CD2-CD1 3.96Å
78L97.9Very high95.5Very high36 Ų3633 Ų3319%0.18818%0.181CC..  trans-112.1-29.8-179.9-62.7177.5000111.9H59 R61 I76 V86 F147H59-L78 PolarHBondContact O-N 3.29Å; R61-L78 HydrophobicContact CG-CD1 4.45Å; I76-L78 HydrophobicContact CG2-CD2 4.15Å; L78-V86 WeakPolarHBondContact O-CG1 3.5Å; L78-F147 HydrophobicContact CB-CZ 4.08Å; L78-F147 WeakPolarHBondContact O-CE2 3.28Å
79T98.4Very high95.3Very high1 Ų138 Ų381%0.00620%0.202CC..SBendtrans-85.2129.2175.9-51.80000111.6Y58 H59 N81 F147Y58-T79 HydrophobicContact CD1-CG2 4.24Å; H59-T79 VanDerWaalsContact CB-OG1 3.3Å; H59-T79 WeakPolarHBondContact CB-OG1 3.19Å; H59-T79 PolarHBondContact N-OG1 2.74Å; H59-T79 PolarHBondContact O-N 3.24Å; T79-N81 PolarHBondContact O-N 3.44Å; T79-N81 PolarHBondContact O-ND2 3.48Å; T79-F147 HydrophobicContact CG2-CB 3.92Å; T79-F147 HydrophobicContact CG2-CD1 4.48Å; T79-F147 HydrophobicContact CG2-CD2 4.11Å; T79-F147 HydrophobicContact CG2-CG 3.92Å; T79-F147 VanDerWaalsContact OG1-CD1 3.23Å; T79-F147 WeakPolarHBondContact OG1-CD1 3.39Å; T79-F147 WeakPolarHBondContact OG1-CE1 3.42Å; T79-F147 WeakPolarHBondContact OG1-CG 3.38Å
80P98.1Very high94.9Very high65 Ų6537.3 Ų37.342%0.42220%0.198SC..  trans-56.9129.3173.4-2635.2000112.4V86 L140P80-V86 HydrophobicContact CB-CG2 4.43Å; P80-V86 HydrophobicContact CG-CG2 4.21Å; P80-L140 HydrophobicContact CB-CD2 4.18Å
81N97.4Very high94Very high3 Ų332 Ų322%0.01617%0.174CC..  trans-142.5-8.6-169.160.474.7000114.3F53 Y58 T79 R83 F84F53-N81 WeakPolarHBondContact CE1-O 3.3Å; Y58-N81 HydrophobicContact CD1-CB 3.64Å; Y58-N81 HydrophobicContact CE1-CB 3.59Å; T79-N81 PolarHBondContact O-N 3.44Å; T79-N81 PolarHBondContact O-ND2 3.48Å; N81-R83 PolarHBondContact O-N 2.91Å; N81-R83 WeakPolarHBondContact OD1-CA 3.31Å; N81-R83 VanDerWaalsContact OD1-CB 3.31Å; N81-R83 WeakPolarHBondContact OD1-CB 3.43Å; N81-R83 PolarHBondContact OD1-N 3.2Å; N81-F84 PolarHBondContact ND2-O 3.45Å; N81-F84 PolarHBondContact OD1-N 3.3Å; N81-F84 PolarHBondContact OD1-O 2.92Å
82G95.6Very high93.2Very high2 Ų227.8 Ų27.82%0.02116%0.156CC..SBendtrans70.112.1177.500000114.9L130 Y132 R137 L140G82-L130 VanDerWaalsContact O-O 3.06Å; G82-Y132 WeakPolarHBondContact O-CB 3.1Å; G82-Y132 PolarHBondContact O-N 2.99Å; G82-R137 PolarHBondContact O-NE 2.91Å; G82-R137 PolarHBondContact O-NH2 2.7Å; G82-L140 VanDerWaalsContact N-CD1 3.34Å
83R94.2Very high92Very high9 Ų927.7 Ų27.73%0.03416%0.156CC..SBendtrans-124.6-41.5-179.6165.761.1-170.6-172.9-8.4112.6F53 N81 T121 K122 S129 L130F53-R83 HydrophobicContact CE1-CB 3.55Å; F53-R83 HydrophobicContact CE1-CG 4.29Å; F53-R83 HydrophobicContact CZ-CB 3.64Å; F53-R83 HydrophobicContact CZ-CG 4.1Å; N81-R83 PolarHBondContact O-N 2.91Å; N81-R83 WeakPolarHBondContact OD1-CA 3.31Å; N81-R83 VanDerWaalsContact OD1-CB 3.31Å; N81-R83 WeakPolarHBondContact OD1-CB 3.43Å; N81-R83 PolarHBondContact OD1-N 3.2Å; R83-T121 PolarHBondContact NH1-O 3.4Å; R83-T121 PolarHBondContact NH2-O 3.29Å; R83-T121 PolarHBondContact NH2-OG1 3.2Å; R83-K122 PolarHBondContact NH1-O 3.07Å; R83-K122 PolarHBondContact NH2-O 2.82Å; R83-S129 CarbonylContact O-C 3.59Å; R83-S129 WeakPolarHBondContact O-CA 3.24Å; R83-L130 PolarHBondContact O-N 2.9Å
84F94.3Very high90.7Very high8 Ų827.6 Ų27.64%0.03516%0.155CC..BIsolated β-bridgetrans-125.2134.8179.4-60-61.1000109.7L77 N81 V86 I90 L92 M119 G128L77-F84 HydrophobicContact CB-CB 4.41Å; L77-F84 HydrophobicContact CD2-CD2 4.18Å; L77-F84 HydrophobicContact CG-CB 4.39Å; L77-F84 HydrophobicContact CG-CD2 4.21Å; N81-F84 PolarHBondContact ND2-O 3.45Å; N81-F84 PolarHBondContact OD1-N 3.3Å; N81-F84 PolarHBondContact OD1-O 2.92Å; F84-V86 PolarHBondContact O-N 2.87Å; F84-I90 HydrophobicContact CB-CG2 3.8Å; F84-I90 HydrophobicContact CD1-CB 4.04Å; F84-I90 HydrophobicContact CD1-CD1 4.37Å; F84-I90 HydrophobicContact CD1-CG2 3.61Å; F84-I90 HydrophobicContact CE1-CB 4.33Å; F84-I90 HydrophobicContact CE1-CD1 4.22Å; F84-I90 HydrophobicContact CE1-CG2 4.36Å; F84-I90 HydrophobicContact CE2-CD1 4.38Å; F84-I90 HydrophobicContact CG-CG2 3.79Å; F84-I90 HydrophobicContact CZ-CD1 4.23Å; F84-L92 HydrophobicContact CE1-CD2 4.4Å; F84-L92 HydrophobicContact CZ-CD2 4.31Å; F84-M119 HydrophobicContact CE2-CG 4.19Å; F84-G128 CarbonylContact C-O 3.46Å; F84-G128 VanDerWaalsContact CA-O 3.25Å; F84-G128 WeakPolarHBondContact CA-O 3.5Å
85E94.4Very high89.4Confident68 Ų6826.6 Ų26.632%0.31815%0.148SC..  trans-69.4125.8176.6-163.2-178.7159.500110.7K88 G128 L130E85-K88 HydrophobicContact CB-CD 4.38Å; E85-K88 HydrophobicContact CG-CD 4.25Å; E85-K88 HydrophobicContact CG-CG 4.49Å; E85-K88 PolarHBondContact O-N 3.26Å; E85-K88 WeakPolarHBondContact OE1-CE 3.39Å; E85-K88 IonicContact OE1-NZ 3.27Å; E85-K88 PolarHBondContact OE1-NZ 2.83Å; E85-K88 VanDerWaalsContact OE2-CD 3.29Å; E85-K88 WeakPolarHBondContact OE2-CD 3.4Å; E85-K88 VanDerWaalsContact OE2-CE 3.3Å; E85-K88 WeakPolarHBondContact OE2-CE 3.49Å; E85-K88 IonicContact OE2-NZ 2.73Å; E85-K88 PolarHBondContact OE2-NZ 3.19Å; E85-G128 PolarHBondContact N-O 3.09Å; E85-L130 HydrophobicContact CB-CD1 4.32Å; E85-L130 HydrophobicContact CB-CD2 4.48Å; E85-L130 HydrophobicContact CB-CG 4.31Å
86V96.4Very high87.6Confident65 Ų6528.3 Ų28.339%0.39417%0.166SC..THydrogen-bonded Turntrans-63.5137.7-175.51680000111L77 L78 P80 F84 K88L77-V86 WeakPolarHBondContact O-CA 3.28Å; L78-V86 WeakPolarHBondContact O-CG1 3.5Å; P80-V86 HydrophobicContact CB-CG2 4.43Å; P80-V86 HydrophobicContact CG-CG2 4.21Å; F84-V86 PolarHBondContact O-N 2.87Å; V86-K88 PolarHBondContact O-N 2.86Å
87G95.1Very high85.9Confident44 Ų4431.7 Ų31.745%0.45418%0.181SC..THydrogen-bonded Turntrans79.1-12.2177.500000115.2I76 L77I76-G87 VanDerWaalsContact CG2-C 3.45Å; L77-G87 PolarHBondContact O-N 3.38Å
88K93.3Very high84.5Confident99 Ų9935.6 Ų35.643%0.4320%0.199SC..SBendtrans-89.9155.7175.8-67.4-165.4-175.3162.30112.4I76 E85 V86I76-K88 WeakPolarHBondContact CA-O 3.49Å; E85-K88 HydrophobicContact CB-CD 4.38Å; E85-K88 HydrophobicContact CG-CD 4.25Å; E85-K88 HydrophobicContact CG-CG 4.49Å; E85-K88 PolarHBondContact O-N 3.26Å; E85-K88 WeakPolarHBondContact OE1-CE 3.39Å; E85-K88 IonicContact OE1-NZ 3.27Å; E85-K88 PolarHBondContact OE1-NZ 2.83Å; E85-K88 VanDerWaalsContact OE2-CD 3.29Å; E85-K88 WeakPolarHBondContact OE2-CD 3.4Å; E85-K88 VanDerWaalsContact OE2-CE 3.3Å; E85-K88 WeakPolarHBondContact OE2-CE 3.49Å; E85-K88 IonicContact OE2-NZ 2.73Å; E85-K88 PolarHBondContact OE2-NZ 3.19Å; V86-K88 PolarHBondContact O-N 2.86Å
89K91.8Very high82.9Confident106 Ų10637.8 Ų37.846%0.46122%0.216SC..BIsolated β-bridgetrans-70.1131.9168.4-63.3-172.6179.4-162.90109S74 I75 I76S74-K89 WeakPolarHBondContact OG-CE 3.31Å; S74-K89 PolarHBondContact OG-NZ 3.29Å; I75-K89 WeakPolarHBondContact O-CA 3.5Å; I76-K89 HydrophobicContact CD1-CG 4.34Å; I76-K89 HydrophobicContact CG1-CG 4.24Å
90I87.1Confident81.6Confident1 Ų143.6 Ų43.61%0.00524%0.243CC..PPolyproline II helixtrans-92.6138.9176.166.8173.6000110.9I75 L77 F84 L92 S95I75-I90 HydrophobicContact CB-CD1 4.18Å; I75-I90 HydrophobicContact CB-CG1 3.92Å; I75-I90 HydrophobicContact CG2-CD1 3.71Å; I75-I90 HydrophobicContact CG2-CG1 3.96Å; I75-I90 PolarHBondContact O-N 2.59Å; L77-I90 HydrophobicContact CD2-CD1 3.96Å; F84-I90 HydrophobicContact CB-CG2 3.8Å; F84-I90 HydrophobicContact CD1-CB 4.04Å; F84-I90 HydrophobicContact CD1-CD1 4.37Å; F84-I90 HydrophobicContact CD1-CG2 3.61Å; F84-I90 HydrophobicContact CE1-CB 4.33Å; F84-I90 HydrophobicContact CE1-CD1 4.22Å; F84-I90 HydrophobicContact CE1-CG2 4.36Å; F84-I90 HydrophobicContact CE2-CD1 4.38Å; F84-I90 HydrophobicContact CG-CG2 3.79Å; F84-I90 HydrophobicContact CZ-CD1 4.23Å; I90-L92 HydrophobicContact CD1-CD1 3.56Å; I90-L92 HydrophobicContact CD1-CG 3.97Å; I90-L92 HydrophobicContact CG1-CD1 4.32Å; I90-L92 HydrophobicContact CG1-CG 4.29Å; I90-S95 WeakPolarHBondContact O-CB 3.39Å; I90-S95 PolarHBondContact O-OG 2.93Å
91C76.4Confident80.7Confident24 Ų2441.1 Ų41.116%0.16223%0.226CC..  trans-84.2108168.3-70.20000110.7H97 I127C91-H97 HydrophobicContact CB-CB 4.13Å; C91-H97 WeakPolarHBondContact SG-CB 3.44Å; C91-H97 VanDerWaalsContact SG-CD2 3.57Å; C91-H97 PolarHBondContact SG-ND1 3.04Å; C91-I127 PolarHBondContact N-O 3.04Å
92L76.1Confident80.2Confident13 Ų1341.8 Ų41.87%0.06823%0.229CC..  trans-129160.9163.9-61.9176.3000109.4F84 I90 I94 S95 I115 F118F84-L92 HydrophobicContact CE1-CD2 4.4Å; F84-L92 HydrophobicContact CZ-CD2 4.31Å; I90-L92 HydrophobicContact CD1-CD1 3.56Å; I90-L92 HydrophobicContact CD1-CG 3.97Å; I90-L92 HydrophobicContact CG1-CD1 4.32Å; I90-L92 HydrophobicContact CG1-CG 4.29Å; L92-I94 HydrophobicContact CB-CD1 4.46Å; L92-I94 HydrophobicContact CB-CG1 3.63Å; L92-I94 HydrophobicContact CD1-CD1 3.87Å; L92-I94 HydrophobicContact CD1-CG1 3.97Å; L92-I94 HydrophobicContact CG-CG1 4.48Å; L92-I94 PolarHBondContact O-N 2.91Å; L92-I94 VanDerWaalsContact O-N 3.11Å; L92-S95 PolarHBondContact N-OG 3.24Å; L92-S95 WeakPolarHBondContact O-CB 3.28Å; L92-S95 PolarHBondContact O-N 2.76Å; L92-S95 PolarHBondContact O-OG 3.04Å; L92-I115 HydrophobicContact CD1-CG1 4.26Å; L92-F118 HydrophobicContact CD1-CB 4.37Å; L92-F118 HydrophobicContact CD1-CD2 4.08Å; L92-F118 HydrophobicContact CD1-CG 4.49Å; L92-F118 HydrophobicContact CD2-CB 3.95Å; L92-F118 HydrophobicContact CD2-CD1 4.33Å; L92-F118 HydrophobicContact CD2-CD2 4.07Å; L92-F118 HydrophobicContact CD2-CG 3.89Å; L92-F118 HydrophobicContact CG-CD2 4.5Å
93S67.8Low79.9Confident11 Ų1145.7 Ų45.78%0.07725%0.247CC..THydrogen-bonded Turntrans-64.7-11.3173.247.30000114.1T101 I183S93-T101 WeakPolarHBondContact CA-OG1 3.31Å; S93-T101 PolarHBondContact O-OG1 3.18Å; S93-I183 WeakPolarHBondContact OG-CG2 3.24Å; S93-I183 PolarHBondContact OG-O 2.98Å
94I68.5Low79.8Confident0 Ų047.6 Ų47.60%026%0.26CS..THydrogen-bonded Turntrans-89.1-2.4168.561167.5000114.3I75 L92 W102 W106 A111 A114 I115 I183I75-I94 HydrophobicContact CD1-CD1 3.55Å; I75-I94 HydrophobicContact CD1-CG1 3.88Å; L92-I94 HydrophobicContact CB-CD1 4.46Å; L92-I94 HydrophobicContact CB-CG1 3.63Å; L92-I94 HydrophobicContact CD1-CD1 3.87Å; L92-I94 HydrophobicContact CD1-CG1 3.97Å; L92-I94 HydrophobicContact CG-CG1 4.48Å; L92-I94 PolarHBondContact O-N 2.91Å; L92-I94 VanDerWaalsContact O-N 3.11Å; I94-W102 WeakPolarHBondContact O-CZ3 3.43Å; I94-W106 HydrophobicContact CG2-CE3 4.22Å; I94-W106 HydrophobicContact CG2-CZ3 4.14Å; I94-A111 HydrophobicContact CD1-CB 4.14Å; I94-A111 WeakPolarHBondContact CD1-O 3.5Å; I94-A114 HydrophobicContact CD1-CB 3.89Å; I94-A114 HydrophobicContact CG2-CB 3.76Å; I94-I115 HydrophobicContact CD1-CG1 3.92Å; I94-I183 HydrophobicContact CG2-CD1 4.05Å; I94-I183 HydrophobicContact CG2-CG2 3.75Å
95S65.9Low79.7Confident0 Ų050.9 Ų50.90%028%0.284CS..SBendtrans-112.8161.3-17079.10000112.3I90 L92 H97 H98I90-S95 WeakPolarHBondContact O-CB 3.39Å; I90-S95 PolarHBondContact O-OG 2.93Å; L92-S95 PolarHBondContact N-OG 3.24Å; L92-S95 WeakPolarHBondContact O-CB 3.28Å; L92-S95 PolarHBondContact O-N 2.76Å; L92-S95 PolarHBondContact O-OG 3.04Å; S95-H97 PolarHBondContact O-N 3.07Å; S95-H98 PolarHBondContact O-N 3.17Å
96G58.3Low79.6Confident36 Ų3647.9 Ų47.937%0.37127%0.269SS..THydrogen-bonded Turntrans-65.610.6179.100000118.1P72 P73P72-G96 VanDerWaalsContact CG-CA 3.42Å; P73-G96 PolarHBondContact O-N 2.91Å
