A0A096MNG9_PAPAN Loading...

D-aminoacyl-tRNA deacylase 2

AlphaFold DB , UniProt , Accession A0A096MNG9, Species PAPAN (Papio anubis, Olive baboon), Gene DTD2, Length 168 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
1M40.6Very low70.1Confident239 Ų239109 Ų109100%1.17758%0.576SS**  0120.30-65-172.1-139.500106.2E3M1-E3 PolarHBondContact O-N 3.08Å; M1-E3 VanDerWaalsContact O-N 3.09Å
2A41.3Very low72.5Confident99 Ų9999.9 Ų99.982%0.81853%0.528SS*.  trans-66.4109.6177.400000107.4T4A2-T4 VanDerWaalsContact C-N 3.35Å; A2-T4 PolarHBondContact O-N 3.46Å
3E49.6Very low74.5Confident188 Ų18895.2 Ų95.288%0.87950%0.502SS*.  trans-55.5108.1163.4-83.3-175.8152.900106.1M1 S5M1-E3 PolarHBondContact O-N 3.08Å; M1-E3 VanDerWaalsContact O-N 3.09Å; E3-S5 PolarHBondContact O-N 3.3Å
4T46.7Very low76.2Confident134 Ų13488.4 Ų88.482%0.82247%0.467SS*.  trans-53.4114.3163.1-30.20000104.4A2 R6A2-T4 VanDerWaalsContact C-N 3.35Å; A2-T4 PolarHBondContact O-N 3.46Å; T4-R6 PolarHBondContact O-N 2.93Å
5S53.1Low77.7Confident112 Ų11284.7 Ų84.778%0.78345%0.446SS*.  trans-56.887-179161.30000108.7E3 M7E3-S5 PolarHBondContact O-N 3.3Å; S5-M7 PolarHBondContact O-N 3.4Å
6R69.3Low79.1Confident176 Ų17680.9 Ų80.966%0.66443%0.425SS*.PPolyproline II helixtrans-65121.4177.2-168.6173178.9152.93.4105.5T4 L8T4-R6 PolarHBondContact O-N 2.93Å; R6-L8 PolarHBondContact O-N 3.01Å
7M83.1Confident80.2Confident132 Ų13276.5 Ų76.565%0.6540%0.403SS*.PPolyproline II helixtrans-56.9127.5176.9-87.5178.548.300108.7S5 Q9S5-M7 PolarHBondContact O-N 3.4Å; M7-Q9 WeakPolarHBondContact O-CG 3.26Å; M7-Q9 PolarHBondContact O-N 3.1Å
8L92.9Very high81.2Confident44 Ų4476.3 Ų76.323%0.2340%0.401CS..PPolyproline II helixtrans-60.5119173.9-172.669.7000108.9R6 F49 E167 F168R6-L8 PolarHBondContact O-N 3.01Å; L8-F49 HydrophobicContact CB-CD2 4.18Å; L8-F49 HydrophobicContact CB-CE2 4.38Å; L8-F49 HydrophobicContact CD1-CE2 4.38Å; L8-F49 HydrophobicContact CD2-CD2 3.8Å; L8-F49 HydrophobicContact CD2-CE1 4.4Å; L8-F49 HydrophobicContact CD2-CE2 3.17Å; L8-F49 HydrophobicContact CD2-CZ 3.52Å; L8-F49 HydrophobicContact CG-CD2 3.57Å; L8-F49 HydrophobicContact CG-CE2 3.37Å; L8-F49 HydrophobicContact CG-CZ 4.23Å; L8-F49 VanDerWaalsContact O-CB 3.26Å; L8-F49 WeakPolarHBondContact O-CB 3.31Å; L8-F49 WeakPolarHBondContact O-CD2 3.46Å; L8-E167 HydrophobicContact CD1-CB 3.52Å; L8-E167 HydrophobicContact CD1-CG 3.82Å; L8-F168 CarbonylContact C-O 3.58Å
9Q97.1Very high82.2Confident29 Ų2974.5 Ų74.514%0.13639%0.39CS..  trans-96.9-37.4-176.9-57.3-164.5-88.500111.5M7 F49 A52 D53 I56 F168M7-Q9 WeakPolarHBondContact O-CG 3.26Å; M7-Q9 PolarHBondContact O-N 3.1Å; Q9-F49 PolarHBondContact O-N 2.9Å; Q9-A52 HydrophobicContact CB-CB 4.16Å; Q9-A52 WeakPolarHBondContact O-CB 3.45Å; Q9-D53 VanDerWaalsContact NE2-N 3.11Å; Q9-I56 HydrophobicContact CB-CG1 4.23Å; Q9-F168 PolarHBondContact N-O 3.16Å
10A98.3Very high83Confident0 Ų070.8 Ų70.80%037%0.371CS..EExtended strand (participates in β ladder)trans-151.3164.9175.100000112.7C47 F48 M60 F168A10-C47 CarbonylContact C-O 3.56Å; A10-C47 VanDerWaalsContact CA-O 3.28Å; A10-C47 WeakPolarHBondContact CA-O 3.29Å; A10-C47 WeakPolarHBondContact CB-O 3.27Å; A10-F48 HydrophobicContact CB-CD1 3.83Å; A10-F48 HydrophobicContact CB-CE1 4.21Å; A10-M60 HydrophobicContact CB-CE 3.58Å; A10-M60 HydrophobicContact CB-SD 3.53Å; A10-M60 VanDerWaalsContact CB-SD 3.53Å; A10-F168 HydrophobicContact CB-CB 4.12Å; A10-F168 HydrophobicContact CB-CD2 4.29Å; A10-F168 PolarHBondContact N-O 3.13Å; A10-F168 PolarHBondContact O-N 3.41Å
11R98.6Very high83.8Confident46 Ų4671.6 Ų71.617%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-137.3132.9173.4-178.5178-68.8167.9-2109C47 F49 L95 L165 E167R11-C47 PolarHBondContact N-O 3.45Å; R11-C47 PolarHBondContact O-N 2.91Å; R11-F49 HydrophobicContact CB-CE2 3.81Å; R11-F49 HydrophobicContact CB-CZ 4.02Å; R11-L95 PolarHBondContact NH1-O 3.48Å; R11-L165 HydrophobicContact CG-CD1 3.71Å; R11-L165 HydrophobicContact CG-CD2 4.42Å; R11-L165 HydrophobicContact CG-CG 4.15Å; R11-E167 HydrophobicContact CG-CG 4.4Å; R11-E167 IonicContact CZ-OE1 2.85Å; R11-E167 IonicContact NE-OE1 3.51Å; R11-E167 PolarHBondContact NE-OE1 3.44Å; R11-E167 IonicContact NH2-OE1 2.65Å; R11-E167 PolarHBondContact NH2-OE1 3.45Å
12A98.9Very high86.5Confident0 Ų060.2 Ų60.20%031%0.313CS..EExtended strand (participates in β ladder)trans-122.6135.517500000110.4L14 I44 Y45 L64 L165 I166 F168A12-L14 HydrophobicContact CB-CD1 3.78Å; A12-I44 HydrophobicContact CB-CG2 4.46Å; A12-Y45 CarbonylContact C-O 3.44Å; A12-Y45 WeakPolarHBondContact CA-O 3.33Å; A12-L64 HydrophobicContact CB-CD1 3.66Å; A12-L64 HydrophobicContact CB-CD2 3.99Å; A12-L64 HydrophobicContact CB-CG 4.47Å; A12-L165 WeakPolarHBondContact O-CA 3.5Å; A12-L165 WeakPolarHBondContact O-CD1 3.42Å; A12-I166 PolarHBondContact N-O 2.93Å; A12-I166 PolarHBondContact O-N 3.43Å; A12-F168 HydrophobicContact CB-CE2 4.27Å
13L98.9Very high89.3Confident38 Ų3856.8 Ų56.820%0.19928%0.28CS..EExtended strand (participates in β ladder)trans-109.7129.9167.6-177.4146.1000108.1Q15 Y45 L95 T163 H164 L165L13-Q15 HydrophobicContact CD2-CG 3.74Å; L13-Y45 HydrophobicContact CB-CD2 4.42Å; L13-Y45 HydrophobicContact CD2-CD2 3.46Å; L13-Y45 VanDerWaalsContact CD2-CD2 3.46Å; L13-Y45 HydrophobicContact CD2-CE2 3.79Å; L13-Y45 HydrophobicContact CD2-CG 4.27Å; L13-Y45 PolarHBondContact N-O 3.09Å; L13-Y45 WeakPolarHBondContact O-CD2 3.48Å; L13-Y45 PolarHBondContact O-N 3.42Å; L13-L95 HydrophobicContact CB-CD1 4.04Å; L13-L95 HydrophobicContact CB-CD2 4.13Å; L13-L95 HydrophobicContact CD1-CD2 4.21Å; L13-T163 HydrophobicContact CD1-CG2 3.93Å; L13-T163 HydrophobicContact CD2-CG2 3.79Å; L13-T163 HydrophobicContact CG-CG2 3.8Å; L13-H164 CarbonylContact C-O 3.52Å; L13-H164 WeakPolarHBondContact CA-O 3.37Å; L13-L165 HydrophobicContact CB-CD1 3.99Å; L13-L165 HydrophobicContact CD1-CD1 4.34Å
14L98.9Very high91.6Very high1 Ų149.9 Ų49.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-115.5134.2-173.2-87.669.2000109.1A12 L42 V43 I44 L64 V67 L69 T163 H164 I166A12-L14 HydrophobicContact CB-CD1 3.78Å; L14-L42 HydrophobicContact CB-CD1 3.98Å; L14-L42 HydrophobicContact CD2-CD1 4.05Å; L14-L42 HydrophobicContact CD2-CD2 4.01Å; L14-L42 HydrophobicContact CG-CD1 4Å; L14-L42 HydrophobicContact CG-CD2 4.4Å; L14-V43 WeakPolarHBondContact CA-O 3.46Å; L14-I44 HydrophobicContact CD1-CG2 4.3Å; L14-I44 HydrophobicContact CG-CG1 4.49Å; L14-L64 HydrophobicContact CD1-CD2 3.68Å; L14-L64 HydrophobicContact CD2-CD2 4.12Å; L14-V67 HydrophobicContact CD2-CG1 3.88Å; L14-L69 HydrophobicContact CB-CD1 4.22Å; L14-L69 HydrophobicContact CD2-CD1 3.82Å; L14-T163 VanDerWaalsContact O-CA 3.28Å; L14-T163 WeakPolarHBondContact O-CA 3.35Å; L14-H164 PolarHBondContact N-O 3.47Å; L14-H164 PolarHBondContact O-N 3.24Å; L14-I166 HydrophobicContact CD2-CD1 4.31Å
15Q98.9Very high94Very high33 Ų3350 Ų5015%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-136.4139.6173.7-62.7-172.1-62.800111.3L13 V43 Y45 P161 T163L13-Q15 HydrophobicContact CD2-CG 3.74Å; Q15-V43 PolarHBondContact N-O 3.4Å; Q15-V43 PolarHBondContact O-N 3.33Å; Q15-Y45 HydrophobicContact CG-CE2 4.15Å; Q15-Y45 VanDerWaalsContact OE1-CE2 3.25Å; Q15-Y45 PolarHBondContact OE1-OH 3.45Å; Q15-P161 CarbonylContact C-O 3.54Å; Q15-P161 VanDerWaalsContact CA-O 3.28Å; Q15-P161 WeakPolarHBondContact CA-O 3.2Å; Q15-P161 HydrophobicContact CB-CB 4.22Å; Q15-P161 HydrophobicContact CG-CB 4.28Å; Q15-T163 HydrophobicContact CG-CG2 3.98Å; Q15-T163 PolarHBondContact NE2-OG1 3.09Å
16Q98.8Very high96.1Very high24 Ų2446.9 Ų46.911%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-78.8145.1169.9-60.4-64.3-50.200110.1L69 S70 T158 P161 F162Q16-L69 PolarHBondContact NE2-O 2.96Å; Q16-S70 PolarHBondContact NE2-OG 3.03Å; Q16-S70 PolarHBondContact OE1-OG 3.36Å; Q16-T158 WeakPolarHBondContact O-CG2 3.39Å; Q16-P161 PolarHBondContact N-O 2.82Å; Q16-F162 HydrophobicContact CG-CB 4.18Å
17C98.7Very high97.3Very high6 Ų641.6 Ų41.64%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-138.7153.5176.570.10000112.1R40 G41 V43 L156 D157C17-R40 VanDerWaalsContact O-CA 3.31Å; C17-R40 WeakPolarHBondContact O-CA 3.4Å; C17-G41 PolarHBondContact N-O 2.97Å; C17-G41 PolarHBondContact O-N 3.35Å; C17-G41 PolarHBondContact SG-O 2.98Å; C17-G41 VanDerWaalsContact SG-O 3.36Å; C17-V43 HydrophobicContact CB-CG2 4.17Å; C17-L156 HydrophobicContact CB-CD1 3.53Å; C17-L156 HydrophobicContact CB-CG 4.43Å; C17-D157 CarbonylContact C-O 3.54Å; C17-D157 WeakPolarHBondContact CA-O 3.46Å
18L98.6Very high97.9Very high73 Ų7341.5 Ų41.538%0.38220%0.203SC..EExtended strand (participates in β ladder)trans-88.3-35.8165.3-61.2-179.5000110.7Q39 R40 D157 N159L18-Q39 CarbonylContact O-C 3.57Å; L18-R40 WeakPolarHBondContact O-CA 3.46Å; L18-R40 PolarHBondContact O-N 3.19Å; L18-D157 PolarHBondContact N-O 2.82Å; L18-N159 HydrophobicContact CD1-CB 4.12Å; L18-N159 HydrophobicContact CD2-CB 4.24Å; L18-N159 HydrophobicContact CG-CB 4.31Å
19H98.8Very high97.9Very high41 Ų4143.3 Ų43.319%0.1923%0.232CC..EExtended strand (participates in β ladder)trans-155.1144.9175.5177.3-97.7000109.1E37 V38 D157H19-E37 IonicContact CE1-OE2 2.83Å; H19-E37 PolarHBondContact CE1-OE2 2.59Å; H19-E37 IonicContact NE2-OE2 3.6Å; H19-E37 PolarHBondContact NE2-OE2 2.95Å; H19-V38 CarbonylContact C-O 3.58Å; H19-V38 WeakPolarHBondContact CA-O 3.46Å; H19-V38 PolarHBondContact CD2-O 3.41Å; H19-D157 HydrophobicContact CB-CB 4.33Å; H19-D157 PolarHBondContact N-O 3.1Å; H19-D157 PolarHBondContact O-N 2.93Å
20A98.8Very high97.7Very high0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-138.9143.3169.900000110.5E37 V38 V43 L88 L154 K155 L156A20-E37 CarbonylContact O-C 3.58Å; A20-E37 WeakPolarHBondContact O-CA 3.49Å; A20-V38 HydrophobicContact CB-CG2 3.74Å; A20-V38 PolarHBondContact N-O 2.88Å; A20-V38 PolarHBondContact O-N 3.06Å; A20-V43 HydrophobicContact CB-CG2 4.32Å; A20-L88 HydrophobicContact CB-CD2 3.68Å; A20-L154 HydrophobicContact CB-CD1 4.46Å; A20-K155 WeakPolarHBondContact CA-O 3.29Å; A20-L156 HydrophobicContact CB-CD1 3.57Å
21R98.8Very high97.6Very high88 Ų8853.2 Ų53.233%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-128124.9175.8176.1-175.8-177.2133-6.6110W35 V36 E37 L154 K155R21-W35 HydrophobicContact CG-CB 4.32Å; R21-W35 HydrophobicContact CG-CD2 4.34Å; R21-W35 HydrophobicContact CG-CE3 3.72Å; R21-W35 HydrophobicContact CG-CZ3 4.42Å; R21-W35 VanDerWaalsContact NH2-CD1 3.34Å; R21-V36 WeakPolarHBondContact CA-O 3.4Å; R21-E37 HydrophobicContact CB-CG 3.82Å; R21-E37 WeakPolarHBondContact CD-OE1 3.38Å; R21-E37 HydrophobicContact CG-CG 3.76Å; R21-E37 WeakPolarHBondContact CG-OE1 3.13Å; R21-E37 IonicContact CZ-OE1 2.74Å; R21-E37 IonicContact NE-OE1 2.87Å; R21-E37 IonicContact NH1-OE1 2.59Å; R21-E37 PolarHBondContact NH1-OE1 2.74Å; R21-L154 WeakPolarHBondContact O-CA 3.36Å; R21-K155 HydrophobicContact CB-CB 4.4Å; R21-K155 PolarHBondContact N-O 3.2Å; R21-K155 PolarHBondContact O-N 3.3Å
22L98.9Very high97.5Very high0 Ų055 Ų550%032%0.319CS..EExtended strand (participates in β ladder)trans-125.2134-176.8-177.864.7000111.4W35 V36 L88 I90 G146 Q152 L154L22-W35 VanDerWaalsContact C-CE3 3.5Å; L22-W35 CarbonylContact O-C 3.51Å; L22-W35 VanDerWaalsContact O-CA 3.27Å; L22-W35 WeakPolarHBondContact O-CA 3.31Å; L22-V36 HydrophobicContact CB-CG2 4.09Å; L22-V36 PolarHBondContact N-O 2.99Å; L22-V36 PolarHBondContact O-N 3.48Å; L22-L88 HydrophobicContact CB-CD1 4.18Å; L22-L88 HydrophobicContact CB-CD2 4.17Å; L22-L88 HydrophobicContact CD2-CD1 3.78Å; L22-L88 HydrophobicContact CD2-CD2 4.48Å; L22-L88 HydrophobicContact CD2-CG 4.37Å; L22-I90 HydrophobicContact CD1-CD1 4.38Å; L22-I90 HydrophobicContact CD2-CD1 4.36Å; L22-I90 HydrophobicContact CD2-CG1 4.01Å; L22-G146 VanDerWaalsContact CD2-CA 3.41Å; L22-Q152 HydrophobicContact CD1-CB 4.18Å; L22-L154 HydrophobicContact CB-CD1 4.38Å; L22-L154 HydrophobicContact CD1-CB 4.25Å; L22-L154 HydrophobicContact CD1-CD1 4.3Å
23Q98.7Very high97.5Very high28 Ų2856.1 Ų56.113%0.13133%0.328CS..EExtended strand (participates in β ladder)trans-73.5127.1171.1-175.1175.686.900110.2R25 A33 Q34 W35 V153Q23-R25 WeakPolarHBondContact CG-O 3.49Å; Q23-A33 HydrophobicContact CG-CB 4.33Å; Q23-A33 VanDerWaalsContact NE2-CB 3.26Å; Q23-Q34 WeakPolarHBondContact CA-O 3.39Å; Q23-W35 VanDerWaalsContact CA-CE3 3.49Å; Q23-W35 HydrophobicContact CB-CD2 4.17Å; Q23-W35 HydrophobicContact CB-CE3 3.71Å; Q23-W35 HydrophobicContact CB-CH2 3.87Å; Q23-W35 HydrophobicContact CB-CZ2 4.29Å; Q23-W35 HydrophobicContact CB-CZ3 3.57Å; Q23-W35 HydrophobicContact CG-CH2 4.45Å; Q23-W35 HydrophobicContact CG-CZ2 4.44Å; Q23-W35 VanDerWaalsContact N-CE3 3.25Å; Q23-V153 HydrophobicContact CB-CB 3.85Å; Q23-V153 HydrophobicContact CB-CG2 4.46Å; Q23-V153 PolarHBondContact N-O 3.22Å
24I98.1Very high97.4Very high42 Ų4258.2 Ų58.222%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-103.2-29.3175.254.5161.5000112.1Q34 V36 T147 N150I24-Q34 HydrophobicContact CD1-CB 4.29Å; I24-Q34 HydrophobicContact CG1-CB 3.93Å; I24-Q34 PolarHBondContact N-O 2.89Å; I24-V36 HydrophobicContact CD1-CG1 3.75Å; I24-V36 HydrophobicContact CG1-CG1 4.17Å; I24-V36 HydrophobicContact CG2-CB 4.36Å; I24-V36 HydrophobicContact CG2-CG1 3.75Å; I24-V36 HydrophobicContact CG2-CG2 3.75Å; I24-T147 VanDerWaalsContact O-CB 3.29Å; I24-T147 WeakPolarHBondContact O-CB 3.18Å; I24-T147 PolarHBondContact O-OG1 3.19Å; I24-N150 PolarHBondContact O-ND2 3.22Å
25R97.7Very high97.4Very high137 Ų13762.4 Ų62.452%0.51735%0.353SS..EExtended strand (participates in β ladder)trans-132.1130.1174.7-165.7-179.6-65.2-178.60.4110.3Q23 A33 Q34Q23-R25 WeakPolarHBondContact CG-O 3.49Å; R25-A33 CarbonylContact O-C 3.44Å; R25-A33 VanDerWaalsContact O-CA 3.31Å; R25-A33 WeakPolarHBondContact O-CA 3.45Å; R25-A33 WeakPolarHBondContact O-CB 3.46Å; R25-Q34 HydrophobicContact CB-CB 3.86Å; R25-Q34 HydrophobicContact CB-CG 4.11Å; R25-Q34 VanDerWaalsContact CZ-OE1 3.27Å; R25-Q34 PolarHBondContact N-O 3.39Å; R25-Q34 PolarHBondContact O-N 3.36Å
26P96.2Very high97.4Very high46 Ų4661.8 Ų61.830%0.29935%0.351SS..  trans-65.1163.6172.430.1-34.9000110.9
27A95.8Very high97.4Very high65 Ų6564.5 Ų64.554%0.53736%0.364SS..  trans-70.3135.9168.800000109.4A31 A33A27-A31 VanDerWaalsContact CA-O 3.24Å; A27-A31 WeakPolarHBondContact CA-O 3.32Å; A27-A31 WeakPolarHBondContact CB-O 3.18Å; A27-A33 HydrophobicContact CB-CB 4.31Å
28E94.5Very high97.4Very high131 Ų13164.2 Ų64.261%0.61236%0.362SS*.BIsolated β-bridgetrans-137.4116.5-179.6-72.2-177-17400109.6D30 A31E28-D30 PolarHBondContact O-N 2.85Å; E28-A31 PolarHBondContact N-O 3.28Å; E28-A31 VanDerWaalsContact N-O 3.15Å; E28-A31 WeakPolarHBondContact O-CB 3.46Å; E28-A31 PolarHBondContact O-N 3.17Å
29G93.2Very high97.4Very high82 Ų8266.2 Ų66.285%0.84537%0.369SS*.THydrogen-bonded Turntrans58.3-124.5-171.600000111.2
30D94.3Very high97.4Very high177 Ų17769.2 Ų69.295%0.94738%0.379SS*.THydrogen-bonded Turntrans-84.5-8177.6-60.9-39.3000113.5E28 A32E28-D30 PolarHBondContact O-N 2.85Å; D30-A32 PolarHBondContact O-N 2.83Å
31A95.8Very high97.4Very high60 Ų6069.2 Ų69.250%0.49638%0.379SS..BIsolated β-bridgetrans-77.1121.9179.600000110.7A27 E28A27-A31 VanDerWaalsContact CA-O 3.24Å; A27-A31 WeakPolarHBondContact CA-O 3.32Å; A27-A31 WeakPolarHBondContact CB-O 3.18Å; E28-A31 PolarHBondContact N-O 3.28Å; E28-A31 VanDerWaalsContact N-O 3.15Å; E28-A31 WeakPolarHBondContact O-CB 3.46Å; E28-A31 PolarHBondContact O-N 3.17Å
32A96.8Very high97.4Very high83 Ų8365.2 Ų65.269%0.68636%0.364SS*.PPolyproline II helixtrans-64.6150.617300000111.5D30D30-A32 PolarHBondContact O-N 2.83Å
33A97.5Very high97.4Very high23 Ų2365.2 Ų65.219%0.1936%0.364CS..PPolyproline II helixtrans-59.1143.1174.100000111.7Q23 R25 A27 W35Q23-A33 HydrophobicContact CG-CB 4.33Å; Q23-A33 VanDerWaalsContact NE2-CB 3.26Å; R25-A33 CarbonylContact O-C 3.44Å; R25-A33 VanDerWaalsContact O-CA 3.31Å; R25-A33 WeakPolarHBondContact O-CA 3.45Å; R25-A33 WeakPolarHBondContact O-CB 3.46Å; A27-A33 HydrophobicContact CB-CB 4.31Å; A33-W35 HydrophobicContact CB-CZ2 4.28Å; A33-W35 PolarHBondContact O-NE1 2.99Å
34Q98.4Very high97.4Very high83 Ų8363.9 Ų63.939%0.38836%0.358SS..EExtended strand (participates in β ladder)trans-100.5145.6178.6-60-179-24.200111Q23 I24 R25Q23-Q34 WeakPolarHBondContact CA-O 3.39Å; I24-Q34 HydrophobicContact CD1-CB 4.29Å; I24-Q34 HydrophobicContact CG1-CB 3.93Å; I24-Q34 PolarHBondContact N-O 2.89Å; R25-Q34 HydrophobicContact CB-CB 3.86Å; R25-Q34 HydrophobicContact CB-CG 4.11Å; R25-Q34 VanDerWaalsContact CZ-OE1 3.27Å; R25-Q34 PolarHBondContact N-O 3.39Å; R25-Q34 PolarHBondContact O-N 3.36Å
35W98.7Very high97.4Very high89 Ų8963 Ų6334%0.33735%0.352SS..EExtended strand (participates in β ladder)trans-136.1149.6-171.1-54.982.9000110.8R21 L22 Q23 A33 V153R21-W35 HydrophobicContact CG-CB 4.32Å; R21-W35 HydrophobicContact CG-CD2 4.34Å; R21-W35 HydrophobicContact CG-CE3 3.72Å; R21-W35 HydrophobicContact CG-CZ3 4.42Å; R21-W35 VanDerWaalsContact NH2-CD1 3.34Å; L22-W35 VanDerWaalsContact C-CE3 3.5Å; L22-W35 CarbonylContact O-C 3.51Å; L22-W35 VanDerWaalsContact O-CA 3.27Å; L22-W35 WeakPolarHBondContact O-CA 3.31Å; Q23-W35 VanDerWaalsContact CA-CE3 3.49Å; Q23-W35 HydrophobicContact CB-CD2 4.17Å; Q23-W35 HydrophobicContact CB-CE3 3.71Å; Q23-W35 HydrophobicContact CB-CH2 3.87Å; Q23-W35 HydrophobicContact CB-CZ2 4.29Å; Q23-W35 HydrophobicContact CB-CZ3 3.57Å; Q23-W35 HydrophobicContact CG-CH2 4.45Å; Q23-W35 HydrophobicContact CG-CZ2 4.44Å; Q23-W35 VanDerWaalsContact N-CE3 3.25Å; A33-W35 HydrophobicContact CB-CZ2 4.28Å; A33-W35 PolarHBondContact O-NE1 2.99Å; W35-V153 HydrophobicContact CH2-CB 4.2Å; W35-V153 HydrophobicContact CH2-CG1 3.71Å; W35-V153 HydrophobicContact CZ3-CB 4.29Å; W35-V153 HydrophobicContact CZ3-CG1 4.03Å
36V98.7Very high97.5Very high20 Ų2056.6 Ų56.612%0.12133%0.328CS..EExtended strand (participates in β ladder)trans-117.7153.3165.5-60.60000108.8R21 L22 I24 L88 E144R21-V36 WeakPolarHBondContact CA-O 3.4Å; L22-V36 HydrophobicContact CB-CG2 4.09Å; L22-V36 PolarHBondContact N-O 2.99Å; L22-V36 PolarHBondContact O-N 3.48Å; I24-V36 HydrophobicContact CD1-CG1 3.75Å; I24-V36 HydrophobicContact CG1-CG1 4.17Å; I24-V36 HydrophobicContact CG2-CB 4.36Å; I24-V36 HydrophobicContact CG2-CG1 3.75Å; I24-V36 HydrophobicContact CG2-CG2 3.75Å; V36-L88 HydrophobicContact CG2-CD1 4.39Å; V36-E144 HydrophobicContact CB-CB 4.29Å; V36-E144 HydrophobicContact CB-CG 4.16Å; V36-E144 WeakPolarHBondContact CB-OE2 3.28Å; V36-E144 VanDerWaalsContact CG1-OE2 3.31Å; V36-E144 WeakPolarHBondContact CG1-OE2 3.12Å; V36-E144 HydrophobicContact CG2-CB 4.02Å; V36-E144 HydrophobicContact CG2-CG 4.44Å
37E98.6Very high97.6Very high80 Ų8054.5 Ų54.537%0.37432%0.315SS..EExtended strand (participates in β ladder)trans-135.9143.4179.6-62.4-168175.600110.5H19 A20 R21H19-E37 IonicContact CE1-OE2 2.83Å; H19-E37 PolarHBondContact CE1-OE2 2.59Å; H19-E37 IonicContact NE2-OE2 3.6Å; H19-E37 PolarHBondContact NE2-OE2 2.95Å; A20-E37 CarbonylContact O-C 3.58Å; A20-E37 WeakPolarHBondContact O-CA 3.49Å; R21-E37 HydrophobicContact CB-CG 3.82Å; R21-E37 WeakPolarHBondContact CD-OE1 3.38Å; R21-E37 HydrophobicContact CG-CG 3.76Å; R21-E37 WeakPolarHBondContact CG-OE1 3.13Å; R21-E37 IonicContact CZ-OE1 2.74Å; R21-E37 IonicContact NE-OE1 2.87Å; R21-E37 IonicContact NH1-OE1 2.59Å; R21-E37 PolarHBondContact NH1-OE1 2.74Å
38V98.6Very high97.7Very high1 Ų151.8 Ų51.81%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-122.1141.4169.9-64.30000109.4H19 A20 N86 L88 V142 E144H19-V38 CarbonylContact C-O 3.58Å; H19-V38 WeakPolarHBondContact CA-O 3.46Å; H19-V38 PolarHBondContact CD2-O 3.41Å; A20-V38 HydrophobicContact CB-CG2 3.74Å; A20-V38 PolarHBondContact N-O 2.88Å; A20-V38 PolarHBondContact O-N 3.06Å; V38-N86 HydrophobicContact CB-CB 3.72Å; V38-N86 HydrophobicContact CG1-CB 4.06Å; V38-L88 HydrophobicContact CG1-CB 4.34Å; V38-L88 HydrophobicContact CG2-CB 3.84Å; V38-L88 HydrophobicContact CG2-CD2 4.44Å; V38-V142 HydrophobicContact CG1-CG2 4.24Å; V38-E144 HydrophobicContact CG1-CB 3.74Å; V38-E144 HydrophobicContact CG1-CG 3.7Å
39Q98.6Very high97.9Very high114 Ų11446 Ų4653%0.53326%0.263SS..EExtended strand (participates in β ladder)trans-77.5-167.2165.7-54.7-57.6-4500109.6L18 G41 N86L18-Q39 CarbonylContact O-C 3.57Å; Q39-G41 PolarHBondContact O-N 3.42Å; Q39-N86 WeakPolarHBondContact CB-ND2 3.28Å; Q39-N86 PolarHBondContact N-ND2 2.83Å; Q39-N86 VanDerWaalsContact N-ND2 3.17Å