97H59Low79.5Confident73 Ų7345.6 Ų45.634%0.33826%0.256SS..THydrogen-bonded Turntrans-86.9-19169-70.8-84.1000113.4C91 S95C91-H97 HydrophobicContact CB-CB 4.13Å; C91-H97 WeakPolarHBondContact SG-CB 3.44Å; C91-H97 VanDerWaalsContact SG-CD2 3.57Å; C91-H97 PolarHBondContact SG-ND1 3.04Å; S95-H97 PolarHBondContact O-N 3.07Å
98H67.9Low79.6Confident84 Ų8443.6 Ų43.639%0.38924%0.236SC..  trans-130.269.6174.3-72.6-74.6000110.7S95 E100 T101 W102S95-H98 PolarHBondContact O-N 3.17Å; H98-E100 WeakPolarHBondContact CA-OE2 3.35Å; H98-E100 WeakPolarHBondContact CB-OE1 3.25Å; H98-E100 IonicContact CE1-OE1 3.64Å; H98-E100 IonicContact CG-OE1 3.86Å; H98-E100 IonicContact ND1-OE1 2.74Å; H98-E100 PolarHBondContact ND1-OE1 3.47Å; H98-E100 PolarHBondContact O-N 3.03Å; H98-E100 VanDerWaalsContact O-N 3.15Å; H98-T101 HydrophobicContact CB-CG2 4.15Å; H98-T101 VanDerWaalsContact CB-OG1 3.28Å; H98-T101 WeakPolarHBondContact CB-OG1 3.37Å; H98-T101 PolarHBondContact O-N 2.84Å; H98-T101 PolarHBondContact O-OG1 3.34Å; H98-W102 PolarHBondContact O-N 3.47Å
99P64.6Low79.8Confident82 Ų8240 Ų4053%0.53222%0.219SC..THydrogen-bonded Turntrans-59.5-24.1-177.926.6-35.9000113.8P72 T101P72-P99 HydrophobicContact CG-CB 4.45Å; P99-T101 VanDerWaalsContact C-N 3.34Å
100E71Confident79.9Confident123 Ų12335.3 Ų35.358%0.57520%0.2SC*.THydrogen-bonded Turntrans-72.3-20.4174.673.8-70.216900114.2H98H98-E100 WeakPolarHBondContact CA-OE2 3.35Å; H98-E100 WeakPolarHBondContact CB-OE1 3.25Å; H98-E100 IonicContact CE1-OE1 3.64Å; H98-E100 IonicContact CG-OE1 3.86Å; H98-E100 IonicContact ND1-OE1 2.74Å; H98-E100 PolarHBondContact ND1-OE1 3.47Å; H98-E100 PolarHBondContact O-N 3.03Å; H98-E100 VanDerWaalsContact O-N 3.15Å
101T78.7Confident80.2Confident12 Ų1235.4 Ų35.47%0.07420%0.2CC..THydrogen-bonded Turntrans-91.5-24.6176.1620000113S93 H98 P99 W106S93-T101 WeakPolarHBondContact CA-OG1 3.31Å; S93-T101 PolarHBondContact O-OG1 3.18Å; H98-T101 HydrophobicContact CB-CG2 4.15Å; H98-T101 VanDerWaalsContact CB-OG1 3.28Å; H98-T101 WeakPolarHBondContact CB-OG1 3.37Å; H98-T101 PolarHBondContact O-N 2.84Å; H98-T101 PolarHBondContact O-OG1 3.34Å; P99-T101 VanDerWaalsContact C-N 3.34Å; T101-W106 WeakPolarHBondContact O-CH2 3.4Å
102W87.3Confident81.2Confident18 Ų1834.2 Ų34.27%0.06819%0.192CC..  trans-63.4143.7178.8175.7-100.8000113Y68 P69 P72 P73 I94 H98 W106Y68-W102 HydrophobicContact CE2-CH2 4.09Å; Y68-W102 AromaticContact CE2-CZ2 3.77Å; Y68-W102 HydrophobicContact CE2-CZ2 3.77Å; P69-W102 PolarHBondContact O-NE1 2.97Å; P72-W102 HydrophobicContact CB-CB 3.89Å; P72-W102 HydrophobicContact CB-CD2 3.58Å; P72-W102 HydrophobicContact CB-CE3 3.76Å; P72-W102 HydrophobicContact CB-CG 3.6Å; P72-W102 HydrophobicContact CG-CB 4.07Å; P72-W102 HydrophobicContact CG-CG 4.1Å; P73-W102 HydrophobicContact CG-CZ3 4.47Å; I94-W102 WeakPolarHBondContact O-CZ3 3.43Å; H98-W102 PolarHBondContact O-N 3.47Å; W102-W106 HydrophobicContact CD2-CE3 4.22Å; W102-W106 HydrophobicContact CE3-CD2 4.49Å; W102-W106 AromaticContact CE3-CE3 3.54Å; W102-W106 HydrophobicContact CE3-CE3 3.54Å; W102-W106 HydrophobicContact CE3-CZ3 4.14Å; W102-W106 HydrophobicContact CH2-CB 3.77Å; W102-W106 HydrophobicContact CZ2-CB 4.23Å; W102-W106 HydrophobicContact CZ3-CB 3.98Å; W102-W106 AromaticContact CZ3-CE3 3.83Å; W102-W106 HydrophobicContact CZ3-CE3 3.83Å
103Q89.8Confident82.1Confident84 Ų8434.6 Ų34.639%0.39319%0.194SC..  trans-123.3132.3170.5-55178.322.100110.8S105 W106Q103-S105 WeakPolarHBondContact CB-OG 3.33Å; Q103-S105 PolarHBondContact O-N 2.71Å; Q103-S105 PolarHBondContact OE1-OG 2.94Å; Q103-W106 HydrophobicContact CB-CD2 4.05Å; Q103-W106 HydrophobicContact CB-CG 4.19Å; Q103-W106 HydrophobicContact CB-CZ2 4.1Å; Q103-W106 HydrophobicContact CG-CD2 4.48Å; Q103-W106 HydrophobicContact CG-CH2 4.32Å; Q103-W106 HydrophobicContact CG-CZ2 3.6Å; Q103-W106 WeakPolarHBondContact O-CB 3.11Å; Q103-W106 PolarHBondContact O-N 2.81Å
104P92.3Very high83.2Confident49 Ų4934.1 Ų34.132%0.31819%0.191SC..THydrogen-bonded Turntrans-63.6-9178.7-24.635.4000115.9R14 P69 M70 W106R14-P104 PolarHBondContact NH1-O 3.35Å; P69-P104 HydrophobicContact CB-CB 4.29Å; P69-P104 HydrophobicContact CG-CB 4.28Å; P69-P104 VanDerWaalsContact O-CA 3.32Å; P69-P104 WeakPolarHBondContact O-CA 3.46Å; P69-P104 WeakPolarHBondContact O-CB 3.48Å; M70-P104 HydrophobicContact CE-CB 4.3Å; M70-P104 HydrophobicContact SD-CB 3.88Å; M70-P104 HydrophobicContact SD-CG 3.71Å; P104-W106 VanDerWaalsContact C-N 3.35Å
105S91.6Very high84.4Confident76 Ų7634.1 Ų34.153%0.53119%0.191SC..THydrogen-bonded Turntrans-68.7-32.9169.148.90000112.1Q103Q103-S105 WeakPolarHBondContact CB-OG 3.33Å; Q103-S105 PolarHBondContact O-N 2.71Å; Q103-S105 PolarHBondContact OE1-OG 2.94Å
106W92.9Very high85.8Confident5 Ų535.5 Ų35.52%0.01920%0.198CC..  trans-67.8136.7-175.3-57.1-5000111R14 Y68 I94 T101 W102 Q103 P104 T110 L179 I183R14-W106 PolarHBondContact NH2-O 3.3Å; Y68-W106 PolarHBondContact OH-O 2.95Å; I94-W106 HydrophobicContact CG2-CE3 4.22Å; I94-W106 HydrophobicContact CG2-CZ3 4.14Å; T101-W106 WeakPolarHBondContact O-CH2 3.4Å; W102-W106 HydrophobicContact CD2-CE3 4.22Å; W102-W106 HydrophobicContact CE3-CD2 4.49Å; W102-W106 AromaticContact CE3-CE3 3.54Å; W102-W106 HydrophobicContact CE3-CE3 3.54Å; W102-W106 HydrophobicContact CE3-CZ3 4.14Å; W102-W106 HydrophobicContact CH2-CB 3.77Å; W102-W106 HydrophobicContact CZ2-CB 4.23Å; W102-W106 HydrophobicContact CZ3-CB 3.98Å; W102-W106 AromaticContact CZ3-CE3 3.83Å; W102-W106 HydrophobicContact CZ3-CE3 3.83Å; Q103-W106 HydrophobicContact CB-CD2 4.05Å; Q103-W106 HydrophobicContact CB-CG 4.19Å; Q103-W106 HydrophobicContact CB-CZ2 4.1Å; Q103-W106 HydrophobicContact CG-CD2 4.48Å; Q103-W106 HydrophobicContact CG-CH2 4.32Å; Q103-W106 HydrophobicContact CG-CZ2 3.6Å; Q103-W106 WeakPolarHBondContact O-CB 3.11Å; Q103-W106 PolarHBondContact O-N 2.81Å; P104-W106 VanDerWaalsContact C-N 3.35Å; W106-T110 HydrophobicContact CB-CG2 4.18Å; W106-T110 HydrophobicContact CG-CG2 4.24Å; W106-L179 HydrophobicContact CG-CD2 4.42Å; W106-I183 HydrophobicContact CD2-CD1 3.72Å; W106-I183 HydrophobicContact CD2-CG1 4.49Å; W106-I183 HydrophobicContact CE3-CD1 3.8Å; W106-I183 HydrophobicContact CG-CD1 4.49Å; W106-I183 HydrophobicContact CH2-CB 4.43Å; W106-I183 HydrophobicContact CH2-CD1 3.71Å; W106-I183 HydrophobicContact CH2-CG1 3.48Å; W106-I183 VanDerWaalsContact CH2-CG1 3.48Å; W106-I183 HydrophobicContact CH2-CG2 4.15Å; W106-I183 HydrophobicContact CZ2-CD1 3.6Å; W106-I183 HydrophobicContact CZ2-CG1 3.42Å; W106-I183 VanDerWaalsContact CZ2-CG1 3.42Å; W106-I183 HydrophobicContact CZ3-CD1 3.8Å; W106-I183 HydrophobicContact CZ3-CG1 4.04Å; W106-I183 HydrophobicContact CZ3-CG2 4.32Å
107S95.1Very high87.4Confident17 Ų1735.5 Ų35.512%0.11920%0.198CC..  trans-103.9173.8179.762.30000111.7E18 R109 T110 A111E18-S107 WeakPolarHBondContact OE1-CB 3.28Å; E18-S107 WeakPolarHBondContact OE2-CB 3.28Å; S107-R109 PolarHBondContact O-N 3.28Å; S107-R109 WeakPolarHBondContact OG-CB 3.46Å; S107-R109 PolarHBondContact OG-N 3.18Å; S107-T110 PolarHBondContact N-OG1 3.26Å; S107-T110 WeakPolarHBondContact O-CB 3.47Å; S107-T110 PolarHBondContact O-N 3.3Å; S107-T110 VanDerWaalsContact O-N 3.13Å; S107-T110 PolarHBondContact OG-N 3.03Å; S107-T110 PolarHBondContact OG-OG1 2.98Å; S107-A111 PolarHBondContact O-N 3.41Å
108I96.9Very high88.8Confident3 Ų332.6 Ų32.62%0.01518%0.184CC..Hα-helixtrans-56.3-39167.5-65.9167.9000109.8L15 E18 L22 A31 W41 I62 L64 T110 A111 L112L15-I108 HydrophobicContact CD2-CD1 4.1Å; E18-I108 VanDerWaalsContact OE2-CB 3.27Å; E18-I108 WeakPolarHBondContact OE2-CB 3.49Å; E18-I108 VanDerWaalsContact OE2-CG1 3.28Å; E18-I108 WeakPolarHBondContact OE2-CG1 3.46Å; E18-I108 PolarHBondContact OE2-N 3.21Å; L22-I108 HydrophobicContact CD1-CB 3.75Å; L22-I108 HydrophobicContact CD1-CG2 3.62Å; A31-I108 HydrophobicContact CB-CG2 4.25Å; W41-I108 HydrophobicContact CD2-CD1 3.72Å; W41-I108 HydrophobicContact CE3-CD1 3.8Å; W41-I108 HydrophobicContact CE3-CG2 4.36Å; W41-I108 HydrophobicContact CG-CD1 4.43Å; W41-I108 HydrophobicContact CH2-CD1 3.62Å; W41-I108 HydrophobicContact CZ2-CD1 3.59Å; W41-I108 HydrophobicContact CZ3-CD1 3.76Å; W41-I108 HydrophobicContact CZ3-CG2 4.42Å; I62-I108 HydrophobicContact CD1-CG2 3.79Å; L64-I108 HydrophobicContact CD1-CD1 4.23Å; L64-I108 HydrophobicContact CD2-CD1 4.42Å; I108-T110 PolarHBondContact O-N 2.95Å; I108-A111 WeakPolarHBondContact O-CB 3.49Å; I108-A111 PolarHBondContact O-N 3.11Å; I108-A111 VanDerWaalsContact O-N 3.14Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.29Å; I108-L112 PolarHBondContact O-N 3.45Å
109R96.5Very high89.9Confident23 Ų2328.8 Ų28.89%0.08717%0.166CC..Hα-helixtrans-54.1-50.8171.7-172.9-173.9-62.1-109.2-5.2111.8E21 L22 Y29 S107 A111 L112 I113 D173 A176E21-R109 IonicContact OE1-CZ 3.9Å; E21-R109 VanDerWaalsContact OE1-CZ 3.27Å; E21-R109 IonicContact OE1-NE 3.14Å; E21-R109 PolarHBondContact OE1-NE 3.37Å; E21-R109 IonicContact OE1-NH2 2.82Å; E21-R109 PolarHBondContact OE1-NH2 3.02Å; L22-R109 HydrophobicContact CD2-CB 4.17Å; Y29-R109 HydrophobicContact CE2-CG 4.41Å; Y29-R109 WeakPolarHBondContact OH-CG 3.43Å; Y29-R109 PolarHBondContact OH-NH1 3.41Å; S107-R109 PolarHBondContact O-N 3.28Å; S107-R109 WeakPolarHBondContact OG-CB 3.46Å; S107-R109 PolarHBondContact OG-N 3.18Å; R109-A111 VanDerWaalsContact C-N 3.3Å; R109-A111 PolarHBondContact O-N 3.11Å; R109-L112 PolarHBondContact O-N 2.92Å; R109-I113 HydrophobicContact CG-CD1 3.96Å; R109-I113 PolarHBondContact O-N 2.78Å; R109-D173 IonicContact CZ-OD1 2.66Å; R109-D173 IonicContact NH1-OD1 3.99Å; R109-D173 PolarHBondContact NH1-OD1 3.13Å; R109-D173 IonicContact NH1-OD2 2.68Å; R109-A176 HydrophobicContact CG-CB 4.31Å
110T94.4Very high91.2Very high8 Ų828 Ų285%0.04916%0.162CC..Hα-helixtrans-58.6-43.1177.2-470000111.3W106 S107 I108 I113 A114 L179 I183W106-T110 HydrophobicContact CB-CG2 4.18Å; W106-T110 HydrophobicContact CG-CG2 4.24Å; S107-T110 PolarHBondContact N-OG1 3.26Å; S107-T110 WeakPolarHBondContact O-CB 3.47Å; S107-T110 PolarHBondContact O-N 3.3Å; S107-T110 VanDerWaalsContact O-N 3.13Å; S107-T110 PolarHBondContact OG-N 3.03Å; S107-T110 PolarHBondContact OG-OG1 2.98Å; I108-T110 PolarHBondContact O-N 2.95Å; T110-I113 PolarHBondContact O-N 2.66Å; T110-A114 VanDerWaalsContact O-CB 3.24Å; T110-A114 WeakPolarHBondContact O-CB 3.09Å; T110-A114 PolarHBondContact O-N 2.83Å; T110-L179 HydrophobicContact CG2-CB 4.35Å; T110-L179 HydrophobicContact CG2-CD2 3.64Å; T110-L179 HydrophobicContact CG2-CG 3.88Å; T110-I183 HydrophobicContact CG2-CD1 4.06Å
111A94.3Very high92Very high2 Ų223.6 Ų23.62%0.01714%0.143CC..Hα-helixtrans-62.6-43.6178.300000112.2I94 S107 I108 R109 A114 I115I94-A111 HydrophobicContact CD1-CB 4.14Å; I94-A111 WeakPolarHBondContact CD1-O 3.5Å; S107-A111 PolarHBondContact O-N 3.41Å; I108-A111 WeakPolarHBondContact O-CB 3.49Å; I108-A111 PolarHBondContact O-N 3.11Å; I108-A111 VanDerWaalsContact O-N 3.14Å; R109-A111 VanDerWaalsContact C-N 3.3Å; R109-A111 PolarHBondContact O-N 3.11Å; A111-A114 PolarHBondContact O-N 3.43Å; A111-I115 VanDerWaalsContact O-CG1 3.26Å; A111-I115 WeakPolarHBondContact O-CG1 3.36Å; A111-I115 PolarHBondContact O-N 2.9Å