40R98.4Very high98Very high105 Ų10547.4 Ų47.440%0.39625%0.246SC..EExtended strand (participates in β ladder)trans-39.8125-177.9-175.6172.4-178-109.4-2113C17 L18 E71 L83 G85 N86C17-R40 VanDerWaalsContact O-CA 3.31Å; C17-R40 WeakPolarHBondContact O-CA 3.4Å; L18-R40 WeakPolarHBondContact O-CA 3.46Å; L18-R40 PolarHBondContact O-N 3.19Å; R40-E71 PolarHBondContact NH2-O 2.81Å; R40-L83 VanDerWaalsContact NH1-CD1 3.26Å; R40-G85 WeakPolarHBondContact O-CA 3.34Å; R40-N86 PolarHBondContact O-N 3Å
41G98.6Very high98Very high0 Ų041.6 Ų41.60%023%0.229CC..EExtended strand (participates in β ladder)trans178.2-168.6-167.300000116.3C17 Q39 N86C17-G41 PolarHBondContact N-O 2.97Å; C17-G41 PolarHBondContact O-N 3.35Å; C17-G41 PolarHBondContact SG-O 2.98Å; C17-G41 VanDerWaalsContact SG-O 3.36Å; Q39-G41 PolarHBondContact O-N 3.42Å; G41-N86 CarbonylContact C-O 3.33Å; G41-N86 WeakPolarHBondContact CA-O 3.38Å
42L98.9Very high97.9Very high3 Ų339.3 Ų39.32%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-111126.9179.9178.869.1000110.5L14 I44 I80 N86 I87 L88L14-L42 HydrophobicContact CB-CD1 3.98Å; L14-L42 HydrophobicContact CD2-CD1 4.05Å; L14-L42 HydrophobicContact CD2-CD2 4.01Å; L14-L42 HydrophobicContact CG-CD1 4Å; L14-L42 HydrophobicContact CG-CD2 4.4Å; L42-I44 HydrophobicContact CD2-CD1 3.94Å; L42-I44 HydrophobicContact CD2-CG1 3.82Å; L42-I44 HydrophobicContact CG-CD1 4.48Å; L42-I44 HydrophobicContact CG-CG1 3.88Å; L42-I80 HydrophobicContact CB-CB 4.25Å; L42-I80 HydrophobicContact CB-CD1 3.82Å; L42-I80 HydrophobicContact CB-CG1 3.8Å; L42-I80 HydrophobicContact CD2-CB 4.27Å; L42-I80 HydrophobicContact CD2-CG2 4.17Å; L42-N86 PolarHBondContact N-O 2.9Å; L42-I87 WeakPolarHBondContact O-CA 3.49Å; L42-L88 PolarHBondContact O-N 2.96Å
43V98.9Very high97.6Very high0 Ų039.1 Ų39.10%020%0.197CC..EExtended strand (participates in β ladder)trans-96.3125.1168.6-1720000109.1L14 Q15 C17 A20 Y45 L88 I90 L156L14-V43 WeakPolarHBondContact CA-O 3.46Å; Q15-V43 PolarHBondContact N-O 3.4Å; Q15-V43 PolarHBondContact O-N 3.33Å; C17-V43 HydrophobicContact CB-CG2 4.17Å; A20-V43 HydrophobicContact CB-CG2 4.32Å; V43-Y45 HydrophobicContact CB-CE2 4.18Å; V43-Y45 HydrophobicContact CG1-CD2 4.11Å; V43-Y45 HydrophobicContact CG1-CE1 4.41Å; V43-Y45 HydrophobicContact CG1-CE2 3.55Å; V43-L88 CarbonylContact C-O 3.59Å; V43-L88 WeakPolarHBondContact CA-O 3.32Å; V43-L88 HydrophobicContact CG1-CB 4.42Å; V43-L88 HydrophobicContact CG1-CD2 4.36Å; V43-L88 HydrophobicContact CG1-CG 4.47Å; V43-L88 HydrophobicContact CG2-CB 4.29Å; V43-L88 HydrophobicContact CG2-CD2 4.42Å; V43-I90 HydrophobicContact CG1-CD1 3.7Å; V43-I90 HydrophobicContact CG1-CG1 4.16Å; V43-L156 HydrophobicContact CG2-CD1 3.71Å
44I98.9Very high97.3Very high0 Ų042.5 Ų42.50%021%0.207CC..EExtended strand (participates in β ladder)trans-114.6110-179.7-52.8176.9000108.7A12 L14 L42 L64 L65 I87 L88 I89 I90 F122A12-I44 HydrophobicContact CB-CG2 4.46Å; L14-I44 HydrophobicContact CD1-CG2 4.3Å; L14-I44 HydrophobicContact CG-CG1 4.49Å; L42-I44 HydrophobicContact CD2-CD1 3.94Å; L42-I44 HydrophobicContact CD2-CG1 3.82Å; L42-I44 HydrophobicContact CG-CD1 4.48Å; L42-I44 HydrophobicContact CG-CG1 3.88Å; I44-L64 HydrophobicContact CD1-CB 4.41Å; I44-L64 HydrophobicContact CG2-CD1 3.9Å; I44-L65 HydrophobicContact CD1-CD2 4.1Å; I44-I87 HydrophobicContact CD1-CG2 3.95Å; I44-I87 HydrophobicContact CG1-CG2 4.43Å; I44-L88 PolarHBondContact N-O 2.99Å; I44-I89 CarbonylContact O-C 3.55Å; I44-I89 WeakPolarHBondContact O-CA 3.46Å; I44-I90 PolarHBondContact O-N 2.96Å; I44-F122 HydrophobicContact CG2-CE1 4.4Å; I44-F122 HydrophobicContact CG2-CZ 4.37Å
45Y98.9Very high97.1Very high23 Ų2346 Ų469%0.0922%0.224CC..EExtended strand (participates in β ladder)trans-92.6125.1171.1-55.9-99.3000108.7A12 L13 Q15 V43 I90 Q92 L154A12-Y45 CarbonylContact C-O 3.44Å; A12-Y45 WeakPolarHBondContact CA-O 3.33Å; L13-Y45 HydrophobicContact CB-CD2 4.42Å; L13-Y45 HydrophobicContact CD2-CD2 3.46Å; L13-Y45 VanDerWaalsContact CD2-CD2 3.46Å; L13-Y45 HydrophobicContact CD2-CE2 3.79Å; L13-Y45 HydrophobicContact CD2-CG 4.27Å; L13-Y45 PolarHBondContact N-O 3.09Å; L13-Y45 WeakPolarHBondContact O-CD2 3.48Å; L13-Y45 PolarHBondContact O-N 3.42Å; Q15-Y45 HydrophobicContact CG-CE2 4.15Å; Q15-Y45 VanDerWaalsContact OE1-CE2 3.25Å; Q15-Y45 PolarHBondContact OE1-OH 3.45Å; V43-Y45 HydrophobicContact CB-CE2 4.18Å; V43-Y45 HydrophobicContact CG1-CD2 4.11Å; V43-Y45 HydrophobicContact CG1-CE1 4.41Å; V43-Y45 HydrophobicContact CG1-CE2 3.55Å; Y45-I90 WeakPolarHBondContact CA-O 3.38Å; Y45-I90 HydrophobicContact CD1-CB 3.86Å; Y45-I90 HydrophobicContact CD1-CD1 4.16Å; Y45-I90 HydrophobicContact CD1-CG2 3.96Å; Y45-I90 HydrophobicContact CE1-CB 4.3Å; Y45-I90 HydrophobicContact CE1-CD1 3.7Å; Y45-I90 HydrophobicContact CE1-CG2 4.31Å; Y45-I90 HydrophobicContact CG-CB 4.48Å; Y45-Q92 HydrophobicContact CD1-CB 4.21Å; Y45-Q92 HydrophobicContact CD1-CG 4.2Å; Y45-L154 HydrophobicContact CE1-CD2 4.07Å; Y45-L154 WeakPolarHBondContact OH-CD2 3.38Å
46V98.8Very high97Very high3 Ų342 Ų422%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-123.2139.8-172.668.20000113F48 M60 I89 I90 Q92 Y119 F122V46-F48 HydrophobicContact CG1-CE2 4.16Å; V46-F48 HydrophobicContact CG2-CD2 4.42Å; V46-F48 HydrophobicContact CG2-CE1 4.1Å; V46-F48 HydrophobicContact CG2-CE2 3.77Å; V46-F48 HydrophobicContact CG2-CZ 3.59Å; V46-M60 HydrophobicContact CG2-CE 3.72Å; V46-I89 HydrophobicContact CG1-CG2 4.4Å; V46-I90 PolarHBondContact N-O 3.06Å; V46-Q92 CarbonylContact O-C 3.56Å; V46-Q92 PolarHBondContact O-N 3.34Å; V46-Y119 HydrophobicContact CG1-CD2 3.78Å; V46-Y119 HydrophobicContact CG1-CE2 4.04Å; V46-F122 HydrophobicContact CG1-CD1 4.46Å
47C98.6Very high97Very high3 Ų341.1 Ų41.12%0.0220%0.204CC..EExtended strand (participates in β ladder)trans-133.5132.6172.9176.80000109.9A10 R11 Q92 A93 L95A10-C47 CarbonylContact C-O 3.56Å; A10-C47 VanDerWaalsContact CA-O 3.28Å; A10-C47 WeakPolarHBondContact CA-O 3.29Å; A10-C47 WeakPolarHBondContact CB-O 3.27Å; R11-C47 PolarHBondContact N-O 3.45Å; R11-C47 PolarHBondContact O-N 2.91Å; C47-Q92 WeakPolarHBondContact CB-O 3.33Å; C47-A93 PolarHBondContact SG-O 2.78Å; C47-L95 HydrophobicContact CB-CB 3.8Å; C47-L95 HydrophobicContact CB-CD1 4.42Å
48F98.5Very high97Very high8 Ų840.9 Ų40.94%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-108.4143175.6-60-77.6000110.8A10 V46 L57 M60 S110 L118 F122A10-F48 HydrophobicContact CB-CD1 3.83Å; A10-F48 HydrophobicContact CB-CE1 4.21Å; V46-F48 HydrophobicContact CG1-CE2 4.16Å; V46-F48 HydrophobicContact CG2-CD2 4.42Å; V46-F48 HydrophobicContact CG2-CE1 4.1Å; V46-F48 HydrophobicContact CG2-CE2 3.77Å; V46-F48 HydrophobicContact CG2-CZ 3.59Å; F48-L57 HydrophobicContact CE1-CD2 3.58Å; F48-L57 HydrophobicContact CZ-CD2 3.99Å; F48-M60 HydrophobicContact CD1-SD 4.45Å; F48-M60 HydrophobicContact CE1-CE 3.79Å; F48-M60 HydrophobicContact CE1-SD 3.71Å; F48-M60 HydrophobicContact CZ-CE 4.29Å; F48-S110 WeakPolarHBondContact O-CB 3.39Å; F48-S110 PolarHBondContact O-N 3.18Å; F48-S110 PolarHBondContact O-OG 3Å; F48-L118 HydrophobicContact CB-CD1 3.76Å; F48-L118 HydrophobicContact CD1-CB 4.07Å; F48-L118 HydrophobicContact CD1-CD1 4.09Å; F48-L118 HydrophobicContact CD2-CB 3.8Å; F48-L118 HydrophobicContact CE1-CB 4.18Å; F48-L118 HydrophobicContact CE2-CB 3.94Å; F48-L118 HydrophobicContact CG-CB 3.88Å; F48-L118 HydrophobicContact CG-CD1 3.89Å; F48-L118 HydrophobicContact CZ-CB 4.12Å; F48-F122 HydrophobicContact CZ-CB 3.99Å; F48-F122 HydrophobicContact CZ-CG 4.26Å
49F98.1Very high97Very high8 Ų845.5 Ų45.54%0.03523%0.229CC..BIsolated β-bridgetrans-102.8163.6179.2-60.9-68.5000111.8L8 Q9 R11 G51 A52 G96 S108L8-F49 HydrophobicContact CB-CD2 4.18Å; L8-F49 HydrophobicContact CB-CE2 4.38Å; L8-F49 HydrophobicContact CD1-CE2 4.38Å; L8-F49 HydrophobicContact CD2-CD2 3.8Å; L8-F49 HydrophobicContact CD2-CE1 4.4Å; L8-F49 HydrophobicContact CD2-CE2 3.17Å; L8-F49 HydrophobicContact CD2-CZ 3.52Å; L8-F49 HydrophobicContact CG-CD2 3.57Å; L8-F49 HydrophobicContact CG-CE2 3.37Å; L8-F49 HydrophobicContact CG-CZ 4.23Å; L8-F49 VanDerWaalsContact O-CB 3.26Å; L8-F49 WeakPolarHBondContact O-CB 3.31Å; L8-F49 WeakPolarHBondContact O-CD2 3.46Å; Q9-F49 PolarHBondContact O-N 2.9Å; R11-F49 HydrophobicContact CB-CE2 3.81Å; R11-F49 HydrophobicContact CB-CZ 4.02Å; F49-G51 PolarHBondContact O-N 2.86Å; F49-A52 VanDerWaalsContact O-CB 3.29Å; F49-A52 WeakPolarHBondContact O-CB 3.24Å; F49-A52 PolarHBondContact O-N 3Å; F49-G96 VanDerWaalsContact CE1-CA 3.5Å; F49-S108 CarbonylContact C-O 3.57Å; F49-S108 VanDerWaalsContact CA-O 3.23Å; F49-S108 WeakPolarHBondContact CA-O 3.45Å; F49-S108 WeakPolarHBondContact CB-O 3.35Å; F49-S108 WeakPolarHBondContact CD1-O 3.36Å
50K96.2Very high97Very high112 Ų11240 Ų4049%0.48720%0.204SC..THydrogen-bonded Turntrans-60.2133.9179.2-65.5-179.6175.8169.70111A52 H107 S108 N109K50-A52 VanDerWaalsContact C-N 3.25Å; K50-H107 WeakPolarHBondContact CE-O 3.34Å; K50-H107 PolarHBondContact NZ-O 2.93Å; K50-S108 PolarHBondContact N-O 3.16Å; K50-N109 WeakPolarHBondContact CE-O 3.23Å; K50-N109 WeakPolarHBondContact CG-O 3.36Å
51G92.5Very high97Very high56 Ų5635.2 Ų35.258%0.57719%0.186SC*.THydrogen-bonded Turntrans74.519.6179.700000112.8F49 D53 E114F49-G51 PolarHBondContact O-N 2.86Å; G51-D53 PolarHBondContact O-N 2.9Å; G51-E114 PolarHBondContact N-OE1 2.98Å
52A94.1Very high97Very high11 Ų1139.6 Ų39.69%0.09121%0.209CC..  trans-63.1126.7165.700000108.9Q9 F49 K50 L118Q9-A52 HydrophobicContact CB-CB 4.16Å; Q9-A52 WeakPolarHBondContact O-CB 3.45Å; F49-A52 VanDerWaalsContact O-CB 3.29Å; F49-A52 WeakPolarHBondContact O-CB 3.24Å; F49-A52 PolarHBondContact O-N 3Å; K50-A52 VanDerWaalsContact C-N 3.25Å; A52-L118 HydrophobicContact CB-CD1 3.89Å
53D90.6Very high97Very high79 Ų7941.7 Ų41.742%0.42222%0.222SC..  trans-81.8140.9175.2-162.7-36.8000109Q9 G51 E55 I56Q9-D53 VanDerWaalsContact NE2-N 3.11Å; G51-D53 PolarHBondContact O-N 2.9Å; D53-E55 HydrophobicContact CB-CB 4.44Å; D53-E55 PolarHBondContact O-N 3.01Å; D53-E55 VanDerWaalsContact O-N 3.14Å; D53-E55 WeakPolarHBondContact OD1-CG 3.21Å; D53-E55 PolarHBondContact OD1-N 2.84Å; D53-I56 WeakPolarHBondContact O-CB 3.48Å; D53-I56 WeakPolarHBondContact O-CG2 3.41Å; D53-I56 PolarHBondContact O-N 3Å
54K92Very high97Very high94 Ų9441.7 Ų41.741%0.40922%0.222SC..THydrogen-bonded Turntrans-58.8-24.7173.1-65.6176.1-175.5173.80111.6I56 L57 E117 L118K54-I56 PolarHBondContact O-N 2.93Å; K54-I56 VanDerWaalsContact O-N 3.15Å; K54-L57 WeakPolarHBondContact O-CB 3.35Å; K54-L57 WeakPolarHBondContact O-CG 3.45Å; K54-L57 PolarHBondContact O-N 2.91Å; K54-L57 VanDerWaalsContact O-N 3.11Å; K54-E117 VanDerWaalsContact CE-CD 3.42Å; K54-E117 WeakPolarHBondContact CE-OE1 3.36Å; K54-E117 VanDerWaalsContact CE-OE2 3.26Å; K54-E117 WeakPolarHBondContact CE-OE2 3.28Å; K54-E117 IonicContact NZ-OE1 3.13Å; K54-E117 PolarHBondContact NZ-OE1 2.83Å; K54-E117 IonicContact NZ-OE2 2.87Å; K54-E117 PolarHBondContact NZ-OE2 2.72Å; K54-L118 HydrophobicContact CG-CD2 4.02Å
55E94.4Very high97Very high158 Ų15841.7 Ų41.774%0.73822%0.222SC*.THydrogen-bonded Turntrans-62-15.5172.8-65.3-171.4173.300113.9D53 L57 P58D53-E55 HydrophobicContact CB-CB 4.44Å; D53-E55 PolarHBondContact O-N 3.01Å; D53-E55 VanDerWaalsContact O-N 3.14Å; D53-E55 WeakPolarHBondContact OD1-CG 3.21Å; D53-E55 PolarHBondContact OD1-N 2.84Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-P58 WeakPolarHBondContact O-CD 3.33Å
56I96.4Very high97Very high4 Ų443.8 Ų43.82%0.02124%0.235CC..Hα-helixtrans-73.5-25.7174.5-158.756.9000112.6Q9 D53 K54 K59 M60 F168Q9-I56 HydrophobicContact CB-CG1 4.23Å; D53-I56 WeakPolarHBondContact O-CB 3.48Å; D53-I56 WeakPolarHBondContact O-CG2 3.41Å; D53-I56 PolarHBondContact O-N 3Å; K54-I56 PolarHBondContact O-N 2.93Å; K54-I56 VanDerWaalsContact O-N 3.15Å; I56-K59 HydrophobicContact CD1-CB 4.42Å; I56-K59 HydrophobicContact CD1-CD 3.94Å; I56-K59 WeakPolarHBondContact O-CB 3.39Å; I56-K59 PolarHBondContact O-N 3.26Å; I56-K59 VanDerWaalsContact O-N 3.15Å; I56-M60 HydrophobicContact CG1-CG 4.17Å; I56-M60 HydrophobicContact CG1-SD 4.37Å; I56-M60 HydrophobicContact CG2-SD 3.95Å; I56-M60 WeakPolarHBondContact O-CG 3.43Å; I56-M60 PolarHBondContact O-N 3Å; I56-F168 HydrophobicContact CD1-CB 4.13Å; I56-F168 HydrophobicContact CG1-CB 3.93Å
57L98.5Very high97Very high1 Ų145.7 Ų45.71%0.00525%0.247CC..Hα-helixtrans-63.5-45.3-170.2-57.1-180000113F48 K54 E55 K59 M60 V61 L118 Q121 F122 L125F48-L57 HydrophobicContact CE1-CD2 3.58Å; F48-L57 HydrophobicContact CZ-CD2 3.99Å; K54-L57 WeakPolarHBondContact O-CB 3.35Å; K54-L57 WeakPolarHBondContact O-CG 3.45Å; K54-L57 PolarHBondContact O-N 2.91Å; K54-L57 VanDerWaalsContact O-N 3.11Å; E55-L57 VanDerWaalsContact C-N 3.32Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 2.89Å; L57-M60 HydrophobicContact CD2-SD 4.18Å; L57-M60 WeakPolarHBondContact O-CB 3.01Å; L57-M60 PolarHBondContact O-N 2.89Å; L57-M60 VanDerWaalsContact O-N 3.14Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.89Å; L57-L118 HydrophobicContact CD1-CD2 4.22Å; L57-L118 HydrophobicContact CD2-CD2 4.29Å; L57-L118 HydrophobicContact CG-CD2 4.41Å; L57-Q121 HydrophobicContact CD1-CB 3.49Å; L57-Q121 VanDerWaalsContact CD1-CB 3.49Å; L57-F122 HydrophobicContact CD2-CB 4.18Å; L57-F122 HydrophobicContact CD2-CD2 4.49Å; L57-L125 HydrophobicContact CB-CD1 3.63Å; L57-L125 HydrophobicContact CD1-CD1 4.45Å
58P98.4Very high97Very high76 Ų7652.2 Ų52.249%0.49428%0.275SS..Hα-helixtrans-58.7-39174.7-25.135.6000112.8E55 V61 N62E55-P58 WeakPolarHBondContact O-CD 3.33Å; P58-V61 PolarHBondContact O-N 3.35Å; P58-N62 WeakPolarHBondContact O-CB 3.46Å; P58-N62 PolarHBondContact O-N 3.43Å
59K98.2Very high97Very high97 Ų9752.6 Ų52.642%0.42228%0.277SS..Hα-helixtrans-65.4-42.2176.1-177.6-174.9173-164.70111.3I56 L57 T63I56-K59 HydrophobicContact CD1-CB 4.42Å; I56-K59 HydrophobicContact CD1-CD 3.94Å; I56-K59 WeakPolarHBondContact O-CB 3.39Å; I56-K59 PolarHBondContact O-N 3.26Å; I56-K59 VanDerWaalsContact O-N 3.15Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 2.89Å; K59-T63 VanDerWaalsContact O-CB 3.23Å; K59-T63 WeakPolarHBondContact O-CB 3.41Å; K59-T63 PolarHBondContact O-N 3.43Å; K59-T63 PolarHBondContact O-OG1 3Å
60M98.7Very high97Very high0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-59.7-53.3175.5-70.5178.967.600110.9A10 V46 F48 I56 L57 N62 T63 L64 F122 F168A10-M60 HydrophobicContact CB-CE 3.58Å; A10-M60 HydrophobicContact CB-SD 3.53Å; A10-M60 VanDerWaalsContact CB-SD 3.53Å; V46-M60 HydrophobicContact CG2-CE 3.72Å; F48-M60 HydrophobicContact CD1-SD 4.45Å; F48-M60 HydrophobicContact CE1-CE 3.79Å; F48-M60 HydrophobicContact CE1-SD 3.71Å; F48-M60 HydrophobicContact CZ-CE 4.29Å; I56-M60 HydrophobicContact CG1-CG 4.17Å; I56-M60 HydrophobicContact CG1-SD 4.37Å; I56-M60 HydrophobicContact CG2-SD 3.95Å; I56-M60 WeakPolarHBondContact O-CG 3.43Å; I56-M60 PolarHBondContact O-N 3Å; L57-M60 HydrophobicContact CD2-SD 4.18Å; L57-M60 WeakPolarHBondContact O-CB 3.01Å; L57-M60 PolarHBondContact O-N 2.89Å; L57-M60 VanDerWaalsContact O-N 3.14Å; M60-N62 PolarHBondContact O-N 3.43Å; M60-T63 PolarHBondContact O-N 3.36Å; M60-L64 WeakPolarHBondContact O-CB 3.28Å; M60-L64 WeakPolarHBondContact O-CG 3.45Å; M60-L64 PolarHBondContact O-N 3.44Å; M60-F122 HydrophobicContact CB-CD2 4.3Å; M60-F122 HydrophobicContact CB-CE2 3.91Å; M60-F122 HydrophobicContact CE-CD2 4.43Å; M60-F122 HydrophobicContact CE-CE2 4.26Å; M60-F168 HydrophobicContact CB-CD1 4.46Å; M60-F168 HydrophobicContact CB-CE1 4.16Å; M60-F168 HydrophobicContact CB-CE2 4.45Å; M60-F168 HydrophobicContact CB-CZ 4.14Å; M60-F168 HydrophobicContact CE-CD2 4.12Å; M60-F168 HydrophobicContact CE-CE2 4.22Å; M60-F168 HydrophobicContact CG-CB 4.31Å; M60-F168 HydrophobicContact CG-CD1 3.58Å; M60-F168 HydrophobicContact CG-CD2 3.77Å; M60-F168 HydrophobicContact CG-CE1 3.75Å; M60-F168 HydrophobicContact CG-CE2 3.91Å; M60-F168 HydrophobicContact CG-CG 3.6Å; M60-F168 HydrophobicContact CG-CZ 3.89Å; M60-F168 HydrophobicContact SD-CD2 4.32Å; M60-F168 HydrophobicContact SD-CG 4.39Å
61V98.8Very high97.1Very high4 Ų451.3 Ų51.32%0.02427%0.273CS..Hα-helixtrans-57.4-51.4-179173.80000110.7L57 P58 T63 L64 L65 F122 L125 E129L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.89Å; P58-V61 PolarHBondContact O-N 3.35Å; V61-T63 VanDerWaalsContact C-N 3.32Å; V61-T63 PolarHBondContact O-N 3.5Å; V61-L64 PolarHBondContact O-N 3.29Å; V61-L65 HydrophobicContact CG1-CD1 3.8Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CB 3.44Å; V61-L65 WeakPolarHBondContact O-CG 3.41Å; V61-L65 PolarHBondContact O-N 2.82Å; V61-F122 HydrophobicContact CG2-CD2 3.84Å; V61-F122 HydrophobicContact CG2-CE2 3.76Å; V61-L125 HydrophobicContact CG2-CB 3.7Å; V61-E129 HydrophobicContact CG1-CB 3.88Å; V61-E129 HydrophobicContact CG1-CG 4.1Å
62N98.8Very high97.3Very high92 Ų9250.5 Ų50.549%0.49226%0.257SS..Hα-helixtrans-57.6-45.5178.1178.550.8000111.8P58 M60 N66P58-N62 WeakPolarHBondContact O-CB 3.46Å; P58-N62 PolarHBondContact O-N 3.43Å; M60-N62 PolarHBondContact O-N 3.43Å; N62-N66 WeakPolarHBondContact O-CB 3.35Å; N62-N66 PolarHBondContact O-N 2.95Å; N62-N66 VanDerWaalsContact O-N 3.14Å; N62-N66 PolarHBondContact O-ND2 2.81Å; N62-N66 PolarHBondContact OD1-ND2 3.36Å
63T98.8Very high97.3Very high46 Ų4659.5 Ų59.528%0.28230%0.297SS..Hα-helixtrans-66.5-49.9-178-59.70000111.7K59 M60 V61 V67 I166 F168K59-T63 VanDerWaalsContact O-CB 3.23Å; K59-T63 WeakPolarHBondContact O-CB 3.41Å; K59-T63 PolarHBondContact O-N 3.43Å; K59-T63 PolarHBondContact O-OG1 3Å; M60-T63 PolarHBondContact O-N 3.36Å; V61-T63 VanDerWaalsContact C-N 3.32Å; V61-T63 PolarHBondContact O-N 3.5Å; T63-V67 WeakPolarHBondContact O-CB 3.29Å; T63-V67 PolarHBondContact O-N 2.89Å; T63-I166 HydrophobicContact CG2-CG2 4.26Å; T63-F168 HydrophobicContact CG2-CE1 4.02Å; T63-F168 HydrophobicContact CG2-CZ 4Å
64L98.9Very high97.5Very high1 Ų163.1 Ų63.11%0.00532%0.316CS..Hα-helixtrans-73.3-31.2-172.6-62.2-175.5000112.6A12 L14 I44 M60 V61 F122 I166 F168A12-L64 HydrophobicContact CB-CD1 3.66Å; A12-L64 HydrophobicContact CB-CD2 3.99Å; A12-L64 HydrophobicContact CB-CG 4.47Å; L14-L64 HydrophobicContact CD1-CD2 3.68Å; L14-L64 HydrophobicContact CD2-CD2 4.12Å; I44-L64 HydrophobicContact CD1-CB 4.41Å; I44-L64 HydrophobicContact CG2-CD1 3.9Å; M60-L64 WeakPolarHBondContact O-CB 3.28Å; M60-L64 WeakPolarHBondContact O-CG 3.45Å; M60-L64 PolarHBondContact O-N 3.44Å; V61-L64 PolarHBondContact O-N 3.29Å; L64-F122 HydrophobicContact CD1-CE2 4.22Å; L64-F122 HydrophobicContact CD1-CZ 3.86Å; L64-I166 HydrophobicContact CD2-CB 4.14Å; L64-I166 HydrophobicContact CD2-CD1 3.69Å; L64-I166 HydrophobicContact CD2-CG1 4.43Å; L64-I166 HydrophobicContact CD2-CG2 4.29Å; L64-F168 HydrophobicContact CD1-CE2 4.34Å; L64-F168 HydrophobicContact CD1-CZ 4.4Å; L64-F168 HydrophobicContact CD2-CE2 3.98Å; L64-F168 HydrophobicContact CD2-CZ 3.73Å; L64-F168 HydrophobicContact CG-CE2 4.26Å; L64-F168 HydrophobicContact CG-CZ 3.9Å
65L98.8Very high97.7Very high0 Ų060.2 Ų60.20%031%0.313CS..Hα-helixtrans-86.4-23.5178.5-58.2-171.6000113.1I44 V61 S79 I80 L81 I87 C126 E129 V130I44-L65 HydrophobicContact CD1-CD2 4.1Å; V61-L65 HydrophobicContact CG1-CD1 3.8Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CB 3.44Å; V61-L65 WeakPolarHBondContact O-CG 3.41Å; V61-L65 PolarHBondContact O-N 2.82Å; L65-S79 WeakPolarHBondContact O-CB 3.24Å; L65-I80 HydrophobicContact CB-CG2 4.29Å; L65-I80 HydrophobicContact CD2-CG2 3.94Å; L65-I80 WeakPolarHBondContact O-CG2 3.32Å; L65-L81 HydrophobicContact CB-CD1 3.96Å; L65-L81 HydrophobicContact CB-CD2 4.38Å; L65-L81 HydrophobicContact CB-CG 4.05Å; L65-L81 HydrophobicContact CD1-CD2 4.47Å; L65-I87 HydrophobicContact CD2-CD1 3.6Å; L65-I87 HydrophobicContact CD2-CG1 4.4Å; L65-C126 HydrophobicContact CD1-CB 4.5Å; L65-E129 HydrophobicContact CD1-CB 3.93Å; L65-E129 HydrophobicContact CD1-CG 3.88Å; L65-V130 HydrophobicContact CD1-CG2 4.29Å
66N98.8Very high97.8Very high66 Ų6659.7 Ų59.735%0.35331%0.308SS..Hα-helixtrans-99.8-10.4179.1-69.4-74.6000115N62 K68 S79N62-N66 WeakPolarHBondContact O-CB 3.35Å; N62-N66 PolarHBondContact O-N 2.95Å; N62-N66 VanDerWaalsContact O-N 3.14Å; N62-N66 PolarHBondContact O-ND2 2.81Å; N62-N66 PolarHBondContact OD1-ND2 3.36Å; N66-K68 PolarHBondContact O-N 3.21Å; N66-S79 WeakPolarHBondContact O-CB 3.31Å