112L96.6Very high92.2Very high0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-63.3-46.7177.9-64.2169.8000112.1Y29 A31 F43 V45 I62 I108 R109 A114 I115 I116Y29-L112 HydrophobicContact CD2-CB 4.39Å; Y29-L112 HydrophobicContact CD2-CD1 3.53Å; Y29-L112 HydrophobicContact CE2-CD1 4.23Å; Y29-L112 HydrophobicContact CG-CB 4.18Å; Y29-L112 HydrophobicContact CG-CD1 4.07Å; A31-L112 HydrophobicContact CB-CD1 3.68Å; F43-L112 HydrophobicContact CB-CD2 3.56Å; F43-L112 HydrophobicContact CD1-CD2 4.3Å; F43-L112 HydrophobicContact CD2-CD2 3.5Å; F43-L112 HydrophobicContact CE2-CD2 4.22Å; F43-L112 HydrophobicContact CG-CD2 3.53Å; V45-L112 HydrophobicContact CG1-CB 4.31Å; V45-L112 HydrophobicContact CG1-CD2 4.04Å; I62-L112 HydrophobicContact CD1-CD2 4.33Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.29Å; I108-L112 PolarHBondContact O-N 3.45Å; R109-L112 PolarHBondContact O-N 2.92Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.44Å; L112-I115 WeakPolarHBondContact O-CB 3.38Å; L112-I115 PolarHBondContact O-N 3.01Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 2.91Å
113I94.6Very high91.7Very high21 Ų2130.1 Ų30.111%0.10817%0.172CC..Hα-helixtrans-66.5-35178.5-69.9168.8000111.2Y29 R109 T110 I116 G117 D173 A176 K177 A180Y29-I113 HydrophobicContact CD1-CG1 4.16Å; Y29-I113 HydrophobicContact CE1-CD1 3.92Å; Y29-I113 HydrophobicContact CE1-CG1 3.87Å; R109-I113 HydrophobicContact CG-CD1 3.96Å; R109-I113 PolarHBondContact O-N 2.78Å; T110-I113 PolarHBondContact O-N 2.66Å; I113-I116 PolarHBondContact O-N 2.94Å; I113-G117 PolarHBondContact O-N 2.9Å; I113-D173 HydrophobicContact CD1-CB 4.39Å; I113-A176 HydrophobicContact CD1-CB 3.56Å; I113-K177 HydrophobicContact CG2-CB 4.15Å; I113-A180 HydrophobicContact CG2-CB 4.02Å
114A92.3Very high91Very high0 Ų032.6 Ų32.60%018%0.184CC..Hα-helixtrans-67.2-41.2171.700000112.6I94 T110 A111 L112 I116 G117 F118 A180I94-A114 HydrophobicContact CD1-CB 3.89Å; I94-A114 HydrophobicContact CG2-CB 3.76Å; T110-A114 VanDerWaalsContact O-CB 3.24Å; T110-A114 WeakPolarHBondContact O-CB 3.09Å; T110-A114 PolarHBondContact O-N 2.83Å; A111-A114 PolarHBondContact O-N 3.43Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.44Å; A114-I116 VanDerWaalsContact C-N 3.28Å; A114-I116 PolarHBondContact O-N 2.81Å; A114-G117 CarbonylContact O-C 3.57Å; A114-G117 PolarHBondContact O-N 2.85Å; A114-G117 VanDerWaalsContact O-N 3.14Å; A114-F118 HydrophobicContact CB-CD2 4.21Å; A114-F118 HydrophobicContact CB-CE2 4.24Å; A114-F118 WeakPolarHBondContact O-CB 3.42Å; A114-F118 WeakPolarHBondContact O-CD2 3.11Å; A114-F118 PolarHBondContact O-N 2.92Å; A114-A180 HydrophobicContact CB-CB 3.94Å
115I93.4Very high89.9Confident0 Ų033.5 Ų33.50%020%0.202CC..Hα-helixtrans-55.9-44.8172.7-68.9161.1000110.5F43 V45 I75 L92 I94 A111 L112 F118 M119F43-I115 HydrophobicContact CE1-CD1 4.5Å; F43-I115 HydrophobicContact CE2-CD1 4.09Å; F43-I115 HydrophobicContact CZ-CD1 3.84Å; V45-I115 HydrophobicContact CG2-CG2 4.27Å; I75-I115 HydrophobicContact CD1-CD1 4.15Å; I75-I115 HydrophobicContact CD1-CG1 4.41Å; I75-I115 HydrophobicContact CG2-CD1 3.73Å; I75-I115 HydrophobicContact CG2-CG1 4.44Å; L92-I115 HydrophobicContact CD1-CG1 4.26Å; I94-I115 HydrophobicContact CD1-CG1 3.92Å; A111-I115 VanDerWaalsContact O-CG1 3.26Å; A111-I115 WeakPolarHBondContact O-CG1 3.36Å; A111-I115 PolarHBondContact O-N 2.9Å; L112-I115 WeakPolarHBondContact O-CB 3.38Å; L112-I115 PolarHBondContact O-N 3.01Å; I115-F118 PolarHBondContact O-N 2.87Å; I115-M119 HydrophobicContact CG2-CE 4.5Å; I115-M119 PolarHBondContact O-N 2.71Å
116I94.6Very high89.1Confident29 Ų2931.9 Ų31.915%0.14919%0.193CC..Hα-helixtrans-58.5-50.5175.1-65.5169.4000110.3H28 Y29 V45 P48 L112 I113 A114 F118 M119 P120H28-I116 HydrophobicContact CB-CD1 4.34Å; Y29-I116 HydrophobicContact CD1-CD1 4.49Å; V45-I116 HydrophobicContact CB-CD1 4.12Å; V45-I116 HydrophobicContact CB-CG1 3.84Å; V45-I116 HydrophobicContact CG1-CD1 4.05Å; V45-I116 HydrophobicContact CG1-CG1 3.96Å; P48-I116 HydrophobicContact CG-CG2 3.82Å; P48-I116 WeakPolarHBondContact CG-O 3.17Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 2.91Å; I113-I116 PolarHBondContact O-N 2.94Å; A114-I116 VanDerWaalsContact C-N 3.28Å; A114-I116 PolarHBondContact O-N 2.81Å; I116-F118 VanDerWaalsContact C-N 3.29Å; I116-F118 PolarHBondContact O-N 3.06Å; I116-M119 HydrophobicContact CG1-CE 4.34Å; I116-M119 PolarHBondContact O-N 2.92Å; I116-P120 WeakPolarHBondContact O-CD 3.44Å
117G90.9Very high88.2Confident36 Ų3637.1 Ų37.137%0.37122%0.22SC..Hα-helixtrans-65.6-23.2178.400000115.7I113 A114I113-G117 PolarHBondContact O-N 2.9Å; A114-G117 CarbonylContact O-C 3.57Å; A114-G117 PolarHBondContact O-N 2.85Å; A114-G117 VanDerWaalsContact O-N 3.14Å
118F88.9Confident87.5Confident13 Ų1336.7 Ų36.76%0.05722%0.219CC..Hα-helixtrans-92.6-16.2179-79.8-60.2000114.5L92 A114 I115 I116 T121 I183 K184 A187L92-F118 HydrophobicContact CD1-CB 4.37Å; L92-F118 HydrophobicContact CD1-CD2 4.08Å; L92-F118 HydrophobicContact CD1-CG 4.49Å; L92-F118 HydrophobicContact CD2-CB 3.95Å; L92-F118 HydrophobicContact CD2-CD1 4.33Å; L92-F118 HydrophobicContact CD2-CD2 4.07Å; L92-F118 HydrophobicContact CD2-CG 3.89Å; L92-F118 HydrophobicContact CG-CD2 4.5Å; A114-F118 HydrophobicContact CB-CD2 4.21Å; A114-F118 HydrophobicContact CB-CE2 4.24Å; A114-F118 WeakPolarHBondContact O-CB 3.42Å; A114-F118 WeakPolarHBondContact O-CD2 3.11Å; A114-F118 PolarHBondContact O-N 2.92Å; I115-F118 PolarHBondContact O-N 2.87Å; I116-F118 VanDerWaalsContact C-N 3.29Å; I116-F118 PolarHBondContact O-N 3.06Å; F118-T121 HydrophobicContact CD1-CG2 4.21Å; F118-T121 PolarHBondContact O-N 3.05Å; F118-T121 PolarHBondContact O-OG1 3.18Å; F118-T121 VanDerWaalsContact O-OG1 3.04Å; F118-I183 HydrophobicContact CE2-CG2 4.07Å; F118-I183 HydrophobicContact CZ-CG2 4.12Å; F118-K184 HydrophobicContact CE1-CB 3.88Å; F118-K184 HydrophobicContact CE1-CG 3.95Å; F118-K184 HydrophobicContact CZ-CB 4Å; F118-A187 HydrophobicContact CE1-CB 4.49Å; F118-A187 HydrophobicContact CZ-CB 4.49Å
119M91.6Very high87.1Confident3 Ų337.6 Ų37.62%0.01523%0.226CC..THydrogen-bonded Turntrans-55.5-46.1177.1-88.9-170.5-8700113V45 F53 Y58 F84 I115 I116 T121V45-M119 HydrophobicContact CG2-CE 3.81Å; F53-M119 HydrophobicContact CB-SD 4.44Å; F53-M119 HydrophobicContact CD1-CB 4.45Å; F53-M119 HydrophobicContact CD1-SD 4.16Å; F53-M119 HydrophobicContact CD2-CB 4.02Å; F53-M119 HydrophobicContact CE2-CB 4.25Å; F53-M119 WeakPolarHBondContact CE2-O 3.41Å; F53-M119 HydrophobicContact CG-CB 4.15Å; F53-M119 HydrophobicContact CG-SD 4.28Å; F53-M119 WeakPolarHBondContact CZ-O 3.41Å; Y58-M119 HydrophobicContact CD2-CE 4.04Å; Y58-M119 HydrophobicContact CD2-SD 3.71Å; Y58-M119 HydrophobicContact CE2-CE 4.49Å; Y58-M119 HydrophobicContact CE2-SD 3.88Å; Y58-M119 HydrophobicContact CG-SD 4.37Å; F84-M119 HydrophobicContact CE2-CG 4.19Å; I115-M119 HydrophobicContact CG2-CE 4.5Å; I115-M119 PolarHBondContact O-N 2.71Å; I116-M119 HydrophobicContact CG1-CE 4.34Å; I116-M119 PolarHBondContact O-N 2.92Å; M119-T121 VanDerWaalsContact C-N 3.32Å; M119-T121 PolarHBondContact O-N 3.22Å
120P91.5Very high86.8Confident67 Ų6738.7 Ų38.744%0.43523%0.233SC..THydrogen-bonded Turntrans-79.50.9-178.4-15.432.7000115.8P48 I116P48-P120 HydrophobicContact CB-CG 4.11Å; P48-P120 HydrophobicContact CG-CG 3.72Å; I116-P120 WeakPolarHBondContact O-CD 3.44Å
121T87.8Confident86.6Confident29 Ų2943.8 Ų43.818%0.17826%0.26CS..SBendtrans-79.7172.4-179.869.40000111.7R83 F118 M119 K184R83-T121 PolarHBondContact NH1-O 3.4Å; R83-T121 PolarHBondContact NH2-O 3.29Å; R83-T121 PolarHBondContact NH2-OG1 3.2Å; F118-T121 HydrophobicContact CD1-CG2 4.21Å; F118-T121 PolarHBondContact O-N 3.05Å; F118-T121 PolarHBondContact O-OG1 3.18Å; F118-T121 VanDerWaalsContact O-OG1 3.04Å; M119-T121 VanDerWaalsContact C-N 3.32Å; M119-T121 PolarHBondContact O-N 3.22Å; T121-K184 HydrophobicContact CG2-CD 4.13Å; T121-K184 VanDerWaalsContact CG2-CE 3.49Å
122K82.6Confident86.6Confident163 Ų16348.6 Ų48.671%0.70928%0.278SS*.  trans-80.3152.9174-68.7-174.7179.2-1800111.7R83 E124R83-K122 PolarHBondContact NH1-O 3.07Å; R83-K122 PolarHBondContact NH2-O 2.82Å; K122-E124 HydrophobicContact CB-CG 3.69Å; K122-E124 WeakPolarHBondContact CB-OE1 3.5Å
123G76.4Confident86.6Confident5 Ų551.6 Ų51.65%0.05230%0.296CS..  trans-87.6-37.5-17100000111.8G125 A126G123-G125 PolarHBondContact O-N 2.88Å; G123-G125 VanDerWaalsContact O-N 3.07Å; G123-A126 VanDerWaalsContact O-CB 3.28Å; G123-A126 WeakPolarHBondContact O-CB 3.46Å; G123-A126 PolarHBondContact O-N 2.95Å
124E76.3Confident86.6Confident136 Ų13653 Ų5364%0.63631%0.307SS*.THydrogen-bonded Turntrans54.331.5168.6-54.2-171.7169.700112.8K122 A126K122-E124 HydrophobicContact CB-CG 3.69Å; K122-E124 WeakPolarHBondContact CB-OE1 3.5Å; E124-A126 VanDerWaalsContact C-N 3.28Å; E124-A126 PolarHBondContact O-N 2.65Å
125G68.1Low86.9Confident67 Ų6758.6 Ų58.669%0.69133%0.333SS*.THydrogen-bonded Turntrans74.510.1179.500000115G123G123-G125 PolarHBondContact O-N 2.88Å; G123-G125 VanDerWaalsContact O-N 3.07Å
126A75.6Confident87.1Confident43 Ų4362.8 Ų62.836%0.35535%0.353SS..  trans-57.7146.3175.800000111.5G123 E124 G128 S129G123-A126 VanDerWaalsContact O-CB 3.28Å; G123-A126 WeakPolarHBondContact O-CB 3.46Å; G123-A126 PolarHBondContact O-N 2.95Å; E124-A126 VanDerWaalsContact C-N 3.28Å; E124-A126 PolarHBondContact O-N 2.65Å; A126-G128 PolarHBondContact O-N 3.29Å; A126-S129 PolarHBondContact N-OG 3.47Å; A126-S129 VanDerWaalsContact O-CB 3.28Å; A126-S129 WeakPolarHBondContact O-CB 3.49Å; A126-S129 PolarHBondContact O-N 2.82Å; A126-S129 PolarHBondContact O-OG 3.42Å
127I73.9Confident87.3Confident114 Ų11462.8 Ų62.859%0.58535%0.351SS*.THydrogen-bonded Turntrans-59.7125.4-176.5-56.1170000109.9C91 S129C91-I127 PolarHBondContact N-O 3.04Å; I127-S129 VanDerWaalsContact C-N 3.33Å
128G80.4Confident87.6Confident9 Ų965.1 Ų65.19%0.09335%0.351CS..THydrogen-bonded Turntrans78.110.3-177.400000114.6F84 E85 A126F84-G128 CarbonylContact C-O 3.46Å; F84-G128 VanDerWaalsContact CA-O 3.25Å; F84-G128 WeakPolarHBondContact CA-O 3.5Å; E85-G128 PolarHBondContact N-O 3.09Å; A126-G128 PolarHBondContact O-N 3.29Å
129S87.8Confident88.1Confident22 Ų2267.8 Ų67.815%0.15437%0.368CS..BIsolated β-bridgetrans-81.6154.4169.767.70000112.5R83 A126 I127R83-S129 CarbonylContact O-C 3.59Å; R83-S129 WeakPolarHBondContact O-CA 3.24Å; A126-S129 PolarHBondContact N-OG 3.47Å; A126-S129 VanDerWaalsContact O-CB 3.28Å; A126-S129 WeakPolarHBondContact O-CB 3.49Å; A126-S129 PolarHBondContact O-N 2.82Å; A126-S129 PolarHBondContact O-OG 3.42Å; I127-S129 VanDerWaalsContact C-N 3.33Å
130L90.7Very high88.4Confident46 Ų4669 Ų6924%0.24138%0.375CS..  trans-135.8138.4177-64.3175.7000110.1G82 R83 E85 Y132 R137G82-L130 VanDerWaalsContact O-O 3.06Å; R83-L130 PolarHBondContact O-N 2.9Å; E85-L130 HydrophobicContact CB-CD1 4.32Å; E85-L130 HydrophobicContact CB-CD2 4.48Å; E85-L130 HydrophobicContact CB-CG 4.31Å; L130-Y132 HydrophobicContact CB-CD1 4.17Å; L130-Y132 HydrophobicContact CB-CE1 4.4Å; L130-Y132 HydrophobicContact CD1-CE1 4.28Å; L130-R137 PolarHBondContact O-NH2 2.99Å
131D89.9Confident88.7Confident114 Ų11465.8 Ų65.861%0.6135%0.354SS*.  trans-109.251.3-176.5-66.5-52.5000112.4
132Y94.8Very high89.2Confident104 Ų10472.1 Ų72.141%0.40838%0.379SS..  trans-67.4155.1173-75.329.2000110.7G82 L130 E136 R137 L140G82-Y132 WeakPolarHBondContact O-CB 3.1Å; G82-Y132 PolarHBondContact O-N 2.99Å; L130-Y132 HydrophobicContact CB-CD1 4.17Å; L130-Y132 HydrophobicContact CB-CE1 4.4Å; L130-Y132 HydrophobicContact CD1-CE1 4.28Å; Y132-E136 HydrophobicContact CD2-CB 4.1Å; Y132-R137 PolarHBondContact O-NE 2.84Å; Y132-R137 PolarHBondContact O-NH1 3Å; Y132-R137 PolarHBondContact O-NH2 3.35Å; Y132-L140 HydrophobicContact CD2-CD1 3.93Å; Y132-L140 HydrophobicContact CE2-CD1 4.1Å