67V98.8Very high97.9Very high44 Ų4462.9 Ų62.927%0.26732%0.323SS..SBendtrans-62.5134175.567.90000110.6L14 T63 L69 S79 I166L14-V67 HydrophobicContact CD2-CG1 3.88Å; T63-V67 WeakPolarHBondContact O-CB 3.29Å; T63-V67 PolarHBondContact O-N 2.89Å; V67-L69 HydrophobicContact CB-CG 4.45Å; V67-L69 HydrophobicContact CG1-CD1 3.72Å; V67-L69 HydrophobicContact CG1-CG 3.89Å; V67-L69 HydrophobicContact CG2-CD1 4.23Å; V67-L69 HydrophobicContact CG2-CD2 4.27Å; V67-L69 HydrophobicContact CG2-CG 3.9Å; V67-L69 PolarHBondContact O-N 3.29Å; V67-S79 WeakPolarHBondContact O-CA 3.48Å; V67-I166 HydrophobicContact CG1-CD1 4.37Å
68K98.6Very high97.9Very high140 Ų14063.7 Ų63.761%0.60933%0.328SS*.SBendtrans-8676.4-172.9-62.5179.4-177.6174.50111.5N66 H77 V78N66-K68 PolarHBondContact O-N 3.21Å; K68-H77 WeakPolarHBondContact O-CB 3.44Å; K68-V78 CarbonylContact C-O 3.42Å; K68-V78 VanDerWaalsContact CA-O 3.28Å; K68-V78 WeakPolarHBondContact CA-O 3.42Å
69L98.6Very high97.9Very high15 Ų1560.1 Ų60.18%0.07931%0.305CS..  trans-112.5-10.9-178.8-61.5179.4000113.6L14 Q16 V67 V78 F162 H164L14-L69 HydrophobicContact CB-CD1 4.22Å; L14-L69 HydrophobicContact CD2-CD1 3.82Å; Q16-L69 PolarHBondContact NE2-O 2.96Å; V67-L69 HydrophobicContact CB-CG 4.45Å; V67-L69 HydrophobicContact CG1-CD1 3.72Å; V67-L69 HydrophobicContact CG1-CG 3.89Å; V67-L69 HydrophobicContact CG2-CD1 4.23Å; V67-L69 HydrophobicContact CG2-CD2 4.27Å; V67-L69 HydrophobicContact CG2-CG 3.9Å; V67-L69 PolarHBondContact O-N 3.29Å; L69-V78 PolarHBondContact N-O 3.1Å; L69-F162 HydrophobicContact CB-CD1 4.44Å; L69-F162 HydrophobicContact CD2-CD1 4.37Å; L69-F162 HydrophobicContact CD2-CE1 3.98Å; L69-H164 HydrophobicContact CD1-CB 3.98Å
70S98.6Very high98Very high1 Ų155.6 Ų55.61%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-97121.5-172.9-35.70000109.5Q16 H77 V78Q16-S70 PolarHBondContact NE2-OG 3.03Å; Q16-S70 PolarHBondContact OE1-OG 3.36Å; S70-H77 WeakPolarHBondContact O-CA 3.34Å; S70-V78 PolarHBondContact N-O 3.26Å; S70-V78 WeakPolarHBondContact O-CG2 3.41Å; S70-V78 PolarHBondContact O-N 3.15Å
71E98.1Very high98Very high93 Ų9355.7 Ų55.744%0.43529%0.286SS..EExtended strand (participates in β ladder)trans-77.9145-175.4-163.1175.9-168.500111R40 G75 K76R40-E71 PolarHBondContact NH2-O 2.81Å; E71-G75 WeakPolarHBondContact OE1-CA 3.32Å; E71-K76 CarbonylContact C-O 3.56Å
72T97Very high97.9Very high39 Ų3959 Ų5924%0.23930%0.304CS..PPolyproline II helixtrans-94.7171.2171.155.30000110.2N74 G75 K76 V78 L83T72-N74 PolarHBondContact O-N 3.07Å; T72-G75 PolarHBondContact O-N 3.5Å; T72-K76 WeakPolarHBondContact CG2-O 3.41Å; T72-K76 PolarHBondContact N-O 3.05Å; T72-K76 WeakPolarHBondContact OG1-CB 3.31Å; T72-K76 PolarHBondContact OG1-N 2.89Å; T72-K76 PolarHBondContact OG1-O 2.95Å; T72-V78 HydrophobicContact CG2-CB 4.46Å; T72-V78 HydrophobicContact CG2-CG1 3.9Å; T72-V78 HydrophobicContact CG2-CG2 3.69Å; T72-L83 HydrophobicContact CG2-CD1 4.28Å
73E94.2Very high97.9Very high199 Ų19955.9 Ų55.993%0.9329%0.286SS*.THydrogen-bonded Turntrans-56.9-25.6176.9-62.3-178.7166.700113.4
74N94.9Very high97.9Very high156 Ų15655.5 Ų55.583%0.83429%0.285SS*.THydrogen-bonded Turntrans-92.910.1178.7-61-23000113.6T72 K76T72-N74 PolarHBondContact O-N 3.07Å; N74-K76 VanDerWaalsContact C-N 3.3Å; N74-K76 PolarHBondContact O-N 3.35Å
75G94.6Very high97.9Very high33 Ų3355.7 Ų55.734%0.3429%0.287SS..SBendtrans79.51.817900000115.8E71 T72E71-G75 WeakPolarHBondContact OE1-CA 3.32Å; T72-G75 PolarHBondContact O-N 3.5Å
76K97.9Very high97.9Very high147 Ų14756.8 Ų56.864%0.63929%0.293SS*.  trans-78.7134.5176179.2-177.8176.3-175.80110.3E71 T72 N74 V78E71-K76 CarbonylContact C-O 3.56Å; T72-K76 WeakPolarHBondContact CG2-O 3.41Å; T72-K76 PolarHBondContact N-O 3.05Å; T72-K76 WeakPolarHBondContact OG1-CB 3.31Å; T72-K76 PolarHBondContact OG1-N 2.89Å; T72-K76 PolarHBondContact OG1-O 2.95Å; N74-K76 VanDerWaalsContact C-N 3.3Å; N74-K76 PolarHBondContact O-N 3.35Å; K76-V78 HydrophobicContact CG-CG1 4.44Å
77H98.5Very high97.9Very high70 Ų7053.7 Ų53.732%0.32428%0.276SS..EExtended strand (participates in β ladder)trans-83.4131.1173.7-66.375.9000111.9K68 S70 F162K68-H77 WeakPolarHBondContact O-CB 3.44Å; S70-H77 WeakPolarHBondContact O-CA 3.34Å; H77-F162 AromaticContact CD2-CE1 3.78Å; H77-F162 AromaticContact NE2-CE1 3.62Å; H77-F162 AromaticContact NE2-CZ 3.75Å
78V98.7Very high97.9Very high18 Ų1851.7 Ų51.711%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-134.4171.5178.3-61.10000110.2K68 L69 S70 T72 K76 D82 L83K68-V78 CarbonylContact C-O 3.42Å; K68-V78 VanDerWaalsContact CA-O 3.28Å; K68-V78 WeakPolarHBondContact CA-O 3.42Å; L69-V78 PolarHBondContact N-O 3.1Å; S70-V78 PolarHBondContact N-O 3.26Å; S70-V78 WeakPolarHBondContact O-CG2 3.41Å; S70-V78 PolarHBondContact O-N 3.15Å; T72-V78 HydrophobicContact CG2-CB 4.46Å; T72-V78 HydrophobicContact CG2-CG1 3.9Å; T72-V78 HydrophobicContact CG2-CG2 3.69Å; K76-V78 HydrophobicContact CG-CG1 4.44Å; V78-D82 HydrophobicContact CB-CB 3.92Å; V78-D82 HydrophobicContact CG2-CB 4.21Å; V78-L83 HydrophobicContact CG2-CB 3.96Å; V78-L83 HydrophobicContact CG2-CD1 4.3Å
79S98.8Very high97.9Very high2 Ų245 Ų451%0.01424%0.235CC..  trans-70.9164.1175.273.90000111.5L65 N66 V67 L81 D82 L83L65-S79 WeakPolarHBondContact O-CB 3.24Å; N66-S79 WeakPolarHBondContact O-CB 3.31Å; V67-S79 WeakPolarHBondContact O-CA 3.48Å; S79-L81 PolarHBondContact O-N 3.28Å; S79-L81 PolarHBondContact OG-N 2.95Å; S79-D82 PolarHBondContact O-N 2.95Å; S79-D82 WeakPolarHBondContact OG-CB 3.45Å; S79-D82 PolarHBondContact OG-N 2.88Å; S79-D82 PolarHBondContact OG-OD2 3.24Å; S79-L83 WeakPolarHBondContact O-CB 3.35Å; S79-L83 PolarHBondContact O-N 2.85Å
80I98.8Very high97.9Very high2 Ų244.3 Ų44.31%0.0123%0.232CC..THydrogen-bonded Turntrans-64.3-30.9175.3-168.361000111.8L42 L65 L83 P84 G85 I87L42-I80 HydrophobicContact CB-CB 4.25Å; L42-I80 HydrophobicContact CB-CD1 3.82Å; L42-I80 HydrophobicContact CB-CG1 3.8Å; L42-I80 HydrophobicContact CD2-CB 4.27Å; L42-I80 HydrophobicContact CD2-CG2 4.17Å; L65-I80 HydrophobicContact CB-CG2 4.29Å; L65-I80 HydrophobicContact CD2-CG2 3.94Å; L65-I80 WeakPolarHBondContact O-CG2 3.32Å; I80-L83 PolarHBondContact O-N 2.87Å; I80-P84 WeakPolarHBondContact O-CA 3.33Å; I80-G85 WeakPolarHBondContact CG1-O 3.21Å; I80-G85 PolarHBondContact O-N 2.99Å; I80-I87 HydrophobicContact CG1-CD1 4.48Å; I80-I87 HydrophobicContact CG1-CG1 4Å; I80-I87 HydrophobicContact CG2-CD1 4.16Å; I80-I87 HydrophobicContact CG2-CG1 4.37Å
81L98.6Very high97.9Very high2 Ų244.9 Ų44.91%0.0124%0.235CC..THydrogen-bonded Turntrans-70.7-38.2176.1-58.8179.2000112.5L65 S79 L83 P84 E129 V130L65-L81 HydrophobicContact CB-CD1 3.96Å; L65-L81 HydrophobicContact CB-CD2 4.38Å; L65-L81 HydrophobicContact CB-CG 4.05Å; L65-L81 HydrophobicContact CD1-CD2 4.47Å; S79-L81 PolarHBondContact O-N 3.28Å; S79-L81 PolarHBondContact OG-N 2.95Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-P84 WeakPolarHBondContact O-CD 3.46Å; L81-E129 HydrophobicContact CD1-CG 4.42Å; L81-V130 HydrophobicContact CD2-CG2 4.03Å
82D98.3Very high97.9Very high74 Ų7443.4 Ų43.440%0.39623%0.228SC..THydrogen-bonded Turntrans-75.6-24.3176.1-82.6-36.3000113V78 S79 P84 K135V78-D82 HydrophobicContact CB-CB 3.92Å; V78-D82 HydrophobicContact CG2-CB 4.21Å; S79-D82 PolarHBondContact O-N 2.95Å; S79-D82 WeakPolarHBondContact OG-CB 3.45Å; S79-D82 PolarHBondContact OG-N 2.88Å; S79-D82 PolarHBondContact OG-OD2 3.24Å; D82-P84 WeakPolarHBondContact O-CD 3.35Å; D82-K135 IonicContact OD1-NZ 3.39Å; D82-K135 PolarHBondContact OD1-NZ 2.87Å
83L98.4Very high98Very high25 Ų2543.9 Ų43.913%0.13124%0.236CC..THydrogen-bonded Turntrans-79.1-3.2172.5-168.560.1000113.9R40 T72 V78 S79 I80 L81 G85R40-L83 VanDerWaalsContact NH1-CD1 3.26Å; T72-L83 HydrophobicContact CG2-CD1 4.28Å; V78-L83 HydrophobicContact CG2-CB 3.96Å; V78-L83 HydrophobicContact CG2-CD1 4.3Å; S79-L83 WeakPolarHBondContact O-CB 3.35Å; S79-L83 PolarHBondContact O-N 2.85Å; I80-L83 PolarHBondContact O-N 2.87Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L83-G85 VanDerWaalsContact C-N 3.34Å
84P97.9Very high98.1Very high39 Ų3937.8 Ų37.825%0.25321%0.213SC..THydrogen-bonded Turntrans5.376.1-136.620.7-38.7000115.9I80 L81 D82 K135 A139 V141I80-P84 WeakPolarHBondContact O-CA 3.33Å; L81-P84 WeakPolarHBondContact O-CD 3.46Å; D82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-K135 HydrophobicContact CB-CB 4.48Å; P84-K135 HydrophobicContact CG-CB 4.28Å; P84-A139 HydrophobicContact CB-CB 3.71Å; P84-A139 HydrophobicContact CG-CB 3.92Å; P84-V141 HydrophobicContact CB-CG2 3.58Å; P84-V141 WeakPolarHBondContact O-CG2 3.47Å
85G98.4Very high98.3Very high5 Ų532 Ų325%0.05218%0.181CC..  trans-98.3156.117400000113.2R40 I80 L83 V141R40-G85 WeakPolarHBondContact O-CA 3.34Å; I80-G85 WeakPolarHBondContact CG1-O 3.21Å; I80-G85 PolarHBondContact O-N 2.99Å; L83-G85 VanDerWaalsContact C-N 3.34Å; G85-V141 WeakPolarHBondContact O-CG1 3.4Å
86N98.8Very high98.4Very high23 Ų2330.5 Ų30.512%0.12317%0.166CC..EExtended strand (participates in β ladder)trans-66.6159.4177.3-64.8-40.4000112.2V38 Q39 R40 G41 L42 V142V38-N86 HydrophobicContact CB-CB 3.72Å; V38-N86 HydrophobicContact CG1-CB 4.06Å; Q39-N86 WeakPolarHBondContact CB-ND2 3.28Å; Q39-N86 PolarHBondContact N-ND2 2.83Å; Q39-N86 VanDerWaalsContact N-ND2 3.17Å; R40-N86 PolarHBondContact O-N 3Å; G41-N86 CarbonylContact C-O 3.33Å; G41-N86 WeakPolarHBondContact CA-O 3.38Å; L42-N86 PolarHBondContact N-O 2.9Å; N86-V142 HydrophobicContact CB-CG2 4.19Å; N86-V142 WeakPolarHBondContact OD1-CG2 3.47Å; N86-V142 PolarHBondContact OD1-N 2.84Å
87I98.9Very high98.4Very high1 Ų124.1 Ų24.11%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-125.7131.5179.7-64.6155.3000109.6L42 I44 L65 I80 I89 V130 V142 V143 E144L42-I87 WeakPolarHBondContact O-CA 3.49Å; I44-I87 HydrophobicContact CD1-CG2 3.95Å; I44-I87 HydrophobicContact CG1-CG2 4.43Å; L65-I87 HydrophobicContact CD2-CD1 3.6Å; L65-I87 HydrophobicContact CD2-CG1 4.4Å; I80-I87 HydrophobicContact CG1-CD1 4.48Å; I80-I87 HydrophobicContact CG1-CG1 4Å; I80-I87 HydrophobicContact CG2-CD1 4.16Å; I80-I87 HydrophobicContact CG2-CG1 4.37Å; I87-I89 HydrophobicContact CG2-CD1 4.34Å; I87-I89 HydrophobicContact CG2-CG1 3.8Å; I87-V130 HydrophobicContact CD1-CG2 3.48Å; I87-V130 VanDerWaalsContact CD1-CG2 3.48Å; I87-V142 PolarHBondContact N-O 2.69Å; I87-V143 HydrophobicContact CB-CG1 4.43Å; I87-V143 HydrophobicContact CB-CG2 4.37Å; I87-V143 HydrophobicContact CD1-CG2 4.35Å; I87-V143 HydrophobicContact CG2-CG1 4.38Å; I87-V143 WeakPolarHBondContact O-CA 3.46Å; I87-E144 PolarHBondContact O-N 2.97Å