133T95.7Very high90Very high62 Ų6270.7 Ų70.738%0.3837%0.373SS..  trans-65.1156.1177.761.60000112.2E135 E136 R137T133-E135 PolarHBondContact O-N 2.69Å; T133-E136 WeakPolarHBondContact CB-OE2 3.28Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.48Å; T133-E136 PolarHBondContact N-OE2 3.04Å; T133-E136 PolarHBondContact O-N 3.11Å; T133-E136 WeakPolarHBondContact OG1-CB 3.35Å; T133-E136 VanDerWaalsContact OG1-CD 3.25Å; T133-E136 WeakPolarHBondContact OG1-CG 3.49Å; T133-E136 PolarHBondContact OG1-N 3.13Å; T133-E136 PolarHBondContact OG1-OE2 3.03Å; T133-R137 WeakPolarHBondContact O-CG 3.4Å; T133-R137 PolarHBondContact O-N 2.87Å
134P96.1Very high91Very high51 Ų5170.6 Ų70.633%0.33137%0.371SS..Hα-helixtrans-49.8-39.3170.1-31.339.4000113.7D52 R137 K138D52-P134 WeakPolarHBondContact OD1-CB 3.38Å; D52-P134 WeakPolarHBondContact OD2-CA 3.47Å; D52-P134 WeakPolarHBondContact OD2-CB 3.23Å; P134-R137 PolarHBondContact O-N 2.99Å; P134-K138 WeakPolarHBondContact O-CB 3.44Å; P134-K138 WeakPolarHBondContact O-CD 3.42Å; P134-K138 WeakPolarHBondContact O-CG 3.25Å; P134-K138 PolarHBondContact O-N 2.84Å
135E98Very high92.1Very high117 Ų11766.3 Ų66.355%0.54735%0.351SS..Hα-helixtrans-71.2-41.5-177.3-67.958.9-127.300111.8T133 T139T133-E135 PolarHBondContact O-N 2.69Å; E135-T139 WeakPolarHBondContact O-CB 3.18Å; E135-T139 PolarHBondContact O-N 3.08Å; E135-T139 PolarHBondContact O-OG1 2.94Å
136E97.9Very high93.5Very high89 Ų8968 Ų6842%0.41634%0.344SS..Hα-helixtrans-65.5-43.7173.3-72.2166.5132.900111.2Y132 T133 T139 L140Y132-E136 HydrophobicContact CD2-CB 4.1Å; T133-E136 WeakPolarHBondContact CB-OE2 3.28Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.48Å; T133-E136 PolarHBondContact N-OE2 3.04Å; T133-E136 PolarHBondContact O-N 3.11Å; T133-E136 WeakPolarHBondContact OG1-CB 3.35Å; T133-E136 VanDerWaalsContact OG1-CD 3.25Å; T133-E136 WeakPolarHBondContact OG1-CG 3.49Å; T133-E136 PolarHBondContact OG1-N 3.13Å; T133-E136 PolarHBondContact OG1-OE2 3.03Å; E136-T139 CarbonylContact O-C 3.52Å; E136-T139 WeakPolarHBondContact O-CA 3.4Å; E136-T139 WeakPolarHBondContact O-CB 3.45Å; E136-T139 PolarHBondContact O-N 2.9Å; E136-T139 VanDerWaalsContact O-N 3.12Å; E136-L140 WeakPolarHBondContact O-CG 3.4Å; E136-L140 PolarHBondContact O-N 2.89Å
137R98Very high94.5Very high28 Ų2868.3 Ų68.311%0.10634%0.338CS..Hα-helixtrans-60.5-46.1176.1-74.7173176.61574.3111.9D52 F53 G82 L130 Y132 T133 P134 T139 L140 A141D52-R137 HydrophobicContact CB-CB 3.73Å; D52-R137 CarbonylContact O-C 3.43Å; F53-R137 HydrophobicContact CE1-CG 4.36Å; F53-R137 HydrophobicContact CZ-CG 4.38Å; G82-R137 PolarHBondContact O-NE 2.91Å; G82-R137 PolarHBondContact O-NH2 2.7Å; L130-R137 PolarHBondContact O-NH2 2.99Å; Y132-R137 PolarHBondContact O-NE 2.84Å; Y132-R137 PolarHBondContact O-NH1 3Å; Y132-R137 PolarHBondContact O-NH2 3.35Å; T133-R137 WeakPolarHBondContact O-CG 3.4Å; T133-R137 PolarHBondContact O-N 2.87Å; P134-R137 PolarHBondContact O-N 2.99Å; R137-T139 VanDerWaalsContact C-N 3.25Å; R137-T139 PolarHBondContact O-N 2.8Å; R137-L140 CarbonylContact O-C 3.51Å; R137-L140 PolarHBondContact O-N 2.8Å; R137-L140 VanDerWaalsContact O-N 3.11Å; R137-A141 WeakPolarHBondContact O-CB 3.47Å; R137-A141 PolarHBondContact O-N 2.77Å
138K98.3Very high95.7Very high85 Ų8565.9 Ų65.937%0.3733%0.331SS..Hα-helixtrans-60.3-34173.1-73.3163.3-176.8133.20112.6D52 P134 K142D52-K138 HydrophobicContact CB-CG 4.32Å; D52-K138 WeakPolarHBondContact O-CA 3.21Å; D52-K138 PolarHBondContact O-N 3.12Å; D52-K138 VanDerWaalsContact O-N 3.15Å; D52-K138 WeakPolarHBondContact OD1-CE 3.17Å; D52-K138 IonicContact OD1-NZ 3.6Å; D52-K138 PolarHBondContact OD1-NZ 3.04Å; P134-K138 WeakPolarHBondContact O-CB 3.44Å; P134-K138 WeakPolarHBondContact O-CD 3.42Å; P134-K138 WeakPolarHBondContact O-CG 3.25Å; P134-K138 PolarHBondContact O-N 2.84Å; K138-K142 PolarHBondContact O-N 2.87Å
139T98.5Very high96.4Very high69 Ų6965.7 Ų65.742%0.42333%0.327SS..Hα-helixtrans-71.1-39.8175.2-59.70000111.7E135 E136 R137 K143E135-T139 WeakPolarHBondContact O-CB 3.18Å; E135-T139 PolarHBondContact O-N 3.08Å; E135-T139 PolarHBondContact O-OG1 2.94Å; E136-T139 CarbonylContact O-C 3.52Å; E136-T139 WeakPolarHBondContact O-CA 3.4Å; E136-T139 WeakPolarHBondContact O-CB 3.45Å; E136-T139 PolarHBondContact O-N 2.9Å; E136-T139 VanDerWaalsContact O-N 3.12Å; R137-T139 VanDerWaalsContact C-N 3.25Å; R137-T139 PolarHBondContact O-N 2.8Å; T139-K143 HydrophobicContact CG2-CD 4.45Å; T139-K143 WeakPolarHBondContact O-CG 3.24Å; T139-K143 PolarHBondContact O-N 3.22Å
140L98.5Very high96.6Very high29 Ų2974.3 Ų74.315%0.15237%0.365CS..Hα-helixtrans-68.6-37173.8-68.3174000112P80 G82 Y132 E136 R137 K142 K143 S144P80-L140 HydrophobicContact CB-CD2 4.18Å; G82-L140 VanDerWaalsContact N-CD1 3.34Å; Y132-L140 HydrophobicContact CD2-CD1 3.93Å; Y132-L140 HydrophobicContact CE2-CD1 4.1Å; E136-L140 WeakPolarHBondContact O-CG 3.4Å; E136-L140 PolarHBondContact O-N 2.89Å; R137-L140 CarbonylContact O-C 3.51Å; R137-L140 PolarHBondContact O-N 2.8Å; R137-L140 VanDerWaalsContact O-N 3.11Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 3.07Å; L140-K143 CarbonylContact O-C 3.2Å; L140-K143 PolarHBondContact O-N 2.91Å; L140-S144 WeakPolarHBondContact O-CB 3.48Å; L140-S144 PolarHBondContact O-N 2.85Å
141A98.4Very high96.6Very high0 Ų075.9 Ų75.90%039%0.385CS..Hα-helixtrans-55.9-47.6173.500000111.4D54 G56 Y58 R137 K143 S144D54-A141 WeakPolarHBondContact O-CB 3.41Å; G56-A141 WeakPolarHBondContact CA-O 3.26Å; Y58-A141 WeakPolarHBondContact OH-CA 3.49Å; Y58-A141 VanDerWaalsContact OH-CB 3.28Å; Y58-A141 WeakPolarHBondContact OH-CB 3.45Å; R137-A141 WeakPolarHBondContact O-CB 3.47Å; R137-A141 PolarHBondContact O-N 2.77Å; A141-K143 PolarHBondContact O-N 2.88Å; A141-S144 WeakPolarHBondContact O-CB 3.38Å; A141-S144 PolarHBondContact O-N 3.14Å; A141-S144 PolarHBondContact O-OG 3.36Å
142K98.2Very high96.6Very high161 Ų16172.7 Ų72.770%0.737%0.371SS*.Hα-helixtrans-60.9-46.7174.4-67.5173.7-175.7177.70112.5K138 L140 S144K138-K142 PolarHBondContact O-N 2.87Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 3.07Å; K142-S144 VanDerWaalsContact C-N 3.27Å; K142-S144 PolarHBondContact O-N 3.44Å
143K98.3Very high96.5Very high134 Ų13470.1 Ų70.158%0.58338%0.376SS*.Hα-helixtrans-65.1-27.5178.9-69.9173.8179.1179.60113.4T139 L140 A141 Q145 D146T139-K143 HydrophobicContact CG2-CD 4.45Å; T139-K143 WeakPolarHBondContact O-CG 3.24Å; T139-K143 PolarHBondContact O-N 3.22Å; L140-K143 CarbonylContact O-C 3.2Å; L140-K143 PolarHBondContact O-N 2.91Å; A141-K143 PolarHBondContact O-N 2.88Å; K143-Q145 PolarHBondContact O-N 3.37Å; K143-D146 PolarHBondContact O-N 3.31Å
144S98.5Very high96.4Very high3 Ų368.6 Ų68.62%0.02137%0.368CS..Hα-helixtrans-60.7-29.8-177.9750000113.1G56 V57 L140 A141 K142 D146 F147 M156G56-S144 VanDerWaalsContact CA-OG 3.24Å; G56-S144 WeakPolarHBondContact CA-OG 3.1Å; V57-S144 PolarHBondContact N-OG 2.98Å; V57-S144 VanDerWaalsContact O-CB 3.31Å; V57-S144 WeakPolarHBondContact O-CB 3.38Å; V57-S144 PolarHBondContact O-OG 2.82Å; L140-S144 WeakPolarHBondContact O-CB 3.48Å; L140-S144 PolarHBondContact O-N 2.85Å; A141-S144 WeakPolarHBondContact O-CB 3.38Å; A141-S144 PolarHBondContact O-N 3.14Å; A141-S144 PolarHBondContact O-OG 3.36Å; K142-S144 VanDerWaalsContact C-N 3.27Å; K142-S144 PolarHBondContact O-N 3.44Å; S144-D146 PolarHBondContact O-N 3.18Å; S144-F147 WeakPolarHBondContact O-CB 3.33Å; S144-F147 PolarHBondContact O-N 3.11Å; S144-F147 VanDerWaalsContact O-N 3.09Å; S144-M156 VanDerWaalsContact O-CB 3.22Å; S144-M156 WeakPolarHBondContact O-CB 3.38Å; S144-M156 WeakPolarHBondContact O-CG 3.23Å
145Q97.7Very high96.5Very high45 Ų4568.8 Ų68.821%0.2137%0.368CS..THydrogen-bonded Turntrans-60.3-31177.9-69.2-70.2-5.800113.5G55 K143 R157G55-Q145 PolarHBondContact O-NE2 3.41Å; K143-Q145 PolarHBondContact O-N 3.37Å; Q145-R157 WeakPolarHBondContact O-CB 3.48Å; Q145-R157 PolarHBondContact O-N 3.4Å
146D97.6Very high96.4Very high103 Ų10363.3 Ų63.355%0.55134%0.343SS*.THydrogen-bonded Turntrans-92.21.7-178.9-60.2-36.1000112.6K143 S144 R157K143-D146 PolarHBondContact O-N 3.31Å; S144-D146 PolarHBondContact O-N 3.18Å; D146-R157 IonicContact OD1-CZ 3.82Å; D146-R157 IonicContact OD1-NE 2.81Å; D146-R157 IonicContact OD1-NH2 2.82Å; D146-R157 PolarHBondContact OD1-NH2 2.87Å
147F98.1Very high96.3Very high49 Ų4967.5 Ų67.522%0.21536%0.355CS..  trans-68.3132.8175.1-177.6-90.7000111H59 L78 T79 S144 C149 M156H59-F147 HydrophobicContact CB-CD1 3.96Å; H59-F147 HydrophobicContact CB-CE1 3.65Å; L78-F147 HydrophobicContact CB-CZ 4.08Å; L78-F147 WeakPolarHBondContact O-CE2 3.28Å; T79-F147 HydrophobicContact CG2-CB 3.92Å; T79-F147 HydrophobicContact CG2-CD1 4.48Å; T79-F147 HydrophobicContact CG2-CD2 4.11Å; T79-F147 HydrophobicContact CG2-CG 3.92Å; T79-F147 VanDerWaalsContact OG1-CD1 3.23Å; T79-F147 WeakPolarHBondContact OG1-CD1 3.39Å; T79-F147 WeakPolarHBondContact OG1-CE1 3.42Å; T79-F147 WeakPolarHBondContact OG1-CG 3.38Å; S144-F147 WeakPolarHBondContact O-CB 3.33Å; S144-F147 PolarHBondContact O-N 3.11Å; S144-F147 VanDerWaalsContact O-N 3.09Å; F147-C149 HydrophobicContact CE1-CB 4.06Å; F147-M156 HydrophobicContact CB-CG 3.88Å; F147-M156 HydrophobicContact CD1-CE 4.43Å; F147-M156 HydrophobicContact CD1-CG 3.95Å; F147-M156 HydrophobicContact CG-CG 4.4Å; F147-M156 WeakPolarHBondContact O-CG 3.41Å; F147-M156 PolarHBondContact O-N 3.41Å
148C97.9Very high96.2Very high64 Ų6470.8 Ų70.843%0.43238%0.382SS..BIsolated β-bridgetrans-122131.7169.6-175.90000109.2C154C148-C154 WeakPolarHBondContact CA-O 3.43Å
149C95.6Very high96.1Very high4 Ų467.1 Ų67.13%0.02737%0.367CS..  trans-82.2118178.7-173.60000111.2H59 F147 A151 C152 G153 C154H59-C149 VanDerWaalsContact CD2-CB 3.48Å; H59-C149 WeakPolarHBondContact CD2-CB 3.4Å; H59-C149 VanDerWaalsContact CD2-SG 3.54Å; F147-C149 HydrophobicContact CE1-CB 4.06Å; C149-A151 PolarHBondContact O-N 3.15Å; C149-C152 PolarHBondContact O-N 3.49Å; C149-G153 VanDerWaalsContact O-CA 3.29Å; C149-G153 WeakPolarHBondContact O-CA 2.91Å; C149-G153 PolarHBondContact O-N 3.01Å; C149-C154 PolarHBondContact N-O 2.8Å
150E92.6Very high96Very high204 Ų20464.6 Ų64.695%0.95335%0.351SS*.THydrogen-bonded Turntrans-61.1-26.5178.2-59.7-174.5160.700113.7
151A89.8Confident95.9Very high79 Ų7967.1 Ų67.165%0.65336%0.364SS*.THydrogen-bonded Turntrans-82.8-33.1-176.300000114.1C149C149-A151 PolarHBondContact O-N 3.15Å
152C90.8Very high95.6Very high46 Ų4671.8 Ų71.831%0.31140%0.395SS..THydrogen-bonded Turntrans-125.90.9-176.369.80000114.6H42 H59 C149 C154H42-C152 PolarHBondContact ND1-SG 3.11Å; H59-C152 PolarHBondContact NE2-SG 3.48Å; H59-C152 VanDerWaalsContact NE2-SG 3.43Å; C149-C152 PolarHBondContact O-N 3.49Å; C152-C154 PolarHBondContact O-N 2.96Å; C152-C154 VanDerWaalsContact O-N 3.11Å; C152-C154 WeakPolarHBondContact SG-CB 3.42Å
153G92.8Very high95.2Very high50 Ų5069 Ų6952%0.51539%0.387SS..  trans68.90.9-178.700000115.4C149 T155C149-G153 VanDerWaalsContact O-CA 3.29Å; C149-G153 WeakPolarHBondContact O-CA 2.91Å; C149-G153 PolarHBondContact O-N 3.01Å; G153-T155 PolarHBondContact O-N 3.12Å
154C93.8Very high94.6Very high30 Ų3066.2 Ų66.220%0.20338%0.381CS..  trans-66122.3-176.7-170.20000111.1C148 C149 C152 M156C148-C154 WeakPolarHBondContact CA-O 3.43Å; C149-C154 PolarHBondContact N-O 2.8Å; C152-C154 PolarHBondContact O-N 2.96Å; C152-C154 VanDerWaalsContact O-N 3.11Å; C152-C154 WeakPolarHBondContact SG-CB 3.42Å; C154-M156 HydrophobicContact CB-CE 4.06Å; C154-M156 WeakPolarHBondContact O-CE 3.47Å; C154-M156 VanDerWaalsContact SG-CE 3.54Å
155T96.9Very high93.5Very high56 Ų5672.1 Ų72.134%0.34442%0.423SS..BIsolated β-bridgetrans-101.7126176.7-60.60000109.7G153 R157 S158 A159G153-T155 PolarHBondContact O-N 3.12Å; T155-R157 VanDerWaalsContact C-N 3.35Å; T155-R157 HydrophobicContact CG2-CB 4.43Å; T155-R157 PolarHBondContact O-N 3.02Å; T155-S158 PolarHBondContact O-N 2.7Å; T155-S158 VanDerWaalsContact O-N 3.13Å; T155-S158 PolarHBondContact O-OG 3.22Å; T155-A159 PolarHBondContact O-N 3.45Å
156M96.9Very high92.2Very high2 Ų276.9 Ų76.91%0.0145%0.45CS..G310 helixtrans-63.9-36.2-167.1-69.5-529800114.1S44 V57 H59 S144 F147 C154 S158 A159S44-M156 WeakPolarHBondContact OG-CE 3.41Å; V57-M156 HydrophobicContact CB-CB 4.1Å; V57-M156 HydrophobicContact CG1-CB 4.02Å; V57-M156 HydrophobicContact CG1-CG 4.33Å; V57-M156 HydrophobicContact CG1-SD 3.83Å; H59-M156 HydrophobicContact CB-CE 3.74Å; H59-M156 HydrophobicContact CB-SD 3.63Å; H59-M156 WeakPolarHBondContact ND1-CE 3.46Å; S144-M156 VanDerWaalsContact O-CB 3.22Å; S144-M156 WeakPolarHBondContact O-CB 3.38Å; S144-M156 WeakPolarHBondContact O-CG 3.23Å; F147-M156 HydrophobicContact CB-CG 3.88Å; F147-M156 HydrophobicContact CD1-CE 4.43Å; F147-M156 HydrophobicContact CD1-CG 3.95Å; F147-M156 HydrophobicContact CG-CG 4.4Å; F147-M156 WeakPolarHBondContact O-CG 3.41Å; F147-M156 PolarHBondContact O-N 3.41Å; C154-M156 HydrophobicContact CB-CE 4.06Å; C154-M156 WeakPolarHBondContact O-CE 3.47Å; C154-M156 VanDerWaalsContact SG-CE 3.54Å; M156-S158 PolarHBondContact O-N 3.18Å; M156-A159 HydrophobicContact CE-CB 4.03Å; M156-A159 PolarHBondContact O-N 3.23Å; M156-A159 VanDerWaalsContact O-N 3.11Å; M156-A159 HydrophobicContact SD-CB 4.23Å
157R95.5Very high90.9Very high177 Ų17774.3 Ų74.367%0.66844%0.439SS*.G310 helixtrans-51.3-27.1174.4-166.1-178.6-67-162.3-1.5114.6Q145 D146 T155Q145-R157 WeakPolarHBondContact O-CB 3.48Å; Q145-R157 PolarHBondContact O-N 3.4Å; D146-R157 IonicContact OD1-CZ 3.82Å; D146-R157 IonicContact OD1-NE 2.81Å; D146-R157 IonicContact OD1-NH2 2.82Å; D146-R157 PolarHBondContact OD1-NH2 2.87Å; T155-R157 VanDerWaalsContact C-N 3.35Å; T155-R157 HydrophobicContact CG2-CB 4.43Å; T155-R157 PolarHBondContact O-N 3.02Å
158S95.6Very high89.9Confident96 Ų9679.2 Ų79.267%0.67147%0.468SS*.G310 helixtrans-124.213.5-179.664.70000113.6T155 M156T155-S158 PolarHBondContact O-N 2.7Å; T155-S158 VanDerWaalsContact O-N 3.13Å; T155-S158 PolarHBondContact O-OG 3.22Å; M156-S158 PolarHBondContact O-N 3.18Å
159A96.3Very high89Confident9 Ų979 Ų797%0.07447%0.466CS..SBendtrans-78.3-20.8-175.700000113.8T155 M156T155-A159 PolarHBondContact O-N 3.45Å; M156-A159 HydrophobicContact CE-CB 4.03Å; M156-A159 PolarHBondContact O-N 3.23Å; M156-A159 VanDerWaalsContact O-N 3.11Å; M156-A159 HydrophobicContact SD-CB 4.23Å
160L97Very high88.4Confident15 Ų1580.5 Ų80.58%0.07948%0.477CS..SBendtrans-131.4156.7-175.4-60.1-179.3000110.2Y29 H30 R46 V57Y29-L160 VanDerWaalsContact CA-CD2 3.44Å; H30-L160 HydrophobicContact CB-CD2 3.86Å; R46-L160 HydrophobicContact CB-CD1 3.83Å; V57-L160 HydrophobicContact CG1-CD1 3.86Å; V57-L160 HydrophobicContact CG1-CG 4.19Å; V57-L160 HydrophobicContact CG2-CD1 4.2Å
161L95.6Very high88.1Confident82 Ų8272.8 Ų72.843%0.42945%0.448SS..PPolyproline II helixtrans-64.2147.7172.3-60.8-179.5000110.6P25 T26 E27 R46P25-L161 HydrophobicContact CG-CD2 4.25Å; P25-L161 HydrophobicContact CG-CG 4.42Å; P25-L161 VanDerWaalsContact O-CD1 3.23Å; P25-L161 WeakPolarHBondContact O-CD1 3.39Å; P25-L161 WeakPolarHBondContact O-CG 3.34Å; T26-L161 PolarHBondContact O-N 2.85Å; E27-L161 HydrophobicContact CG-CB 4.01Å; R46-L161 PolarHBondContact NH2-O 3.41Å
162P92.6Very high87.8Confident99 Ų9973.8 Ų73.864%0.64344%0.439SS*.PPolyproline II helixtrans-56.9144.2169.9-21.833.3000110.9E27 T164E27-P162 VanDerWaalsContact CD-O 3.3Å; E27-P162 WeakPolarHBondContact CG-O 3.37Å; P162-T164 PolarHBondContact O-N 2.95Å
163L89.1Confident87.4Confident101 Ų10172.7 Ų72.753%0.52943%0.43SS..PPolyproline II helixtrans-65.2128.4170.9-71.4167.6000109.5E27E27-L163 HydrophobicContact CB-CD2 4.13Å; E27-L163 WeakPolarHBondContact OE2-CA 3.41Å
164T86.6Confident87.2Confident76 Ų7677 Ų7747%0.46643%0.431SS..  trans-112.8141.6174660000110.6E27 P162 N166 S167E27-T164 WeakPolarHBondContact OE1-CB 3.21Å; E27-T164 WeakPolarHBondContact OE1-CG2 3.25Å; E27-T164 PolarHBondContact OE1-N 3.02Å; E27-T164 VanDerWaalsContact OE1-N 3.07Å; E27-T164 PolarHBondContact OE1-OG1 3.43Å; E27-T164 PolarHBondContact OE2-N 3.43Å; P162-T164 PolarHBondContact O-N 2.95Å; T164-N166 PolarHBondContact O-N 3Å; T164-S167 PolarHBondContact O-N 3.24Å; T164-S167 PolarHBondContact O-OG 2.68Å; T164-S167 WeakPolarHBondContact OG1-CB 3.34Å
165S75.3Confident86.9Confident128 Ų12881.7 Ų81.790%0.89545%0.45SS*.THydrogen-bonded Turntrans-65.9-6.2-176.5-45.10000114.9
166N69.3Low86.2Confident145 Ų14579.3 Ų79.378%0.77544%0.435SS*.THydrogen-bonded Turntrans-120.38.9-175.2-64.8-32.6000112.8T164 N168T164-N166 PolarHBondContact O-N 3Å; N166-N168 PolarHBondContact O-N 3.4Å; N166-N168 VanDerWaalsContact O-N 3.14Å
167S71.9Confident85.6Confident48 Ų4885.2 Ų85.234%0.33646%0.461SS..  trans-72.1106.5178.852.70000111.4E27 T164E27-S167 VanDerWaalsContact CD-CB 3.41Å; E27-S167 VanDerWaalsContact CD-OG 3.29Å; E27-S167 WeakPolarHBondContact OE1-CB 3.38Å; E27-S167 PolarHBondContact OE1-OG 3.32Å; E27-S167 VanDerWaalsContact OE2-CB 3.25Å; E27-S167 WeakPolarHBondContact OE2-CB 3.36Å; E27-S167 PolarHBondContact OE2-OG 2.94Å; T164-S167 PolarHBondContact O-N 3.24Å; T164-S167 PolarHBondContact O-OG 2.68Å; T164-S167 WeakPolarHBondContact OG1-CB 3.34Å
168N75.5Confident85.3Confident152 Ų15282 Ų8281%0.81345%0.453SS*.PPolyproline II helixtrans-84.5127.2167-75.6-67.2000109N166N166-N168 PolarHBondContact O-N 3.4Å; N166-N168 VanDerWaalsContact O-N 3.14Å
169P79.9Confident84.8Confident60 Ų6079.3 Ų79.339%0.3943%0.431SS..PPolyproline II helixtrans-57.9147.3174.1-23.633.4000111.7D173 R174P169-D173 HydrophobicContact CB-CB 3.87Å; P169-R174 HydrophobicContact CB-CG 4.25Å
170S83.6Confident84.1Confident36 Ų3679.3 Ų79.325%0.25243%0.431SS..PPolyproline II helixtrans-63.1169.5178.694.30000111.7E172 D173 R174S170-E172 VanDerWaalsContact C-N 3.25Å; S170-E172 VanDerWaalsContact CB-OE2 3.26Å; S170-E172 WeakPolarHBondContact CB-OE2 3.46Å; S170-E172 PolarHBondContact O-N 2.83Å; S170-E172 WeakPolarHBondContact OG-CB 3.28Å; S170-E172 PolarHBondContact OG-N 3.07Å; S170-E172 PolarHBondContact OG-OE2 2.91Å; S170-D173 WeakPolarHBondContact CB-OD2 3.4Å; S170-D173 PolarHBondContact N-OD2 2.63Å; S170-D173 VanDerWaalsContact N-OD2 3.07Å; S170-D173 PolarHBondContact O-N 3.21Å; S170-D173 PolarHBondContact OG-N 3.23Å; S170-D173 PolarHBondContact OG-OD2 2.98Å; S170-R174 WeakPolarHBondContact O-CG 3.25Å; S170-R174 PolarHBondContact O-N 2.96Å; S170-R174 PolarHBondContact O-NE 3.09Å
171A84.9Confident83.6Confident42 Ų4284.2 Ų84.235%0.34745%0.454SS..Hα-helixtrans-62.9-39.3174.500000111R174 Q175A171-R174 PolarHBondContact O-N 3.26Å; A171-Q175 WeakPolarHBondContact O-CG 3.27Å; A171-Q175 PolarHBondContact O-N 3.4Å
172E83.8Confident83.1Confident99 Ų9986.2 Ų86.246%0.46346%0.461SS..Hα-helixtrans-65-40.7175.7-55.573.9-166.400111.6S170 A176S170-E172 VanDerWaalsContact C-N 3.25Å; S170-E172 VanDerWaalsContact CB-OE2 3.26Å; S170-E172 WeakPolarHBondContact CB-OE2 3.46Å; S170-E172 PolarHBondContact O-N 2.83Å; S170-E172 WeakPolarHBondContact OG-CB 3.28Å; S170-E172 PolarHBondContact OG-N 3.07Å; S170-E172 PolarHBondContact OG-OE2 2.91Å; E172-A176 WeakPolarHBondContact O-CB 3.3Å; E172-A176 PolarHBondContact O-N 2.73Å
173D83.1Confident82.6Confident23 Ų2381.8 Ų81.812%0.12343%0.432CS..Hα-helixtrans-65.5-39.4175.4-63.8-36.8000112.2Y29 R109 I113 P169 S170 A176 K177Y29-D173 PolarHBondContact OH-OD1 3.44Å; R109-D173 IonicContact CZ-OD1 2.66Å; R109-D173 IonicContact NH1-OD1 3.99Å; R109-D173 PolarHBondContact NH1-OD1 3.13Å; R109-D173 IonicContact NH1-OD2 2.68Å; I113-D173 HydrophobicContact CD1-CB 4.39Å; P169-D173 HydrophobicContact CB-CB 3.87Å; S170-D173 WeakPolarHBondContact CB-OD2 3.4Å; S170-D173 PolarHBondContact N-OD2 2.63Å; S170-D173 VanDerWaalsContact N-OD2 3.07Å; S170-D173 PolarHBondContact O-N 3.21Å; S170-D173 PolarHBondContact OG-N 3.23Å; S170-D173 PolarHBondContact OG-OD2 2.98Å; D173-A176 PolarHBondContact O-N 3.5Å; D173-K177 VanDerWaalsContact O-CB 3.25Å; D173-K177 WeakPolarHBondContact O-CB 3.4Å; D173-K177 PolarHBondContact O-N 3.42Å
174R88.2Confident82Confident142 Ų14280.2 Ų80.254%0.53642%0.421SS..Hα-helixtrans-64.1-49.7175.7-74.2-178.2-76.2150.5-4.1111.4P169 S170 A171 A176 K177 E178P169-R174 HydrophobicContact CB-CG 4.25Å; S170-R174 WeakPolarHBondContact O-CG 3.25Å; S170-R174 PolarHBondContact O-N 2.96Å; S170-R174 PolarHBondContact O-NE 3.09Å; A171-R174 PolarHBondContact O-N 3.26Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.28Å; R174-K177 WeakPolarHBondContact O-CB 3.26Å; R174-K177 PolarHBondContact O-N 3.29Å; R174-K177 VanDerWaalsContact O-N 3.15Å; R174-E178 WeakPolarHBondContact O-CG 3.02Å; R174-E178 PolarHBondContact O-N 2.95Å
175Q86.6Confident81.3Confident128 Ų12883.6 Ų83.660%0.59843%0.429SS*.Hα-helixtrans-59.3-44175.6-70.7173.313.500111.9A171 K177 E178 L179A171-Q175 WeakPolarHBondContact O-CG 3.27Å; A171-Q175 PolarHBondContact O-N 3.4Å; Q175-K177 VanDerWaalsContact C-N 3.31Å; Q175-K177 PolarHBondContact O-N 3.13Å; Q175-E178 PolarHBondContact O-N 2.76Å; Q175-L179 VanDerWaalsContact O-CB 3.24Å; Q175-L179 WeakPolarHBondContact O-CB 3.47Å; Q175-L179 PolarHBondContact O-N 3.06Å
176A83.2Confident81.1Confident5 Ų581.9 Ų81.94%0.04141%0.405CS..Hα-helixtrans-67.6-29.917800000112.8R109 I113 E172 D173 R174 A180R109-A176 HydrophobicContact CG-CB 4.31Å; I113-A176 HydrophobicContact CD1-CB 3.56Å; E172-A176 WeakPolarHBondContact O-CB 3.3Å; E172-A176 PolarHBondContact O-N 2.73Å; D173-A176 PolarHBondContact O-N 3.5Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.28Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.46Å; A176-A180 PolarHBondContact O-N 2.91Å
177K85.3Confident81.2Confident126 Ų12676 Ų7655%0.54838%0.377SS..Hα-helixtrans-71.1-45.7173.2-175.1178.1-178.9178.40112.2I113 D173 R174 Q175 L179 A180 Q181I113-K177 HydrophobicContact CG2-CB 4.15Å; D173-K177 VanDerWaalsContact O-CB 3.25Å; D173-K177 WeakPolarHBondContact O-CB 3.4Å; D173-K177 PolarHBondContact O-N 3.42Å; R174-K177 WeakPolarHBondContact O-CB 3.26Å; R174-K177 PolarHBondContact O-N 3.29Å; R174-K177 VanDerWaalsContact O-N 3.15Å; Q175-K177 VanDerWaalsContact C-N 3.31Å; Q175-K177 PolarHBondContact O-N 3.13Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.41Å; K177-A180 PolarHBondContact O-N 3.38Å; K177-Q181 WeakPolarHBondContact O-CG 3.11Å; K177-Q181 PolarHBondContact O-N 2.92Å
178E88.3Confident81Confident110 Ų11078.4 Ų78.451%0.51438%0.383SS..Hα-helixtrans-58.3-44.5173.2-71.2166.2-164.400110.8R174 Q175 Q181 Q182R174-E178 WeakPolarHBondContact O-CG 3.02Å; R174-E178 PolarHBondContact O-N 2.95Å; Q175-E178 PolarHBondContact O-N 2.76Å; E178-Q181 WeakPolarHBondContact O-CB 3.34Å; E178-Q181 PolarHBondContact O-N 2.96Å; E178-Q182 WeakPolarHBondContact O-CG 3.16Å; E178-Q182 PolarHBondContact O-N 3.38Å; E178-Q182 VanDerWaalsContact O-N 3.09Å