88L98.9Very high98.4Very high1 Ų128.5 Ų28.51%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-117.9116.6171.4179.764.1000110.1A20 L22 V36 V38 L42 V43 I44 I90 E144 L154A20-L88 HydrophobicContact CB-CD2 3.68Å; L22-L88 HydrophobicContact CB-CD1 4.18Å; L22-L88 HydrophobicContact CB-CD2 4.17Å; L22-L88 HydrophobicContact CD2-CD1 3.78Å; L22-L88 HydrophobicContact CD2-CD2 4.48Å; L22-L88 HydrophobicContact CD2-CG 4.37Å; V36-L88 HydrophobicContact CG2-CD1 4.39Å; V38-L88 HydrophobicContact CG1-CB 4.34Å; V38-L88 HydrophobicContact CG2-CB 3.84Å; V38-L88 HydrophobicContact CG2-CD2 4.44Å; L42-L88 PolarHBondContact O-N 2.96Å; V43-L88 CarbonylContact C-O 3.59Å; V43-L88 WeakPolarHBondContact CA-O 3.32Å; V43-L88 HydrophobicContact CG1-CB 4.42Å; V43-L88 HydrophobicContact CG1-CD2 4.36Å; V43-L88 HydrophobicContact CG1-CG 4.47Å; V43-L88 HydrophobicContact CG2-CB 4.29Å; V43-L88 HydrophobicContact CG2-CD2 4.42Å; I44-L88 PolarHBondContact N-O 2.99Å; L88-I90 HydrophobicContact CD2-CD1 4.06Å; L88-I90 HydrophobicContact CD2-CG1 4.4Å; L88-I90 HydrophobicContact CG-CD1 4.3Å; L88-I90 HydrophobicContact CG-CG1 4.1Å; L88-E144 CarbonylContact C-O 3.59Å; L88-E144 VanDerWaalsContact CA-O 3.32Å; L88-E144 WeakPolarHBondContact CA-O 3.48Å; L88-E144 HydrophobicContact CD1-CB 3.91Å; L88-L154 HydrophobicContact CD2-CD1 3.93Å
89I98.9Very high98.3Very high0 Ų033.7 Ų33.70%018%0.182CC..EExtended strand (participates in β ladder)trans-103.1119.1-177.2-52.2176.1000110.7I44 V46 I87 Y119 F122 V123 C126 V143 E144 H145 G146I44-I89 CarbonylContact O-C 3.55Å; I44-I89 WeakPolarHBondContact O-CA 3.46Å; V46-I89 HydrophobicContact CG1-CG2 4.4Å; I87-I89 HydrophobicContact CG2-CD1 4.34Å; I87-I89 HydrophobicContact CG2-CG1 3.8Å; I89-Y119 HydrophobicContact CG2-CE2 3.85Å; I89-Y119 PolarHBondContact O-OH 2.96Å; I89-F122 HydrophobicContact CD1-CD1 4.42Å; I89-F122 HydrophobicContact CD1-CE1 4.1Å; I89-F122 HydrophobicContact CG2-CD1 3.96Å; I89-F122 HydrophobicContact CG2-CE1 3.73Å; I89-V123 HydrophobicContact CB-CG2 4.38Å; I89-V123 HydrophobicContact CD1-CG2 4.12Å; I89-V123 HydrophobicContact CG2-CG2 4.16Å; I89-C126 HydrophobicContact CD1-CB 3.7Å; I89-V143 HydrophobicContact CD1-CG1 3.94Å; I89-V143 HydrophobicContact CG1-CG1 4.45Å; I89-E144 PolarHBondContact N-O 3.44Å; I89-H145 HydrophobicContact CB-CB 4.18Å; I89-H145 CarbonylContact O-C 3.53Å; I89-H145 VanDerWaalsContact O-CA 3.31Å; I89-H145 WeakPolarHBondContact O-CA 3.09Å; I89-G146 PolarHBondContact O-N 2.69Å
90I98.9Very high98.2Very high1 Ų139.8 Ų39.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-114.8121.7-175.3-55.8-174.7000110.3L22 V43 I44 Y45 V46 L88 Q92 Q152 L154L22-I90 HydrophobicContact CD1-CD1 4.38Å; L22-I90 HydrophobicContact CD2-CD1 4.36Å; L22-I90 HydrophobicContact CD2-CG1 4.01Å; V43-I90 HydrophobicContact CG1-CD1 3.7Å; V43-I90 HydrophobicContact CG1-CG1 4.16Å; I44-I90 PolarHBondContact O-N 2.96Å; Y45-I90 WeakPolarHBondContact CA-O 3.38Å; Y45-I90 HydrophobicContact CD1-CB 3.86Å; Y45-I90 HydrophobicContact CD1-CD1 4.16Å; Y45-I90 HydrophobicContact CD1-CG2 3.96Å; Y45-I90 HydrophobicContact CE1-CB 4.3Å; Y45-I90 HydrophobicContact CE1-CD1 3.7Å; Y45-I90 HydrophobicContact CE1-CG2 4.31Å; Y45-I90 HydrophobicContact CG-CB 4.48Å; V46-I90 PolarHBondContact N-O 3.06Å; L88-I90 HydrophobicContact CD2-CD1 4.06Å; L88-I90 HydrophobicContact CD2-CG1 4.4Å; L88-I90 HydrophobicContact CG-CD1 4.3Å; L88-I90 HydrophobicContact CG-CG1 4.1Å; I90-Q92 PolarHBondContact O-N 3.14Å; I90-Q152 HydrophobicContact CG2-CB 3.89Å; I90-Q152 HydrophobicContact CG2-CG 3.71Å; I90-L154 HydrophobicContact CD1-CD1 3.96Å; I90-L154 HydrophobicContact CD1-CD2 3.73Å; I90-L154 HydrophobicContact CD1-CG 4.38Å
91P98.8Very high98.1Very high13 Ų1343 Ų438%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-69.6117.1171.928.3-27.5000108.8Y119 Y148P91-Y119 HydrophobicContact CB-CD2 3.88Å; P91-Y119 HydrophobicContact CB-CE2 3.69Å; P91-Y119 HydrophobicContact CB-CG 4.4Å; P91-Y119 WeakPolarHBondContact CD-OH 3.39Å; P91-Y119 HydrophobicContact CG-CE1 4.42Å; P91-Y119 HydrophobicContact CG-CE2 4.04Å; P91-Y148 HydrophobicContact CB-CD2 3.63Å; P91-Y148 HydrophobicContact CB-CE2 4.1Å; P91-Y148 HydrophobicContact CB-CG 4.49Å; P91-Y148 HydrophobicContact CG-CD2 4.32Å
92Q98.7Very high98Very high61 Ų6154.4 Ų54.429%0.28529%0.285SS..  trans-135.766.4-172.8-168.670.3-48.700111.4Y45 V46 C47 I90 T94 L95Y45-Q92 HydrophobicContact CD1-CB 4.21Å; Y45-Q92 HydrophobicContact CD1-CG 4.2Å; V46-Q92 CarbonylContact O-C 3.56Å; V46-Q92 PolarHBondContact O-N 3.34Å; C47-Q92 WeakPolarHBondContact CB-O 3.33Å; I90-Q92 PolarHBondContact O-N 3.14Å; Q92-T94 VanDerWaalsContact CD-OG1 3.3Å; Q92-T94 PolarHBondContact O-N 3.01Å; Q92-T94 PolarHBondContact OE1-OG1 3.43Å; Q92-L95 HydrophobicContact CB-CD1 4.2Å; Q92-L95 HydrophobicContact CB-CG 4.27Å; Q92-L95 HydrophobicContact CG-CD1 4.23Å; Q92-L95 HydrophobicContact CG-CG 3.83Å; Q92-L95 WeakPolarHBondContact O-CB 3.48Å; Q92-L95 WeakPolarHBondContact O-CG 3.48Å; Q92-L95 PolarHBondContact O-N 2.82Å
93A97.3Very high98Very high49 Ų4956.6 Ų56.641%0.40530%0.296SS..G310 helixtrans-55.9-22.8179.100000113.4C47 L95 G96 N109C47-A93 PolarHBondContact SG-O 2.78Å; A93-L95 PolarHBondContact O-N 3.16Å; A93-G96 PolarHBondContact O-N 3.23Å; A93-G96 VanDerWaalsContact O-N 3.09Å; A93-N109 PolarHBondContact O-ND2 3.05Å
94T98.1Very high97.9Very high72 Ų7259.6 Ų59.644%0.44231%0.311SS..G310 helixtrans-63.3-20.5178.353.20000113.5Q92 G96 G97Q92-T94 VanDerWaalsContact CD-OG1 3.3Å; Q92-T94 PolarHBondContact O-N 3.01Å; Q92-T94 PolarHBondContact OE1-OG1 3.43Å; T94-G96 PolarHBondContact O-N 2.74Å; T94-G97 PolarHBondContact O-N 3.42Å
95L98.4Very high97.9Very high34 Ų3460.7 Ų60.718%0.17831%0.313CS..G310 helixtrans-59.9-25.2173.1-68.7174.3000112.7R11 L13 C47 Q92 A93 G97R11-L95 PolarHBondContact NH1-O 3.48Å; L13-L95 HydrophobicContact CB-CD1 4.04Å; L13-L95 HydrophobicContact CB-CD2 4.13Å; L13-L95 HydrophobicContact CD1-CD2 4.21Å; C47-L95 HydrophobicContact CB-CB 3.8Å; C47-L95 HydrophobicContact CB-CD1 4.42Å; Q92-L95 HydrophobicContact CB-CD1 4.2Å; Q92-L95 HydrophobicContact CB-CG 4.27Å; Q92-L95 HydrophobicContact CG-CD1 4.23Å; Q92-L95 HydrophobicContact CG-CG 3.83Å; Q92-L95 WeakPolarHBondContact O-CB 3.48Å; Q92-L95 WeakPolarHBondContact O-CG 3.48Å; Q92-L95 PolarHBondContact O-N 2.82Å; A93-L95 PolarHBondContact O-N 3.16Å; L95-G97 PolarHBondContact O-N 3.41Å
96G97.4Very high97.9Very high1 Ų165 Ų651%0.0133%0.328CS..G310 helixtrans-80.8-0.617700000114.9F49 A93 T94 N109F49-G96 VanDerWaalsContact CE1-CA 3.5Å; A93-G96 PolarHBondContact O-N 3.23Å; A93-G96 VanDerWaalsContact O-N 3.09Å; T94-G96 PolarHBondContact O-N 2.74Å; G96-N109 WeakPolarHBondContact CA-OD1 3.18Å
97G97.6Very high97.7Very high14 Ų1470 Ų7014%0.14435%0.351CS..  trans-65.4141-177.900000113.3T94 L95 M104 Q105 Y106T94-G97 PolarHBondContact O-N 3.42Å; L95-G97 PolarHBondContact O-N 3.41Å; G97-M104 WeakPolarHBondContact O-CE 3.31Å; G97-Q105 CarbonylContact C-O 3.56Å; G97-Q105 WeakPolarHBondContact CA-O 3.44Å; G97-Y106 VanDerWaalsContact CA-CD1 3.42Å
98R97Very high97.6Very high162 Ų16271.6 Ų71.661%0.61136%0.361SS*.EExtended strand (participates in β ladder)trans-119.7134170.2-62.6-174.5-177.7-168-1.5110.1K100 Q105R98-K100 PolarHBondContact O-N 3.48Å; R98-Q105 PolarHBondContact N-O 3.02Å; R98-Q105 PolarHBondContact O-N 3.44Å
99L97.1Very high97.5Very high126 Ų12672.4 Ų72.466%0.6637%0.366SS*.EExtended strand (participates in β ladder)trans-70.7127.8178.1-175.965.9000110.4G101 M104L99-G101 WeakPolarHBondContact CD1-O 3.4Å; L99-M104 HydrophobicContact CB-SD 4.09Å; L99-M104 HydrophobicContact CD1-SD 4.05Å
100K97Very high97.4Very high131 Ų13173.3 Ų73.357%0.5737%0.372SS*.EExtended strand (participates in β ladder)trans-130.3106.2169.9-172.6177.5-179.3175.30109.4R98 R102 N103 Q105R98-K100 PolarHBondContact O-N 3.48Å; K100-R102 PolarHBondContact O-N 2.97Å; K100-R102 VanDerWaalsContact O-N 3.16Å; K100-N103 PolarHBondContact N-O 2.9Å; K100-N103 PolarHBondContact O-N 3.24Å; K100-N103 VanDerWaalsContact O-N 3.13Å; K100-Q105 HydrophobicContact CB-CG 3.94Å; K100-Q105 HydrophobicContact CD-CG 4.23Å; K100-Q105 VanDerWaalsContact CD-NE2 3.3Å; K100-Q105 VanDerWaalsContact CD-OE1 3.23Å
101G96.4Very high97.3Very high69 Ų6975 Ų7571%0.71139%0.389SS*.THydrogen-bonded Turntrans63.1-113.2-169.300000110L99L99-G101 WeakPolarHBondContact CD1-O 3.4Å
102R96.8Very high97.2Very high242 Ų24282.3 Ų82.391%0.91342%0.42SS*.THydrogen-bonded Turntrans-108.65.3177.4-60.6-177.8-177.5171.91.1113.7K100K100-R102 PolarHBondContact O-N 2.97Å; K100-R102 VanDerWaalsContact O-N 3.16Å
103N97.7Very high97.1Very high119 Ų11987.6 Ų87.664%0.63645%0.445SS*.EExtended strand (participates in β ladder)trans-116.9149.8-175.9-64.8-50.2000111.1K100K100-N103 PolarHBondContact N-O 2.9Å; K100-N103 PolarHBondContact O-N 3.24Å; K100-N103 VanDerWaalsContact O-N 3.13Å
104M97.8Very high97Very high89 Ų8988.4 Ų88.444%0.43844%0.44SS..EExtended strand (participates in β ladder)trans-89.8137.6172.4-63.7-59.7-7300110.8G97 L99 Y106G97-M104 WeakPolarHBondContact O-CE 3.31Å; L99-M104 HydrophobicContact CB-SD 4.09Å; L99-M104 HydrophobicContact CD1-SD 4.05Å; M104-Y106 HydrophobicContact CB-CE2 3.91Å; M104-Y106 WeakPolarHBondContact CB-OH 3.46Å
105Q97.7Very high97Very high61 Ų6185 Ų8529%0.28542%0.419SS..EExtended strand (participates in β ladder)trans-115.4143.5173.5-61.7-163.1-43.200111.1G97 R98 K100 H107G97-Q105 CarbonylContact C-O 3.56Å; G97-Q105 WeakPolarHBondContact CA-O 3.44Å; R98-Q105 PolarHBondContact N-O 3.02Å; R98-Q105 PolarHBondContact O-N 3.44Å; K100-Q105 HydrophobicContact CB-CG 3.94Å; K100-Q105 HydrophobicContact CD-CG 4.23Å; K100-Q105 VanDerWaalsContact CD-NE2 3.3Å; K100-Q105 VanDerWaalsContact CD-OE1 3.23Å; Q105-H107 PolarHBondContact NE2-NE2 2.96Å; Q105-H107 PolarHBondContact OE1-CD2 2.99Å; Q105-H107 PolarHBondContact OE1-NE2 2.8Å
106Y97.4Very high97Very high95 Ų9587.1 Ų87.137%0.37343%0.431SS..  trans-123.629.2-173.7-57.5-78.5000112.5G97 M104 S108 N109G97-Y106 VanDerWaalsContact CA-CD1 3.42Å; M104-Y106 HydrophobicContact CB-CE2 3.91Å; M104-Y106 WeakPolarHBondContact CB-OH 3.46Å; Y106-S108 PolarHBondContact O-N 3.31Å; Y106-S108 VanDerWaalsContact O-N 3.1Å; Y106-N109 WeakPolarHBondContact O-CB 3.21Å; Y106-N109 PolarHBondContact O-N 2.91Å
107H95.4Very high97Very high130 Ų13091.2 Ų91.260%0.60245%0.449SS*.THydrogen-bonded Turntrans-60.6-24.6-172.7-65-56.8000114.2K50 Q105K50-H107 WeakPolarHBondContact CE-O 3.34Å; K50-H107 PolarHBondContact NZ-O 2.93Å; Q105-H107 PolarHBondContact NE2-NE2 2.96Å; Q105-H107 PolarHBondContact OE1-CD2 2.99Å; Q105-H107 PolarHBondContact OE1-NE2 2.8Å
108S96.3Very high97.1Very high33 Ų3390.7 Ų90.723%0.23144%0.443CS..THydrogen-bonded Turntrans-84.5-14.617846.80000114.1F49 K50 Y106F49-S108 CarbonylContact C-O 3.57Å; F49-S108 VanDerWaalsContact CA-O 3.23Å; F49-S108 WeakPolarHBondContact CA-O 3.45Å; F49-S108 WeakPolarHBondContact CB-O 3.35Å; F49-S108 WeakPolarHBondContact CD1-O 3.36Å; K50-S108 PolarHBondContact N-O 3.16Å; Y106-S108 PolarHBondContact O-N 3.31Å; Y106-S108 VanDerWaalsContact O-N 3.1Å
109N97.5Very high97.2Very high18 Ų1883.2 Ų83.210%0.09642%0.415CS..BIsolated β-bridgetrans-68.4143.9-176.3-70.920.5000111.5K50 A93 G96 Y106K50-N109 WeakPolarHBondContact CE-O 3.23Å; K50-N109 WeakPolarHBondContact CG-O 3.36Å; A93-N109 PolarHBondContact O-ND2 3.05Å; G96-N109 WeakPolarHBondContact CA-OD1 3.18Å; Y106-N109 WeakPolarHBondContact O-CB 3.21Å; Y106-N109 PolarHBondContact O-N 2.91Å
110S96.9Very high97.2Very high19 Ų1979.8 Ų79.813%0.13340%0.401CS..PPolyproline II helixtrans-51.6153.7169.349.90000112.1F48F48-S110 WeakPolarHBondContact O-CB 3.39Å; F48-S110 PolarHBondContact O-N 3.18Å; F48-S110 PolarHBondContact O-OG 3Å
111G96.8Very high97.3Very high36 Ų3676.4 Ų76.437%0.37139%0.388SS..PPolyproline II helixtrans-64.8162.8171.400000111.6E113 E114 G115G111-E113 VanDerWaalsContact C-N 3.34Å; G111-E113 PolarHBondContact O-N 3.49Å; G111-E114 PolarHBondContact N-OE2 2.91Å; G111-G115 PolarHBondContact O-N 3.43Å
112K95.3Very high97.4Very high168 Ų16873.1 Ų73.173%0.7335%0.354SS*.Hα-helixtrans-57.7-44.2-178.2-175.2-176.7177.3-1740112.7L116K112-L116 VanDerWaalsContact O-CB 3.32Å; K112-L116 WeakPolarHBondContact O-CB 3.4Å; K112-L116 PolarHBondContact O-N 3.16Å
113E96.6Very high97.5Very high171 Ų17161.9 Ų61.980%0.79931%0.312SS*.Hα-helixtrans-71.7-50.1-178.2-67.3173.3-171.400111.6G111 G115 L116 E117G111-E113 VanDerWaalsContact C-N 3.34Å; G111-E113 PolarHBondContact O-N 3.49Å; E113-G115 VanDerWaalsContact C-N 3.33Å; E113-G115 PolarHBondContact O-N 3.14Å; E113-L116 PolarHBondContact O-N 3.32Å; E113-E117 PolarHBondContact O-N 2.8Å
114E96.2Very high97.6Very high66 Ų6658.9 Ų58.931%0.30830%0.298SS..Hα-helixtrans-56.2-46.9174.8-179-170.8-164.600111.3G51 G111 L116 E117 L118G51-E114 PolarHBondContact N-OE1 2.98Å; G111-E114 PolarHBondContact N-OE2 2.91Å; E114-L116 PolarHBondContact O-N 3.22Å; E114-E117 PolarHBondContact O-N 2.85Å; E114-L118 HydrophobicContact CG-CD1 4.04Å; E114-L118 WeakPolarHBondContact O-CB 3.39Å; E114-L118 WeakPolarHBondContact O-CG 3.15Å; E114-L118 PolarHBondContact O-N 2.95Å
115G97.7Very high97.6Very high0 Ų057.2 Ų57.20%029%0.291CS..Hα-helixtrans-66.3-36179.500000113.2G111 E113 Y119 Y148G111-G115 PolarHBondContact O-N 3.43Å; E113-G115 VanDerWaalsContact C-N 3.33Å; E113-G115 PolarHBondContact O-N 3.14Å; G115-Y119 WeakPolarHBondContact O-CB 3.32Å; G115-Y119 PolarHBondContact O-N 3.15Å; G115-Y148 WeakPolarHBondContact O-CE2 3.35Å
116L98.3Very high97.7Very high80 Ų8054.3 Ų54.342%0.41928%0.277SS..Hα-helixtrans-65.5-43.6173.3172.862.6000111.1K112 E113 E114 Y119 S120 Y148K112-L116 VanDerWaalsContact O-CB 3.32Å; K112-L116 WeakPolarHBondContact O-CB 3.4Å; K112-L116 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3.32Å; E114-L116 PolarHBondContact O-N 3.22Å; L116-Y119 PolarHBondContact O-N 2.96Å; L116-S120 WeakPolarHBondContact O-CB 3.4Å; L116-S120 PolarHBondContact O-N 2.83Å; L116-S120 PolarHBondContact O-OG 2.98Å; L116-Y148 HydrophobicContact CB-CD1 3.92Å; L116-Y148 HydrophobicContact CB-CE1 3.95Å; L116-Y148 HydrophobicContact CB-CG 4.39Å; L116-Y148 HydrophobicContact CD1-CD1 3.83Å; L116-Y148 HydrophobicContact CD1-CG 3.75Å; L116-Y148 HydrophobicContact CG-CD1 4.43Å
117E98.1Very high97.7Very high86 Ų8653.5 Ų53.540%0.40228%0.277SS..Hα-helixtrans-62.7-50.6178.3-177.8175.2-159.300111.1K54 E113 E114 Y119 S120 Q121K54-E117 VanDerWaalsContact CE-CD 3.42Å; K54-E117 WeakPolarHBondContact CE-OE1 3.36Å; K54-E117 VanDerWaalsContact CE-OE2 3.26Å; K54-E117 WeakPolarHBondContact CE-OE2 3.28Å; K54-E117 IonicContact NZ-OE1 3.13Å; K54-E117 PolarHBondContact NZ-OE1 2.83Å; K54-E117 IonicContact NZ-OE2 2.87Å; K54-E117 PolarHBondContact NZ-OE2 2.72Å; E113-E117 PolarHBondContact O-N 2.8Å; E114-E117 PolarHBondContact O-N 2.85Å; E117-Y119 VanDerWaalsContact C-N 3.33Å; E117-Y119 PolarHBondContact O-N 3Å; E117-S120 PolarHBondContact O-N 3.05Å; E117-Q121 WeakPolarHBondContact O-CG 3.47Å; E117-Q121 PolarHBondContact O-N 3.44Å; E117-Q121 PolarHBondContact OE1-NE2 3.19Å
118L98.6Very high97.9Very high3 Ų353.9 Ų53.92%0.01628%0.277CS..Hα-helixtrans-59.9-43177.8-71.2169.3000111.8F48 A52 K54 L57 E114 F122F48-L118 HydrophobicContact CB-CD1 3.76Å; F48-L118 HydrophobicContact CD1-CB 4.07Å; F48-L118 HydrophobicContact CD1-CD1 4.09Å; F48-L118 HydrophobicContact CD2-CB 3.8Å; F48-L118 HydrophobicContact CE1-CB 4.18Å; F48-L118 HydrophobicContact CE2-CB 3.94Å; F48-L118 HydrophobicContact CG-CB 3.88Å; F48-L118 HydrophobicContact CG-CD1 3.89Å; F48-L118 HydrophobicContact CZ-CB 4.12Å; A52-L118 HydrophobicContact CB-CD1 3.89Å; K54-L118 HydrophobicContact CG-CD2 4.02Å; L57-L118 HydrophobicContact CD1-CD2 4.22Å; L57-L118 HydrophobicContact CD2-CD2 4.29Å; L57-L118 HydrophobicContact CG-CD2 4.41Å; E114-L118 HydrophobicContact CG-CD1 4.04Å; E114-L118 WeakPolarHBondContact O-CB 3.39Å; E114-L118 WeakPolarHBondContact O-CG 3.15Å; E114-L118 PolarHBondContact O-N 2.95Å; L118-F122 VanDerWaalsContact O-CB 3.25Å; L118-F122 WeakPolarHBondContact O-CB 3.47Å; L118-F122 PolarHBondContact O-N 2.97Å
119Y98.8Very high98Very high6 Ų656 Ų562%0.02428%0.283CS..Hα-helixtrans-61.9-47.8176.9177.5-102000112.3V46 I89 P91 G115 L116 E117 Q121 F122 V123 H145 G146 Y148V46-Y119 HydrophobicContact CG1-CD2 3.78Å; V46-Y119 HydrophobicContact CG1-CE2 4.04Å; I89-Y119 HydrophobicContact CG2-CE2 3.85Å; I89-Y119 PolarHBondContact O-OH 2.96Å; P91-Y119 HydrophobicContact CB-CD2 3.88Å; P91-Y119 HydrophobicContact CB-CE2 3.69Å; P91-Y119 HydrophobicContact CB-CG 4.4Å; P91-Y119 WeakPolarHBondContact CD-OH 3.39Å; P91-Y119 HydrophobicContact CG-CE1 4.42Å; P91-Y119 HydrophobicContact CG-CE2 4.04Å; G115-Y119 WeakPolarHBondContact O-CB 3.32Å; G115-Y119 PolarHBondContact O-N 3.15Å; L116-Y119 PolarHBondContact O-N 2.96Å; E117-Y119 VanDerWaalsContact C-N 3.33Å; E117-Y119 PolarHBondContact O-N 3Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 2.77Å; Y119-F122 WeakPolarHBondContact O-CB 3.25Å; Y119-F122 PolarHBondContact O-N 3.29Å; Y119-V123 HydrophobicContact CD1-CG2 4.42Å; Y119-V123 HydrophobicContact CE1-CG2 3.97Å; Y119-V123 HydrophobicContact CE2-CG2 4.07Å; Y119-V123 WeakPolarHBondContact O-CG2 3.5Å; Y119-V123 PolarHBondContact O-N 2.59Å; Y119-H145 WeakPolarHBondContact OH-CB 3.43Å; Y119-G146 PolarHBondContact OH-N 3.04Å; Y119-G146 PolarHBondContact OH-O 2.87Å; Y119-Y148 AromaticContact CD1-CD2 3.7Å; Y119-Y148 HydrophobicContact CD1-CD2 3.7Å; Y119-Y148 HydrophobicContact CD1-CG 4.26Å; Y119-Y148 HydrophobicContact CD2-CD2 4.31Å; Y119-Y148 HydrophobicContact CE1-CD2 4.44Å; Y119-Y148 AromaticContact CG-CD2 3.63Å; Y119-Y148 HydrophobicContact CG-CD2 3.63Å; Y119-Y148 HydrophobicContact CG-CE2 4.25Å
120S98.6Very high98Very high53 Ų5355.4 Ų55.437%0.37128%0.28SS..Hα-helixtrans-63.6-41.1-178.4-54.30000111.6L116 E117 T124L116-S120 WeakPolarHBondContact O-CB 3.4Å; L116-S120 PolarHBondContact O-N 2.83Å; L116-S120 PolarHBondContact O-OG 2.98Å; E117-S120 PolarHBondContact O-N 3.05Å; S120-T124 PolarHBondContact O-N 3.39Å; S120-T124 VanDerWaalsContact O-N 3.07Å; S120-T124 PolarHBondContact O-OG1 3.48Å
121Q98.7Very high98.1Very high61 Ų6158 Ų5829%0.28530%0.303SS..Hα-helixtrans-67.4-40.5175.3-69.8-176.13000112.1L57 E117 Y119 T124 L125L57-Q121 HydrophobicContact CD1-CB 3.49Å; L57-Q121 VanDerWaalsContact CD1-CB 3.49Å; E117-Q121 WeakPolarHBondContact O-CG 3.47Å; E117-Q121 PolarHBondContact O-N 3.44Å; E117-Q121 PolarHBondContact OE1-NE2 3.19Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 2.77Å; Q121-T124 PolarHBondContact O-N 3.48Å; Q121-L125 VanDerWaalsContact O-CG 3.31Å; Q121-L125 WeakPolarHBondContact O-CG 3.44Å; Q121-L125 PolarHBondContact O-N 2.96Å
122F98.9Very high98.1Very high0 Ų060.3 Ų60.30%032%0.318CS..Hα-helixtrans-59.4-47.9175.9178-105.5000111.8I44 V46 F48 L57 M60 V61 L64 I89 L118 Y119 T124 L125 C126I44-F122 HydrophobicContact CG2-CE1 4.4Å; I44-F122 HydrophobicContact CG2-CZ 4.37Å; V46-F122 HydrophobicContact CG1-CD1 4.46Å; F48-F122 HydrophobicContact CZ-CB 3.99Å; F48-F122 HydrophobicContact CZ-CG 4.26Å; L57-F122 HydrophobicContact CD2-CB 4.18Å; L57-F122 HydrophobicContact CD2-CD2 4.49Å; M60-F122 HydrophobicContact CB-CD2 4.3Å; M60-F122 HydrophobicContact CB-CE2 3.91Å; M60-F122 HydrophobicContact CE-CD2 4.43Å; M60-F122 HydrophobicContact CE-CE2 4.26Å; V61-F122 HydrophobicContact CG2-CD2 3.84Å; V61-F122 HydrophobicContact CG2-CE2 3.76Å; L64-F122 HydrophobicContact CD1-CE2 4.22Å; L64-F122 HydrophobicContact CD1-CZ 3.86Å; I89-F122 HydrophobicContact CD1-CD1 4.42Å; I89-F122 HydrophobicContact CD1-CE1 4.1Å; I89-F122 HydrophobicContact CG2-CD1 3.96Å; I89-F122 HydrophobicContact CG2-CE1 3.73Å; L118-F122 VanDerWaalsContact O-CB 3.25Å; L118-F122 WeakPolarHBondContact O-CB 3.47Å; L118-F122 PolarHBondContact O-N 2.97Å; Y119-F122 WeakPolarHBondContact O-CB 3.25Å; Y119-F122 PolarHBondContact O-N 3.29Å; F122-T124 PolarHBondContact O-N 3.05Å; F122-L125 PolarHBondContact O-N 3.42Å; F122-C126 PolarHBondContact O-N 2.93Å
123V98.9Very high98.3Very high5 Ų554.1 Ų54.13%0.0329%0.293CS..Hα-helixtrans-57.3-50.6175.3170.70000110.8I89 Y119 L125 C126 E127 H145I89-V123 HydrophobicContact CB-CG2 4.38Å; I89-V123 HydrophobicContact CD1-CG2 4.12Å; I89-V123 HydrophobicContact CG2-CG2 4.16Å; Y119-V123 HydrophobicContact CD1-CG2 4.42Å; Y119-V123 HydrophobicContact CE1-CG2 3.97Å; Y119-V123 HydrophobicContact CE2-CG2 4.07Å; Y119-V123 WeakPolarHBondContact O-CG2 3.5Å; Y119-V123 PolarHBondContact O-N 2.59Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 PolarHBondContact O-N 3.18Å; V123-C126 WeakPolarHBondContact O-CB 3.47Å; V123-C126 PolarHBondContact O-N 3.45Å; V123-C126 VanDerWaalsContact O-N 3.1Å; V123-E127 HydrophobicContact CG1-CG 4.5Å; V123-E127 WeakPolarHBondContact O-CG 3.22Å; V123-E127 PolarHBondContact O-N 3.15Å; V123-H145 HydrophobicContact CG1-CB 4.11Å; V123-H145 HydrophobicContact CG2-CB 3.99Å