179L84.4Confident80.5Confident39 Ų3974 Ų7420%0.20437%0.365CS..Hα-helixtrans-64-45.2176.6-170.454.9000111.8W106 T110 Q175 K177 Q181 Q182 I183W106-L179 HydrophobicContact CG-CD2 4.42Å; T110-L179 HydrophobicContact CG2-CB 4.35Å; T110-L179 HydrophobicContact CG2-CD2 3.64Å; T110-L179 HydrophobicContact CG2-CG 3.88Å; Q175-L179 VanDerWaalsContact O-CB 3.24Å; Q175-L179 WeakPolarHBondContact O-CB 3.47Å; Q175-L179 PolarHBondContact O-N 3.06Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.41Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.39Å; L179-Q182 WeakPolarHBondContact O-CB 3.48Å; L179-Q182 PolarHBondContact O-N 3.14Å; L179-I183 HydrophobicContact CG-CD1 4.14Å; L179-I183 WeakPolarHBondContact O-CD1 3.28Å; L179-I183 WeakPolarHBondContact O-CG1 3.47Å; L179-I183 PolarHBondContact O-N 2.67Å
180A82.9Confident79.6Confident9 Ų975 Ų757%0.07437%0.372CS..Hα-helixtrans-59.2-36.2174.300000113.1I113 A114 A176 K177 I183 K184I113-A180 HydrophobicContact CG2-CB 4.02Å; A114-A180 HydrophobicContact CB-CB 3.94Å; A176-A180 VanDerWaalsContact O-CB 3.26Å; A176-A180 WeakPolarHBondContact O-CB 3.46Å; A176-A180 PolarHBondContact O-N 2.91Å; K177-A180 PolarHBondContact O-N 3.38Å; A180-I183 PolarHBondContact O-N 3.42Å; A180-K184 PolarHBondContact O-N 2.97Å
181Q85.3Confident78.3Confident119 Ų11978.3 Ų78.356%0.55639%0.387SS*.Hα-helixtrans-65.8-43.5174.3-72.1170.2-19.700112K177 E178 L179 I183 K184 F185K177-Q181 WeakPolarHBondContact O-CG 3.11Å; K177-Q181 PolarHBondContact O-N 2.92Å; E178-Q181 WeakPolarHBondContact O-CB 3.34Å; E178-Q181 PolarHBondContact O-N 2.96Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.39Å; Q181-I183 VanDerWaalsContact C-N 3.3Å; Q181-I183 PolarHBondContact O-N 3.34Å; Q181-K184 PolarHBondContact O-N 3.28Å; Q181-F185 PolarHBondContact O-N 3.3Å
182Q84.6Confident76.3Confident124 Ų12482.6 Ų82.658%0.57940%0.402SS*.Hα-helixtrans-61.3-39.5174.2-65.4169.922.900111.7E178 L179 F185 K186E178-Q182 WeakPolarHBondContact O-CG 3.16Å; E178-Q182 PolarHBondContact O-N 3.38Å; E178-Q182 VanDerWaalsContact O-N 3.09Å; L179-Q182 WeakPolarHBondContact O-CB 3.48Å; L179-Q182 PolarHBondContact O-N 3.14Å; Q182-F185 PolarHBondContact O-N 3.17Å; Q182-K186 WeakPolarHBondContact O-CB 3.45Å; Q182-K186 PolarHBondContact O-N 3.46Å
183I82.5Confident74.3Confident5 Ų583.1 Ų83.13%0.02641%0.414CS..Hα-helixtrans-65.5-39.6178.2-65.7166.3000111.7S93 I94 W106 T110 F118 L179 A180 Q181 A187S93-I183 WeakPolarHBondContact OG-CG2 3.24Å; S93-I183 PolarHBondContact OG-O 2.98Å; I94-I183 HydrophobicContact CG2-CD1 4.05Å; I94-I183 HydrophobicContact CG2-CG2 3.75Å; W106-I183 HydrophobicContact CD2-CD1 3.72Å; W106-I183 HydrophobicContact CD2-CG1 4.49Å; W106-I183 HydrophobicContact CE3-CD1 3.8Å; W106-I183 HydrophobicContact CG-CD1 4.49Å; W106-I183 HydrophobicContact CH2-CB 4.43Å; W106-I183 HydrophobicContact CH2-CD1 3.71Å; W106-I183 HydrophobicContact CH2-CG1 3.48Å; W106-I183 VanDerWaalsContact CH2-CG1 3.48Å; W106-I183 HydrophobicContact CH2-CG2 4.15Å; W106-I183 HydrophobicContact CZ2-CD1 3.6Å; W106-I183 HydrophobicContact CZ2-CG1 3.42Å; W106-I183 VanDerWaalsContact CZ2-CG1 3.42Å; W106-I183 HydrophobicContact CZ3-CD1 3.8Å; W106-I183 HydrophobicContact CZ3-CG1 4.04Å; W106-I183 HydrophobicContact CZ3-CG2 4.32Å; T110-I183 HydrophobicContact CG2-CD1 4.06Å; F118-I183 HydrophobicContact CE2-CG2 4.07Å; F118-I183 HydrophobicContact CZ-CG2 4.12Å; L179-I183 HydrophobicContact CG-CD1 4.14Å; L179-I183 WeakPolarHBondContact O-CD1 3.28Å; L179-I183 WeakPolarHBondContact O-CG1 3.47Å; L179-I183 PolarHBondContact O-N 2.67Å; A180-I183 PolarHBondContact O-N 3.42Å; Q181-I183 VanDerWaalsContact C-N 3.3Å; Q181-I183 PolarHBondContact O-N 3.34Å; I183-A187 PolarHBondContact O-N 2.95Å; I183-A187 VanDerWaalsContact O-N 3.11Å
184K76.3Confident72.4Confident69 Ų6991.3 Ų91.330%0.345%0.452SS..Hα-helixtrans-63.6-49.1173.7177.9174.8171.5176.40111.7F118 T121 A180 Q181 K186 A187 E188F118-K184 HydrophobicContact CE1-CB 3.88Å; F118-K184 HydrophobicContact CE1-CG 3.95Å; F118-K184 HydrophobicContact CZ-CB 4Å; T121-K184 HydrophobicContact CG2-CD 4.13Å; T121-K184 VanDerWaalsContact CG2-CE 3.49Å; A180-K184 PolarHBondContact O-N 2.97Å; Q181-K184 PolarHBondContact O-N 3.28Å; K184-K186 VanDerWaalsContact C-N 3.35Å; K184-K186 PolarHBondContact O-N 3Å; K184-A187 WeakPolarHBondContact O-CB 3.28Å; K184-A187 PolarHBondContact O-N 3.43Å; K184-A187 VanDerWaalsContact O-N 3.12Å; K184-E188 WeakPolarHBondContact CE-OE1 3.49Å; K184-E188 WeakPolarHBondContact CG-OE1 3.34Å; K184-E188 PolarHBondContact O-N 3.39Å
185F72.2Confident69.8Low147 Ų14789.1 Ų89.165%0.64546%0.464SS*.Hα-helixtrans-61.3-39.8178-177.2-99000113Q181 Q182 A187 E188 S189Q181-F185 PolarHBondContact O-N 3.3Å; Q182-F185 PolarHBondContact O-N 3.17Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.42Å; F185-E188 PolarHBondContact O-N 3.01Å; F185-S189 PolarHBondContact O-N 3.3Å; F185-S189 PolarHBondContact O-OG 2.94Å
186K72.1Confident67.4Low91 Ų9188.1 Ų88.140%0.39647%0.471SS..Hα-helixtrans-65.3-35.3174.9-173.4177.8175-174.60112.2Q182 K184 S189 S190Q182-K186 WeakPolarHBondContact O-CB 3.45Å; Q182-K186 PolarHBondContact O-N 3.46Å; K184-K186 VanDerWaalsContact C-N 3.35Å; K184-K186 PolarHBondContact O-N 3Å; K186-S189 WeakPolarHBondContact CA-OG 3.5Å; K186-S189 PolarHBondContact O-OG 3.14Å; K186-S190 WeakPolarHBondContact O-CB 3.44Å; K186-S190 PolarHBondContact O-N 3.44Å; K186-S190 PolarHBondContact O-OG 3.2Å
187A69.8Low65.2Low22 Ų2294.9 Ų94.918%0.18251%0.512CS..Hα-helixtrans-66.2-49.2174.800000111.3F118 I183 K184 F185 S189 S190 I191F118-A187 HydrophobicContact CE1-CB 4.49Å; F118-A187 HydrophobicContact CZ-CB 4.49Å; I183-A187 PolarHBondContact O-N 2.95Å; I183-A187 VanDerWaalsContact O-N 3.11Å; K184-A187 WeakPolarHBondContact O-CB 3.28Å; K184-A187 PolarHBondContact O-N 3.43Å; K184-A187 VanDerWaalsContact O-N 3.12Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.42Å; A187-S189 PolarHBondContact O-N 3.16Å; A187-S190 PolarHBondContact O-N 2.95Å; A187-I191 WeakPolarHBondContact O-CD1 3.33Å; A187-I191 WeakPolarHBondContact O-CG1 3.43Å; A187-I191 PolarHBondContact O-N 3.25Å
188E68.3Low62.8Low98 Ų9894.5 Ų94.546%0.45853%0.526SS..Hα-helixtrans-59.9-42.7179.8-70.3167.7-178.100112.1K184 F185 S190 I191K184-E188 WeakPolarHBondContact CE-OE1 3.49Å; K184-E188 WeakPolarHBondContact CG-OE1 3.34Å; K184-E188 PolarHBondContact O-N 3.39Å; F185-E188 PolarHBondContact O-N 3.01Å; E188-S190 PolarHBondContact O-N 3.06Å; E188-I191 PolarHBondContact O-N 3.12Å
189S65Low60.1Low61 Ų6192.8 Ų92.843%0.42754%0.537SS..Hα-helixtrans-71.4-23.6177.7520000114.7F185 K186 A187 I191F185-S189 PolarHBondContact O-N 3.3Å; F185-S189 PolarHBondContact O-OG 2.94Å; K186-S189 WeakPolarHBondContact CA-OG 3.5Å; K186-S189 PolarHBondContact O-OG 3.14Å; A187-S189 PolarHBondContact O-N 3.16Å; S189-I191 VanDerWaalsContact C-N 3.33Å
190S61.7Low57.7Low79 Ų7997.2 Ų97.255%0.55257%0.572SS**Hα-helixtrans-80.5-12.3177.7-56.60000113.5K186 A187 E188K186-S190 WeakPolarHBondContact O-CB 3.44Å; K186-S190 PolarHBondContact O-N 3.44Å; K186-S190 PolarHBondContact O-OG 3.2Å; A187-S190 PolarHBondContact O-N 2.95Å; E188-S190 PolarHBondContact O-N 3.06Å
191I56.9Low55.4Low107 Ų107106.8 Ų106.855%0.54961%0.612SS.*SBendtrans-91.1-16.5-176.1-69.5166.4000112.2A187 E188 S189 P193A187-I191 WeakPolarHBondContact O-CD1 3.33Å; A187-I191 WeakPolarHBondContact O-CG1 3.43Å; A187-I191 PolarHBondContact O-N 3.25Å; E188-I191 PolarHBondContact O-N 3.12Å; S189-I191 VanDerWaalsContact C-N 3.33Å; I191-P193 VanDerWaalsContact O-CD 3.23Å; I191-P193 WeakPolarHBondContact O-CD 3.4Å
192I42.4Very low52.8Low131 Ų131105.3 Ų105.367%0.67262%0.62SS**  trans-75.5115.4179.9-54.8177.6000110.3
193P41.6Very low50.2Low110 Ų110104.9 Ų104.971%0.71463%0.63SS**  trans-72.3139.9175-1330.1000110.4I191 A195I191-P193 VanDerWaalsContact O-CD 3.23Å; I191-P193 WeakPolarHBondContact O-CD 3.4Å; P193-A195 PolarHBondContact O-N 3.18Å
194Q42.9Very low47.6Very low195 Ų195110 Ų11091%0.91166%0.662SS**  trans-65.2105.5167.1-74.5-165.7-17.300109.7S196Q194-S196 PolarHBondContact O-N 3.45Å
195A33.9Very low45.5Very low97 Ų97112.9 Ų112.980%0.80269%0.685SS**  trans-67.499.2168.700000109.1P193 T197P193-A195 PolarHBondContact O-N 3.18Å; A195-T197 PolarHBondContact O-N 2.87Å
196S36.6Very low43.4Very low107 Ų107110.4 Ų110.475%0.74868%0.682SS**  trans-58.5125.2176.254.20000111.1Q194 S198Q194-S196 PolarHBondContact O-N 3.45Å; S196-S198 PolarHBondContact O-N 2.91Å
197T35.5Very low41.4Very low147 Ų147115.3 Ų115.390%0.90271%0.706SS**  trans-66.8110.6176.445.20000112A195A195-T197 PolarHBondContact O-N 2.87Å
198S35.2Very low39.4Very low118 Ų118117.5 Ų117.583%0.82573%0.731SS**  trans-110.9113.7158.954.20000108.8S196S196-S198 PolarHBondContact O-N 2.91Å
199G32.8Very low37.7Very low74 Ų74121.1 Ų121.176%0.76375%0.748SS**  trans-85.4165.1-167.700000115
200S32.8Very low35.9Very low132 Ų132124.4 Ų124.492%0.92377%0.765SS**  trans-151.8143.7148-83.70000110.5
201K36.1Very low34.5Very low210 Ų210125.7 Ų125.791%0.91378%0.775SS**  trans-81.7148.2-176.6-59.5168.8177175.70110.7
202A28.8Very low33.3Very low88 Ų88125.6 Ų125.673%0.72778%0.783SS**  -178.4134.6121.500000111.8
203S31.8Very low32.6Very low114 Ų114124.1 Ų124.180%0.79779%0.785SS**  trans45.9151.4133.6-55.40000122.4
204T26.6Very low32.2Very low114 Ų114126.4 Ų126.470%0.69979%0.79SS**  cis-172.2169.4-21-620000104.5
205V32.7Very low31.6Very low129 Ų129124.1 Ų124.178%0.78278%0.779SS**  trans82.4143.2161.3-175.90000116.8
206T28.2Very low31.5Very low94 Ų94126.8 Ų126.858%0.57778%0.775SS**  cis-174.3137.2-28.4-81.80000109.5
207Q30Very low31.1Very low194 Ų194130.2 Ų130.291%0.90778%0.779SS**  trans56.1159155-69157.3-4.700124
208G27.9Very low30.8Very low68 Ų68128.1 Ų128.170%0.70178%0.777SS**  trans121.867.3164.100000114.7
209E31.5Very low30.7Very low175 Ų175131.5 Ų131.582%0.81878%0.78SS**  79.9117.683.3-73.5-164.9130.900117.2
210T27.9Very low30.5Very low129 Ų129137.3 Ų137.379%0.79179%0.787SS**  trans57.1145.5148.752.10000120.5
211S33.3Very low30.3Very low107 Ų107140.5 Ų140.575%0.74878%0.779SS**  cis-159.3153.5-9.3-83.20000106.1
212S30.3Very low30.5Very low104 Ų104134.9 Ų134.973%0.72776%0.764SS**  166.3127.391169.70000110.7
213S29.3Very low30.5Very low100 Ų100137.6 Ų137.670%0.69976%0.761SS**  trans31.5120.6143.1-42.90000121.2
214L32.6Very low30.4Very low159 Ų159136.1 Ų136.183%0.83276%0.756SS**  -170157.294.9-95.1168000112.6
215E30.8Very low30.6Very low147 Ų147137.7 Ų137.769%0.68776%0.756SS**  trans-75.2149.3-155.9-69.1162.7109.400117.7
216Q30.2Very low30.5Very low153 Ų153139.6 Ų139.672%0.71576%0.756SS**  trans59.8138.4132-62.816934.600118.7
217Q28.7Very low30.7Very low178 Ų178138.9 Ų138.983%0.83276%0.76SS**  cis-162.5140.441.2-131.316127.600109.7
218A29.4Very low30.7Very low103 Ų103138.9 Ų138.985%0.85176%0.759SS**  trans-163.4114160.200000110.4
219E32.2Very low30.8Very low189 Ų189140.1 Ų140.188%0.88376%0.763SS**  trans-85.9134.5166.5-68.3175.411300109.5
220E29.3Very low31Very low196 Ų196137.2 Ų137.292%0.91676%0.763SS**  162136.2120.2-87.3-166.2108.500112.7
221R27.7Very low31.9Very low199 Ų199136.9 Ų136.975%0.75176%0.763SS**  trans-162.7160.4170.8-131.7-162.4168.6-108.5-7.6105.3Q223R221-Q223 VanDerWaalsContact CZ-OE1 3.25Å; R221-Q223 VanDerWaalsContact NH2-OE1 3.13Å
222P41.5Very low31.8Very low92 Ų92136.2 Ų136.260%0.59776%0.763SS**  cis-132.8177.6-3.722.53.4000114.7
223Q28Very low31.9Very low145 Ų145135.8 Ų135.868%0.67877%0.766SS**  22.7143.1127.6-44.9175.5-90.800117.9R221R221-Q223 VanDerWaalsContact CZ-OE1 3.25Å; R221-Q223 VanDerWaalsContact NH2-OE1 3.13Å
224A31.1Very low31.9Very low83 Ų83139 Ų13969%0.68678%0.776SS**  cis-170.9-16112.800000109.3
225E30.4Very low32.1Very low148 Ų148139.1 Ų139.169%0.69278%0.776SS**  cis-162.2164.5-9.9-139.8166.6102.300110
226Q30.7Very low32Very low169 Ų169141.3 Ų141.379%0.7979%0.786SS**  trans61.3163.4158.1-74.1167.237.600117.3
227A32.1Very low32.2Very low79 Ų79142.3 Ų142.365%0.65379%0.791SS**  cis-162.1152.9-25.500000110.1
228E30.2Very low32.9Very low193 Ų193138.8 Ų138.890%0.90278%0.783SS**  trans61.1156.9142-138.5167.2161.500124.2
229A29.3Very low32.9Very low95 Ų95142.8 Ų142.879%0.78579%0.785SS**  trans78.9118158.500000121.8
230S35.4Very low33Very low114 Ų114138 Ų13880%0.79778%0.777SS**  trans-79.4169.1151-47.20000110.6
231P46.9Very low33.7Very low122 Ų122134.6 Ų134.679%0.79277%0.772SS**  -151.1171.197.438.7-21.3000117
232A31.5Very low33.9Very low92 Ų92132.9 Ų132.976%0.7678%0.778SS**  trans24.3123.2145.500000119.8
233A32.9Very low33.5Very low95 Ų95135 Ų13579%0.78578%0.784SS**  70.5114.965.500000113.9
234D29.6Very low33.9Very low169 Ų169133.5 Ų133.590%0.90479%0.79SS**  trans-148.9157.8163.7-110.9-35.7000111.6
235L35.4Very low34Very low161 Ų161132.6 Ų132.684%0.84379%0.788SS**  trans-94164.2-174.4-66.8148.8000111.4
236E29.9Very low34.6Very low192 Ų192131.9 Ų131.990%0.89780%0.796SS**  156.3137.1117.1-159.8144.711500113.2
237E33.3Very low35.2Very low174 Ų174130.2 Ų130.281%0.81380%0.797SS**  trans-128.5139.4172.2170.3177.2172.100103.9
238P44.7Very low35.9Very low104 Ų104137.8 Ų137.868%0.67581%0.809SS**  -162.4172.77737.4-11.8000121.8
239Q29Very low36.9Very low188 Ų188139.7 Ų139.788%0.87981%0.808SS**  trans120.8137.2141-58.8-159.5-46.400119.6
240A34.4Very low38.4Very low88 Ų88140.1 Ų140.173%0.72780%0.797SS**  trans-108.8171.2169.100000110.5
241P44Very low39.8Very low124 Ų124137.1 Ų137.181%0.80578%0.775SS**  -130.4-179.990.49.215.1000112.5
242D31.6Very low40.2Very low163 Ų163136.7 Ų136.787%0.87277%0.773SS**  cis-160.9176.443.2-153.7-5.4000114.1
243D33.4Very low41.3Very low136 Ų136143.2 Ų143.273%0.72778%0.778SS**  trans-87.2152.5-162.7179.534.2000117.4
244S35.7Very low42.5Very low115 Ų115143.5 Ų143.580%0.80476%0.763SS**  trans179.6102.3139.935.20000115.6
245G34Very low43.9Very low63 Ų63143.2 Ų143.265%0.64975%0.749SS**  trans56.3119.4136.500000122.8
246P42.6Very low45Very low133 Ų133144.8 Ų144.886%0.86474%0.744SS**  trans-94.3131.9-175.735.2-34.1000116.6
247V43.4Very low46Very low134 Ų134139 Ų13981%0.81273%0.729SS**  trans-86.9110.4165.7179.20000111R249V247-R249 PolarHBondContact O-N 3.4Å
248R46.3Very low47.1Very low239 Ų239137.7 Ų137.790%0.90272%0.723SS**  trans-75.687.8-172.5-158.2177.1-168-179.34.8113.2
249R50.8Low47.8Very low233 Ų233140.2 Ų140.288%0.87973%0.726SS**PPolyproline II helixtrans-73.4128.1172.7-65-170.1-171-119.55.6111.6V247V247-R249 PolarHBondContact O-N 3.4Å
250L61.5Low49Very low104 Ų104138.3 Ų138.355%0.54572%0.721SS.*PPolyproline II helixtrans-71.1139.8179.7-68.4170.9000113.2
251S65.9Low49.6Very low50 Ų50138.7 Ų138.735%0.3572%0.718SS.*PPolyproline II helixtrans-69.3156-177.469.40000113.1R253 Q254S251-R253 PolarHBondContact O-N 3.48Å; S251-Q254 PolarHBondContact O-N 2.85Å; S251-Q254 VanDerWaalsContact O-N 3.09Å; S251-Q254 PolarHBondContact OG-OE1 3.25Å
252P54.4Low50.1Low114 Ų114143.4 Ų143.474%0.7472%0.72SS**Hα-helixtrans-57.2-30.9178.1-2735.9000114.4
253R53.5Low50.7Low228 Ų228144.6 Ų144.686%0.8672%0.72SS**Hα-helixtrans-66.8-33.7177.2-84.5-179.2163161.8-5.3113S251S251-R253 PolarHBondContact O-N 3.48Å
254Q58.9Low51.1Low102 Ų102142.7 Ų142.748%0.47772%0.723SS.*Hα-helixtrans-73.7-30.6-178.1-72.9162.5-5200112.9S251 R256 A257S251-Q254 PolarHBondContact O-N 2.85Å; S251-Q254 VanDerWaalsContact O-N 3.09Å; S251-Q254 PolarHBondContact OG-OE1 3.25Å; Q254-R256 VanDerWaalsContact C-N 3.33Å; Q254-R256 PolarHBondContact O-N 3.39Å; Q254-A257 PolarHBondContact O-N 2.92Å
255R59.9Low51.4Low162 Ų162143.4 Ų143.461%0.61173%0.726SS**Hα-helixtrans-64.5-34.6175.6-99.4177.7-88.9-157.3-6.3113.3A257 Q258R255-A257 VanDerWaalsContact C-N 3.31Å; R255-A257 PolarHBondContact O-N 3.23Å; R255-Q258 PolarHBondContact O-N 3Å
256R58.6Low51.5Low194 Ų194152.3 Ų152.373%0.73274%0.74SS**Hα-helixtrans-68.4-29.2-177.5-152174.7-160.8172.45.6113.1Q254Q254-R256 VanDerWaalsContact C-N 3.33Å; Q254-R256 PolarHBondContact O-N 3.39Å
257A50.8Low51.4Low72 Ų72151.1 Ų151.160%0.59574%0.741SS**Hα-helixtrans-74-26.3-179.300000113.8Q254 R255Q254-A257 PolarHBondContact O-N 2.92Å; R255-A257 VanDerWaalsContact C-N 3.31Å; R255-A257 PolarHBondContact O-N 3.23Å
258Q56.5Low51Low146 Ų146148.1 Ų148.168%0.68274%0.737SS**Hα-helixtrans-85.8-14.2180-83.1-176.8-28.100114.7R255 S261R255-Q258 PolarHBondContact O-N 3Å; Q258-S261 PolarHBondContact O-OG 2.82Å
259Q57.8Low50.4Low156 Ų156148.6 Ų148.673%0.72974%0.739SS**Hα-helixtrans-88.7-26.1177.9-70.9-177.7-68.700113.2S261Q259-S261 VanDerWaalsContact C-N 3.31Å; Q259-S261 PolarHBondContact O-N 3.4Å
260L54.6Low49.8Very low148 Ų148145.8 Ų145.878%0.77574%0.736SS**THydrogen-bonded Turntrans-77.1-12.6-179.2-77.9162.5000114.2
261S48.3Very low49Very low96 Ų96146.2 Ų146.267%0.67175%0.745SS**THydrogen-bonded Turntrans-93.19.6179.751.70000114.6Q258 Q259Q258-S261 PolarHBondContact O-OG 2.82Å; Q259-S261 VanDerWaalsContact C-N 3.31Å; Q259-S261 PolarHBondContact O-N 3.4Å
262R52.6Low47.5Very low224 Ų224150 Ų15085%0.84577%0.766SS**SBendtrans-112.86.3-176.7-87.7-166.4171-144.1-1.5116.5
263Q45.6Very low46.9Very low187 Ų187148.8 Ų148.887%0.87477%0.765SS**  trans-133.393.2175.4-73.1-176.6-12.800111.8
264A40.3Very low46.2Very low96 Ų96144.1 Ų144.179%0.79377%0.768SS**  trans-104.5131.7160.200000108.5
265P42.9Very low45.3Very low131 Ų131150.4 Ų150.485%0.85179%0.787SS**PPolyproline II helixtrans-78134-179.230.5-33000111.4
266R36.5Very low44.1Very low250 Ų250147.2 Ų147.294%0.94380%0.795SS**PPolyproline II helixtrans-79124.9165.2-83.3-177.2167.4-178.7-4.2109.4
267A39.9Very low43.2Very low107 Ų107144 Ų14488%0.88479%0.792SS**PPolyproline II helixtrans-75.3144.3166.700000110.8
268G35Very low42.7Very low72 Ų72150.1 Ų150.174%0.74281%0.806SS**  trans172.6102.117300000117.3
269R33.8Very low41.6Very low249 Ų249146.4 Ų146.494%0.9481%0.807SS**  trans70.7112.3148.7-69-179.8168.4168.2-4.5121.3
270E38.3Very low41Very low173 Ų173145.3 Ų145.381%0.80881%0.813SS**  trans-54.8158.8142.6-78.7-97.8126.400112.6
271P44.2Very low40.8Very low113 Ų113142.3 Ų142.373%0.73481%0.81SS**  -146.9137.1103.336.3-20000117.5
272V35Very low40.8Very low130 Ų130143.8 Ų143.879%0.78882%0.817SS**  53.7126.3129.6-171.20000120.1
273A42.4Very low40.7Very low89 Ų89144.4 Ų144.474%0.73682%0.819SS**  trans-72.1163.9178.100000115.8
274S37.7Very low41.2Very low130 Ų130143.4 Ų143.491%0.90981%0.814SS**  trans-143.5135.6156.5-77.60000109.9
275R40Very low42.1Very low233 Ų233144.6 Ų144.688%0.87981%0.807SS**  trans-133.8122.6-172.6175.9178.6176.2163.6-1.3110.4
276A34.7Very low43Very low96 Ų96143.9 Ų143.979%0.79380%0.796SS**  trans-158.4156.3164.600000108.6
277L41.3Very low44.1Very low125 Ų125140 Ų14065%0.65479%0.788SS**  -170.2124-51.6-105.9163.5000104.7
278F38.8Very low45.1Very low202 Ų202138 Ų13889%0.88677%0.771SS**  trans67.7124.4161.1-69.2-65.7000124.1
279G34.9Very low46.5Very low68 Ų68137.8 Ų137.870%0.70176%0.763SS**  trans-171.5118.2145.600000108.5
280P45.2Very low48.5Very low132 Ų132128.8 Ų128.886%0.85774%0.738SS**PPolyproline II helixtrans-83.7123-173.131.3-32.5000112.3
281A50.7Low50.6Low86 Ų86123 Ų12371%0.71172%0.72SS**PPolyproline II helixtrans-79.4149.1166.800000110.8R283A281-R283 PolarHBondContact O-N 2.81Å
282P48.3Very low52.7Low126 Ų126122.2 Ų122.282%0.81871%0.713SS**PPolyproline II helixtrans-64.9134.5-17927.1-34.3000111H284P282-H284 PolarHBondContact O-N 3.25Å
283R50.1Low55.2Low238 Ų238121.2 Ų121.290%0.89870%0.703SS**  trans-71112.3170.9-74.6-179.6174166.8-2.5108.6A281A281-R283 PolarHBondContact O-N 2.81Å
284H54.4Low57.5Low165 Ų165121.5 Ų121.576%0.76469%0.691SS**  trans-81.7128.7168.6-148.1-89.6000108.5P282 N286P282-H284 PolarHBondContact O-N 3.25Å; H284-N286 VanDerWaalsContact C-N 3.27Å; H284-N286 PolarHBondContact O-N 2.8Å
285D59.3Low60.2Low122 Ų122119.1 Ų119.165%0.65267%0.671SS**  trans-75.373.6-172.4-75.6-48.5000113.1H287 A288D285-H287 PolarHBondContact O-N 3.07Å; D285-H287 VanDerWaalsContact O-N 3.07Å; D285-A288 PolarHBondContact O-N 2.88Å
286N62.1Low62.8Low116 Ų116112.1 Ų112.162%0.6265%0.654SS**Hα-helixtrans-59-20.5178.3-69.3-18.3000113.4H284 S290H284-N286 VanDerWaalsContact C-N 3.27Å; H284-N286 PolarHBondContact O-N 2.8Å; N286-S290 WeakPolarHBondContact O-CB 3.23Å; N286-S290 PolarHBondContact O-N 3.45Å; N286-S290 VanDerWaalsContact O-N 3.11Å
287H60.8Low65.6Low169 Ų169112.6 Ų112.678%0.78264%0.642SS**Hα-helixtrans-70.4-37.8177.4-73.4-75.1000113.2D285 A291D285-H287 PolarHBondContact O-N 3.07Å; D285-H287 VanDerWaalsContact O-N 3.07Å; H287-A291 WeakPolarHBondContact O-CB 3.43Å; H287-A291 PolarHBondContact O-N 3.36Å
288A60.1Low68.2Low63 Ų63110.4 Ų110.452%0.52163%0.634SS.*Hα-helixtrans-70-46.618000000111.4D285 S290 A291 V292D285-A288 PolarHBondContact O-N 2.88Å; A288-S290 VanDerWaalsContact C-N 3.34Å; A288-S290 PolarHBondContact O-N 2.58Å; A288-A291 PolarHBondContact O-N 2.68Å; A288-V292 WeakPolarHBondContact O-CG2 3.41Å; A288-V292 PolarHBondContact O-N 2.74Å
289A63.4Low70.9Confident68 Ų68106.2 Ų106.256%0.56262%0.62SS**Hα-helixtrans-62.3-40.1176.200000112.3L293A289-L293 WeakPolarHBondContact O-CB 3.07Å; A289-L293 PolarHBondContact O-N 3.14Å
290S76.6Confident73.7Confident60 Ų60105.3 Ų105.342%0.4261%0.606SS.*Hα-helixtrans-64.2-44.5175.4-1760000112.2N286 A288 V292 L293 I294N286-S290 WeakPolarHBondContact O-CB 3.23Å; N286-S290 PolarHBondContact O-N 3.45Å; N286-S290 VanDerWaalsContact O-N 3.11Å; A288-S290 VanDerWaalsContact C-N 3.34Å; A288-S290 PolarHBondContact O-N 2.58Å; S290-V292 PolarHBondContact O-N 3.06Å; S290-L293 PolarHBondContact O-N 3.38Å; S290-I294 WeakPolarHBondContact O-CD1 3.29Å; S290-I294 VanDerWaalsContact O-CG1 3.26Å; S290-I294 WeakPolarHBondContact O-CG1 3.18Å; S290-I294 PolarHBondContact O-N 2.87Å
291A83.3Confident76.1Confident53 Ų53104.1 Ų104.144%0.43859%0.592SS.*Hα-helixtrans-61.6-43.8177.300000112.4H287 A288 I294 V295H287-A291 WeakPolarHBondContact O-CB 3.43Å; H287-A291 PolarHBondContact O-N 3.36Å; A288-A291 PolarHBondContact O-N 2.68Å; A291-I294 PolarHBondContact O-N 3.06Å; A291-V295 WeakPolarHBondContact O-CG2 3.39Å; A291-V295 PolarHBondContact O-N 3.27Å
292V88.2Confident78.2Confident96 Ų96102.6 Ų102.658%0.58258%0.58SS**Hα-helixtrans-62.8-44.4175.9173.50000111.2A288 S290 I294 V295 V296A288-V292 WeakPolarHBondContact O-CG2 3.41Å; A288-V292 PolarHBondContact O-N 2.74Å; S290-V292 PolarHBondContact O-N 3.06Å; V292-I294 VanDerWaalsContact C-N 3.34Å; V292-I294 PolarHBondContact O-N 3.38Å; V292-V295 PolarHBondContact O-N 2.79Å; V292-V296 HydrophobicContact CG1-CG2 4.4Å; V292-V296 WeakPolarHBondContact O-CG2 3.41Å; V292-V296 PolarHBondContact O-N 2.99Å
293L87.6Confident80.4Confident109 Ų10999.5 Ų99.557%0.57157%0.565SS**Hα-helixtrans-59.4-44.6176.7-16981.1000111.5A289 S290 V296 L297A289-L293 WeakPolarHBondContact O-CB 3.07Å; A289-L293 PolarHBondContact O-N 3.14Å; S290-L293 PolarHBondContact O-N 3.38Å; L293-V296 PolarHBondContact O-N 2.79Å; L293-L297 HydrophobicContact CD2-CD1 4.3Å; L293-L297 HydrophobicContact CG-CD1 4.01Å; L293-L297 WeakPolarHBondContact O-CB 3.46Å; L293-L297 VanDerWaalsContact O-CG 3.26Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.36Å
294I91Very high82.5Confident95 Ų9593.4 Ų93.449%0.48755%0.549SS..Hα-helixtrans-61.7-46.2178-69163.1000110.6S290 A291 V292 V296 L297 T298S290-I294 WeakPolarHBondContact O-CD1 3.29Å; S290-I294 VanDerWaalsContact O-CG1 3.26Å; S290-I294 WeakPolarHBondContact O-CG1 3.18Å; S290-I294 PolarHBondContact O-N 2.87Å; A291-I294 PolarHBondContact O-N 3.06Å; V292-I294 VanDerWaalsContact C-N 3.34Å; V292-I294 PolarHBondContact O-N 3.38Å; I294-V296 PolarHBondContact O-N 3.25Å; I294-L297 PolarHBondContact O-N 2.95Å; I294-T298 HydrophobicContact CG2-CG2 4.42Å; I294-T298 WeakPolarHBondContact O-CG2 3.33Å; I294-T298 PolarHBondContact O-N 2.88Å; I294-T298 PolarHBondContact O-OG1 3.49Å
295V94.1Very high84.4Confident80 Ų8089.8 Ų89.849%0.48553%0.534SS..Hα-helixtrans-62.5-43.1177.7172.30000111.7A291 V292 L297 T298 L299A291-V295 WeakPolarHBondContact O-CG2 3.39Å; A291-V295 PolarHBondContact O-N 3.27Å; V292-V295 PolarHBondContact O-N 2.79Å; V295-L297 PolarHBondContact O-N 3.44Å; V295-T298 PolarHBondContact O-N 2.89Å; V295-T298 PolarHBondContact O-OG1 2.95Å; V295-L299 HydrophobicContact CG1-CD1 3.94Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CB 3.32Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.24Å; V295-L299 PolarHBondContact O-N 3.44Å
296V94Very high86Confident86 Ų8690.9 Ų90.952%0.52153%0.534SS..Hα-helixtrans-63.1-42.8176.9171.20000111.1V292 L293 I294 L299 A300V292-V296 HydrophobicContact CG1-CG2 4.4Å; V292-V296 WeakPolarHBondContact O-CG2 3.41Å; V292-V296 PolarHBondContact O-N 2.99Å; L293-V296 PolarHBondContact O-N 2.79Å; I294-V296 PolarHBondContact O-N 3.25Å; V296-L299 PolarHBondContact O-N 2.96Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 3.01Å
297L93.6Very high87.4Confident106 Ų10693.3 Ų93.356%0.55553%0.534SS*.Hα-helixtrans-67.9-38.2178.4-71.2171.9000112.7L293 I294 V295 A300 L301L293-L297 HydrophobicContact CD2-CD1 4.3Å; L293-L297 HydrophobicContact CG-CD1 4.01Å; L293-L297 WeakPolarHBondContact O-CB 3.46Å; L293-L297 VanDerWaalsContact O-CG 3.26Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.36Å; I294-L297 PolarHBondContact O-N 2.95Å; V295-L297 PolarHBondContact O-N 3.44Å; L297-A300 PolarHBondContact O-N 3.5Å; L297-L301 WeakPolarHBondContact O-CB 3.25Å; L297-L301 PolarHBondContact O-N 3.15Å
298T94.6Very high88.8Confident79 Ų7994.9 Ų94.949%0.48553%0.533SS..Hα-helixtrans-68.9-38.9176.155.60000112I294 V295 L301 A302I294-T298 HydrophobicContact CG2-CG2 4.42Å; I294-T298 WeakPolarHBondContact O-CG2 3.33Å; I294-T298 PolarHBondContact O-N 2.88Å; I294-T298 PolarHBondContact O-OG1 3.49Å; V295-T298 PolarHBondContact O-N 2.89Å; V295-T298 PolarHBondContact O-OG1 2.95Å; T298-L301 PolarHBondContact O-N 3.42Å; T298-A302 WeakPolarHBondContact O-CB 3.42Å; T298-A302 PolarHBondContact O-N 3.09Å
299L95.8Very high90.2Very high114 Ų11496.2 Ų96.260%0.59753%0.531SS*.Hα-helixtrans-65.1-42173.7-70.3172.7000112V295 V296 A302 A303V295-L299 HydrophobicContact CG1-CD1 3.94Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CB 3.32Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.24Å; V295-L299 PolarHBondContact O-N 3.44Å; V296-L299 PolarHBondContact O-N 2.96Å; L299-A302 PolarHBondContact O-N 2.96Å; L299-A303 WeakPolarHBondContact O-CB 3.39Å; L299-A303 PolarHBondContact O-N 3.34Å
300A94.6Very high91.2Very high49 Ų4999.2 Ų99.241%0.40553%0.528SS..Hα-helixtrans-62.8-44175.100000111.9V296 L297 A303 L304V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 3.01Å; L297-A300 PolarHBondContact O-N 3.5Å; A300-A303 PolarHBondContact O-N 3.02Å; A300-L304 WeakPolarHBondContact O-CG 3.47Å; A300-L304 PolarHBondContact O-N 2.98Å
301L95.3Very high91.4Very high106 Ų106100.5 Ų100.556%0.55553%0.53SS*.Hα-helixtrans-62.4-44.2175.7-16781000111.5L297 T298 A303 L304 I305L297-L301 WeakPolarHBondContact O-CB 3.25Å; L297-L301 PolarHBondContact O-N 3.15Å; T298-L301 PolarHBondContact O-N 3.42Å; L301-A303 PolarHBondContact O-N 2.89Å; L301-L304 PolarHBondContact O-N 2.93Å; L301-I305 HydrophobicContact CD2-CD1 4.25Å; L301-I305 HydrophobicContact CG-CD1 4.02Å; L301-I305 VanDerWaalsContact O-CG1 3.31Å; L301-I305 WeakPolarHBondContact O-CG1 2.9Å; L301-I305 PolarHBondContact O-N 3.37Å
302A95.3Very high91.1Very high55 Ų55100.7 Ų100.746%0.45553%0.532SS..Hα-helixtrans-61.6-42.3177.100000111.8T298 L299 I305 F306T298-A302 WeakPolarHBondContact O-CB 3.42Å; T298-A302 PolarHBondContact O-N 3.09Å; L299-A302 PolarHBondContact O-N 2.96Å; A302-I305 PolarHBondContact O-N 3.49Å; A302-F306 WeakPolarHBondContact O-CB 3.42Å; A302-F306 PolarHBondContact O-N 3.02Å
303A94.6Very high90.2Very high61 Ų61100.8 Ų100.850%0.50453%0.529SS..Hα-helixtrans-63.5-39.5175.400000112.5L299 A300 L301 F306 R307L299-A303 WeakPolarHBondContact O-CB 3.39Å; L299-A303 PolarHBondContact O-N 3.34Å; A300-A303 PolarHBondContact O-N 3.02Å; L301-A303 PolarHBondContact O-N 2.89Å; A303-F306 PolarHBondContact O-N 2.66Å; A303-R307 VanDerWaalsContact O-CB 3.27Å; A303-R307 WeakPolarHBondContact O-CB 3.43Å; A303-R307 PolarHBondContact O-N 3.03Å
304L94.3Very high88.8Confident109 Ų109100.8 Ų100.857%0.57153%0.526SS*.Hα-helixtrans-67.2-41175.1-70.2173000112.3A300 L301 R308A300-L304 WeakPolarHBondContact O-CG 3.47Å; A300-L304 PolarHBondContact O-N 2.98Å; L301-L304 PolarHBondContact O-N 2.93Å; L304-R308 WeakPolarHBondContact O-CB 3.29Å; L304-R308 PolarHBondContact O-N 3.25Å
305I93.4Very high87Confident89 Ų89106.6 Ų106.646%0.45654%0.543SS..Hα-helixtrans-63.7-46.4174.4-68.8165.4000110.1L301 A302 R308 I309L301-I305 HydrophobicContact CD2-CD1 4.25Å; L301-I305 HydrophobicContact CG-CD1 4.02Å; L301-I305 VanDerWaalsContact O-CG1 3.31Å; L301-I305 WeakPolarHBondContact O-CG1 2.9Å; L301-I305 PolarHBondContact O-N 3.37Å; A302-I305 PolarHBondContact O-N 3.49Å; I305-R308 PolarHBondContact O-N 3.46Å; I305-I309 HydrophobicContact CG2-CD1 3.72Å; I305-I309 HydrophobicContact CG2-CG1 4.44Å; I305-I309 WeakPolarHBondContact O-CG1 3.48Å; I305-I309 PolarHBondContact O-N 3.16Å
306F93.2Very high85Confident146 Ų146110.9 Ų110.964%0.6456%0.556SS**Hα-helixtrans-64.1-43.8179.1-162.1-89.7000111.8A302 A303 R308 I309 Y310A302-F306 WeakPolarHBondContact O-CB 3.42Å; A302-F306 PolarHBondContact O-N 3.02Å; A303-F306 PolarHBondContact O-N 2.66Å; F306-R308 VanDerWaalsContact C-N 3.31Å; F306-R308 PolarHBondContact O-N 3.21Å; F306-I309 PolarHBondContact O-N 3.04Å; F306-Y310 WeakPolarHBondContact O-CB 3.31Å; F306-Y310 PolarHBondContact O-N 3.46Å
307R91.3Very high82.9Confident167 Ų167115.5 Ų115.563%0.6357%0.569SS**Hα-helixtrans-58.2-42.1172.9-175.6-179.5180-153-1.4111.7A303 L311A303-R307 VanDerWaalsContact O-CB 3.27Å; A303-R307 WeakPolarHBondContact O-CB 3.43Å; A303-R307 PolarHBondContact O-N 3.03Å; R307-L311 HydrophobicContact CG-CD1 4.04Å; R307-L311 WeakPolarHBondContact O-CB 3.48Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.49Å; R307-L311 PolarHBondContact O-N 3.09Å
308R90.8Very high81Confident202 Ų202117.4 Ų117.476%0.76258%0.58SS**Hα-helixtrans-65.9-41.7177.1-171.4-177-177.5-158.71.2112.2L304 I305 F306 A312L304-R308 WeakPolarHBondContact O-CB 3.29Å; L304-R308 PolarHBondContact O-N 3.25Å; I305-R308 PolarHBondContact O-N 3.46Å; F306-R308 VanDerWaalsContact C-N 3.31Å; F306-R308 PolarHBondContact O-N 3.21Å; R308-A312 VanDerWaalsContact O-CB 3.25Å; R308-A312 WeakPolarHBondContact O-CB 3.26Å; R308-A312 PolarHBondContact O-N 3.44Å
309I89Confident79Confident91 Ų91124.3 Ų124.347%0.46760%0.598SS.*Hα-helixtrans-66.9-42.9176.8-68.6167.4000110.7I305 F306 A312 N313I305-I309 HydrophobicContact CG2-CD1 3.72Å; I305-I309 HydrophobicContact CG2-CG1 4.44Å; I305-I309 WeakPolarHBondContact O-CG1 3.48Å; I305-I309 PolarHBondContact O-N 3.16Å; F306-I309 PolarHBondContact O-N 3.04Å; I309-A312 PolarHBondContact O-N 3.45Å; I309-N313 WeakPolarHBondContact O-CB 3.48Å; I309-N313 PolarHBondContact O-N 3.4Å
310Y84.6Confident77Confident130 Ų130126 Ų12651%0.5161%0.608SS.*Hα-helixtrans-60.8-51.9178.1-172.3-91.4000111.4F306 A312 N313 E314F306-Y310 WeakPolarHBondContact O-CB 3.31Å; F306-Y310 PolarHBondContact O-N 3.46Å; Y310-A312 VanDerWaalsContact C-N 3.27Å; Y310-A312 PolarHBondContact O-N 3.48Å; Y310-N313 PolarHBondContact O-N 3.39Å; Y310-E314 HydrophobicContact CD1-CG 4.4Å; Y310-E314 VanDerWaalsContact CE1-CD 3.48Å; Y310-E314 HydrophobicContact CE1-CG 3.98Å; Y310-E314 WeakPolarHBondContact CE1-OE1 3.35Å; Y310-E314 PolarHBondContact O-N 3.45Å; Y310-E314 PolarHBondContact OH-OE1 3.44Å; Y310-E314 VanDerWaalsContact OH-OE1 3.13Å
311L81.5Confident74.4Confident88 Ų88135.8 Ų135.846%0.46165%0.652SS.*Hα-helixtrans-61.1-33.4175.7-69.2171.1000112.6R307R307-L311 HydrophobicContact CG-CD1 4.04Å; R307-L311 WeakPolarHBondContact O-CB 3.48Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.49Å; R307-L311 PolarHBondContact O-N 3.09Å
312A76.2Confident73.4Confident57 Ų57137.3 Ų137.347%0.47166%0.657SS.*Hα-helixtrans-73.6-25.4175.100000113.6R308 I309 Y310R308-A312 VanDerWaalsContact O-CB 3.25Å; R308-A312 WeakPolarHBondContact O-CB 3.26Å; R308-A312 PolarHBondContact O-N 3.44Å; I309-A312 PolarHBondContact O-N 3.45Å; Y310-A312 VanDerWaalsContact C-N 3.27Å; Y310-A312 PolarHBondContact O-N 3.48Å
313N68.6Low72.2Confident97 Ų97141.6 Ų141.652%0.51967%0.668SS.*Hα-helixtrans-86.2-32178-90.13.6000113.2I309 Y310 Y315 K316I309-N313 WeakPolarHBondContact O-CB 3.48Å; I309-N313 PolarHBondContact O-N 3.4Å; Y310-N313 PolarHBondContact O-N 3.39Å; N313-Y315 PolarHBondContact O-N 3.18Å; N313-K316 PolarHBondContact O-N 2.79Å
314E59.1Low71Confident109 Ų109146.1 Ų146.151%0.50968%0.677SS.*Hα-helixtrans-62.3-26.9171-71.6-164.314800112Y310 K316Y310-E314 HydrophobicContact CD1-CG 4.4Å; Y310-E314 VanDerWaalsContact CE1-CD 3.48Å; Y310-E314 HydrophobicContact CE1-CG 3.98Å; Y310-E314 WeakPolarHBondContact CE1-OE1 3.35Å; Y310-E314 PolarHBondContact O-N 3.45Å; Y310-E314 PolarHBondContact OH-OE1 3.44Å; Y310-E314 VanDerWaalsContact OH-OE1 3.13Å; E314-K316 PolarHBondContact O-N 3.02Å
315Y52.4Low69.6Low217 Ų217148.2 Ų148.285%0.85168%0.683SS**THydrogen-bonded Turntrans-71-3.2170.2-97-84.4000115.3N313N313-Y315 PolarHBondContact O-N 3.18Å
316K52.5Low68.1Low171 Ų171151.9 Ų151.974%0.74370%0.697SS**THydrogen-bonded Turntrans-113.9-4.8179.4-80-170.7172.5-175.10115.2N313 E314N313-K316 PolarHBondContact O-N 2.79Å; E314-K316 PolarHBondContact O-N 3.02Å
317F49.8Very low66.5Low182 Ų182152.3 Ų152.380%0.79870%0.701SS**SBendtrans-110.361.8178.1-98.4-80.5000111.7
318N54.9Low64.7Low146 Ų146151.3 Ų151.378%0.78171%0.706SS**  trans-162.770.4164.6-92.5-47.7000110.1
319Y51.5Low62.7Low224 Ų224147.4 Ų147.488%0.87870%0.702SS**SBendtrans-156.5145.4148.3-94.7-66.5000109.7
320D53.5Low60.5Low149 Ų149152.1 Ų152.180%0.79772%0.721SS**  trans68.179.5172.5-55.1-18.3000118.6
321L41.7Very low58.3Low255 Ų255154.1 Ų154.1100%1.33574%0.74SS**  -157.80124.9-108.5161.5000111.4

Retrieved 321 of 321 residues in 57.8 ms (Link to these results)

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