124T98.8Very high98.3Very high57 Ų5749.6 Ų49.635%0.3528%0.28SS..Hα-helixtrans-57.6-39.6179.7-58.60000112.2S120 Q121 F122 K128S120-T124 PolarHBondContact O-N 3.39Å; S120-T124 VanDerWaalsContact O-N 3.07Å; S120-T124 PolarHBondContact O-OG1 3.48Å; Q121-T124 PolarHBondContact O-N 3.48Å; F122-T124 PolarHBondContact O-N 3.05Å; T124-K128 HydrophobicContact CG2-CD 4.4Å; T124-K128 WeakPolarHBondContact O-CG 3.34Å; T124-K128 PolarHBondContact O-N 3.14Å; T124-K128 VanDerWaalsContact O-N 3.09Å
125L98.8Very high98.4Very high54 Ų5450.9 Ų50.928%0.28329%0.285SS..Hα-helixtrans-71.6-37.6178.7-70.7169.1000111.8L57 V61 Q121 F122 V123 K128 E129L57-L125 HydrophobicContact CB-CD1 3.63Å; L57-L125 HydrophobicContact CD1-CD1 4.45Å; V61-L125 HydrophobicContact CG2-CB 3.7Å; Q121-L125 VanDerWaalsContact O-CG 3.31Å; Q121-L125 WeakPolarHBondContact O-CG 3.44Å; Q121-L125 PolarHBondContact O-N 2.96Å; F122-L125 PolarHBondContact O-N 3.42Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 PolarHBondContact O-N 3.18Å; L125-K128 PolarHBondContact O-N 3.11Å; L125-E129 WeakPolarHBondContact O-CB 3.43Å; L125-E129 PolarHBondContact O-N 3.33Å
126C98.8Very high98.4Very high0 Ų051 Ų510%029%0.286CS..Hα-helixtrans-61.3-45.8172.1-74.80000111.9L65 I89 F122 V123 K128 E129 V130 V143L65-C126 HydrophobicContact CD1-CB 4.5Å; I89-C126 HydrophobicContact CD1-CB 3.7Å; F122-C126 PolarHBondContact O-N 2.93Å; V123-C126 WeakPolarHBondContact O-CB 3.47Å; V123-C126 PolarHBondContact O-N 3.45Å; V123-C126 VanDerWaalsContact O-N 3.1Å; C126-K128 VanDerWaalsContact C-N 3.35Å; C126-K128 PolarHBondContact O-N 3.41Å; C126-E129 PolarHBondContact O-N 2.84Å; C126-V130 WeakPolarHBondContact O-CB 3.44Å; C126-V130 VanDerWaalsContact O-CG2 3.24Å; C126-V130 WeakPolarHBondContact O-CG2 3.35Å; C126-V130 PolarHBondContact O-N 2.88Å; C126-V143 HydrophobicContact CB-CG1 4.45Å
127E98.8Very high98.3Very high78 Ų7850.1 Ų50.136%0.36429%0.29SS..Hα-helixtrans-57.8-46.2176.2-71.5170.3169.600111.8V123 V130 A131 V143V123-E127 HydrophobicContact CG1-CG 4.5Å; V123-E127 WeakPolarHBondContact O-CG 3.22Å; V123-E127 PolarHBondContact O-N 3.15Å; E127-V130 PolarHBondContact O-N 2.95Å; E127-A131 VanDerWaalsContact O-CB 3.29Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.99Å; E127-V143 HydrophobicContact CG-CB 3.99Å; E127-V143 HydrophobicContact CG-CG1 4.04Å
128K98.6Very high98.2Very high137 Ų13753.8 Ų53.860%0.59631%0.307SS*.Hα-helixtrans-62.3-44.7177.6-75.7176.7-180179.70112.5T124 L125 C126 V130 A131 A132T124-K128 HydrophobicContact CG2-CD 4.4Å; T124-K128 WeakPolarHBondContact O-CG 3.34Å; T124-K128 PolarHBondContact O-N 3.14Å; T124-K128 VanDerWaalsContact O-N 3.09Å; L125-K128 PolarHBondContact O-N 3.11Å; C126-K128 VanDerWaalsContact C-N 3.35Å; C126-K128 PolarHBondContact O-N 3.41Å; K128-V130 VanDerWaalsContact C-N 3.35Å; K128-A131 PolarHBondContact O-N 2.92Å; K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.49Å; K128-A132 PolarHBondContact O-N 2.86Å
129E98.4Very high98.1Very high77 Ų7756.6 Ų56.636%0.3633%0.33SS..Hα-helixtrans-64.3-41.5-179.3-170.465.6-165.400111.3V61 L65 L81 L125 C126 A132 N133V61-E129 HydrophobicContact CG1-CB 3.88Å; V61-E129 HydrophobicContact CG1-CG 4.1Å; L65-E129 HydrophobicContact CD1-CB 3.93Å; L65-E129 HydrophobicContact CD1-CG 3.88Å; L81-E129 HydrophobicContact CD1-CG 4.42Å; L125-E129 WeakPolarHBondContact O-CB 3.43Å; L125-E129 PolarHBondContact O-N 3.33Å; C126-E129 PolarHBondContact O-N 2.84Å; E129-A132 PolarHBondContact O-N 2.86Å; E129-N133 PolarHBondContact O-N 3.24Å
130V98.4Very high98Very high7 Ų758.8 Ų58.84%0.04236%0.355CS..Hα-helixtrans-67.3-43.6176.81730000111.2L65 L81 I87 C126 E127 K128 A132 N133 C136 V141 V143L65-V130 HydrophobicContact CD1-CG2 4.29Å; L81-V130 HydrophobicContact CD2-CG2 4.03Å; I87-V130 HydrophobicContact CD1-CG2 3.48Å; I87-V130 VanDerWaalsContact CD1-CG2 3.48Å; C126-V130 WeakPolarHBondContact O-CB 3.44Å; C126-V130 VanDerWaalsContact O-CG2 3.24Å; C126-V130 WeakPolarHBondContact O-CG2 3.35Å; C126-V130 PolarHBondContact O-N 2.88Å; E127-V130 PolarHBondContact O-N 2.95Å; K128-V130 VanDerWaalsContact C-N 3.35Å; V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 3.42Å; V130-N133 PolarHBondContact O-N 2.89Å; V130-C136 HydrophobicContact CG1-CB 3.83Å; V130-C136 WeakPolarHBondContact O-CB 3.26Å; V130-V141 HydrophobicContact CG1-CB 4.11Å; V130-V141 HydrophobicContact CG1-CG1 3.71Å; V130-V143 HydrophobicContact CB-CG2 3.9Å; V130-V143 HydrophobicContact CG1-CG2 4Å; V130-V143 HydrophobicContact CG2-CG2 3.7Å
131A97.9Very high98Very high74 Ų7457.3 Ų57.361%0.61234%0.344SS*.Hα-helixtrans-65.9-31.9177.500000113E127 K128 N133E127-A131 VanDerWaalsContact O-CB 3.29Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.99Å; K128-A131 PolarHBondContact O-N 2.92Å; A131-N133 VanDerWaalsContact C-N 3.31Å
132A97.8Very high98Very high83 Ų8357.2 Ų57.269%0.68635%0.347SS*.Hα-helixtrans-76.3-17.6176.100000113.3K128 E129 V130K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.49Å; K128-A132 PolarHBondContact O-N 2.86Å; E129-A132 PolarHBondContact O-N 2.86Å; V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 3.42Å
133N98.3Very high98Very high39 Ų3958.2 Ų58.221%0.20935%0.353CS..  trans-83.9117.3178.7-171.6-68.2000111E129 V130 A131 K135 C136 A137E129-N133 PolarHBondContact O-N 3.24Å; V130-N133 PolarHBondContact O-N 2.89Å; A131-N133 VanDerWaalsContact C-N 3.31Å; N133-K135 VanDerWaalsContact C-N 3.34Å; N133-K135 PolarHBondContact O-N 3.35Å; N133-K135 WeakPolarHBondContact OD1-CB 3.4Å; N133-K135 PolarHBondContact OD1-N 3.39Å; N133-K135 VanDerWaalsContact OD1-N 3.1Å; N133-C136 HydrophobicContact CB-CB 4.05Å; N133-C136 PolarHBondContact O-N 2.87Å; N133-C136 PolarHBondContact OD1-N 2.91Å; N133-A137 WeakPolarHBondContact O-CB 3.49Å; N133-A137 PolarHBondContact O-N 3Å
134S97.6Very high97.9Very high76 Ų7660.8 Ų60.853%0.53137%0.365SS..Hα-helixtrans-59.6-39.5-175.457.80000113.6A137 E138S134-A137 PolarHBondContact O-N 2.82Å; S134-E138 WeakPolarHBondContact O-CB 3.07Å; S134-E138 VanDerWaalsContact O-CG 3.26Å; S134-E138 WeakPolarHBondContact O-CG 3.43Å; S134-E138 PolarHBondContact O-N 3.09Å
135K97.4Very high98Very high93 Ų9361.4 Ų61.440%0.40436%0.364SS..Hα-helixtrans-64.5-43.4178.4-62.2179.1-177.3174.30111.3D82 P84 N133 A139D82-K135 IonicContact OD1-NZ 3.39Å; D82-K135 PolarHBondContact OD1-NZ 2.87Å; P84-K135 HydrophobicContact CB-CB 4.48Å; P84-K135 HydrophobicContact CG-CB 4.28Å; N133-K135 VanDerWaalsContact C-N 3.34Å; N133-K135 PolarHBondContact O-N 3.35Å; N133-K135 WeakPolarHBondContact OD1-CB 3.4Å; N133-K135 PolarHBondContact OD1-N 3.39Å; N133-K135 VanDerWaalsContact OD1-N 3.1Å; K135-A139 WeakPolarHBondContact O-CB 3.29Å; K135-A139 PolarHBondContact O-N 3.2Å
136C97.7Very high97.9Very high2 Ų258.8 Ų58.81%0.01435%0.35CS..Hα-helixtrans-66-42.9177.7-690000111.9V130 N133 A139 G140 V141V130-C136 HydrophobicContact CG1-CB 3.83Å; V130-C136 WeakPolarHBondContact O-CB 3.26Å; N133-C136 HydrophobicContact CB-CB 4.05Å; N133-C136 PolarHBondContact O-N 2.87Å; N133-C136 PolarHBondContact OD1-N 2.91Å; C136-A139 PolarHBondContact O-N 2.96Å; C136-G140 PolarHBondContact O-N 3.17Å; C136-G140 VanDerWaalsContact O-N 3.08Å; C136-V141 HydrophobicContact CB-CB 3.91Å; C136-V141 HydrophobicContact CB-CG1 4.47Å; C136-V141 HydrophobicContact CB-CG2 3.93Å; C136-V141 PolarHBondContact O-N 2.75Å
137A96Very high97.9Very high62 Ų6261.3 Ų61.351%0.51237%0.365SS..Hα-helixtrans-62.8-45.9177.500000111.9N133 S134 G140N133-A137 WeakPolarHBondContact O-CB 3.49Å; N133-A137 PolarHBondContact O-N 3Å; S134-A137 PolarHBondContact O-N 2.82Å; A137-G140 PolarHBondContact O-N 3.06Å
138E96.9Very high97.9Very high163 Ų16360.2 Ų60.276%0.76236%0.358SS*.Hα-helixtrans-65.2-37.5177.4-73.4169.8-163.200112.5S134 G140S134-E138 WeakPolarHBondContact O-CB 3.07Å; S134-E138 VanDerWaalsContact O-CG 3.26Å; S134-E138 WeakPolarHBondContact O-CG 3.43Å; S134-E138 PolarHBondContact O-N 3.09Å; E138-G140 VanDerWaalsContact C-N 3.28Å; E138-G140 PolarHBondContact O-N 3.48Å
139A97.1Very high97.8Very high61 Ų6156.8 Ų56.850%0.50436%0.362SS..Hα-helixtrans-79.9-6.5178.900000114P84 K135 C136 V141P84-A139 HydrophobicContact CB-CB 3.71Å; P84-A139 HydrophobicContact CG-CB 3.92Å; K135-A139 WeakPolarHBondContact O-CB 3.29Å; K135-A139 PolarHBondContact O-N 3.2Å; C136-A139 PolarHBondContact O-N 2.96Å; A139-V141 VanDerWaalsContact C-N 3.35Å; A139-V141 HydrophobicContact CB-CG2 4.18Å
140G96.7Very high97.7Very high53 Ų5356 Ų5655%0.54636%0.36SS..THydrogen-bonded Turntrans66.135.9-177.600000113.2C136 A137 E138 V142C136-G140 PolarHBondContact O-N 3.17Å; C136-G140 VanDerWaalsContact O-N 3.08Å; A137-G140 PolarHBondContact O-N 3.06Å; E138-G140 VanDerWaalsContact C-N 3.28Å; E138-G140 PolarHBondContact O-N 3.48Å; G140-V142 PolarHBondContact O-N 3.27Å
141V97.9Very high97.7Very high21 Ų2165.7 Ų65.713%0.12740%0.396CS..  trans-61.1133.1178.1173.10000110.2P84 G85 V130 C136 A139P84-V141 HydrophobicContact CB-CG2 3.58Å; P84-V141 WeakPolarHBondContact O-CG2 3.47Å; G85-V141 WeakPolarHBondContact O-CG1 3.4Å; V130-V141 HydrophobicContact CG1-CB 4.11Å; V130-V141 HydrophobicContact CG1-CG1 3.71Å; C136-V141 HydrophobicContact CB-CB 3.91Å; C136-V141 HydrophobicContact CB-CG1 4.47Å; C136-V141 HydrophobicContact CB-CG2 3.93Å; C136-V141 PolarHBondContact O-N 2.75Å; A139-V141 VanDerWaalsContact C-N 3.35Å; A139-V141 HydrophobicContact CB-CG2 4.18Å
142V97.6Very high97.7Very high59 Ų5964 Ų6436%0.35838%0.376SS..  trans-105.7147.5175.4-60.70000111.8V38 N86 I87 G140 E144V38-V142 HydrophobicContact CG1-CG2 4.24Å; N86-V142 HydrophobicContact CB-CG2 4.19Å; N86-V142 WeakPolarHBondContact OD1-CG2 3.47Å; N86-V142 PolarHBondContact OD1-N 2.84Å; I87-V142 PolarHBondContact N-O 2.69Å; G140-V142 PolarHBondContact O-N 3.27Å; V142-E144 HydrophobicContact CG2-CG 4.37Å
143V98.8Very high97.7Very high22 Ų2262.6 Ų62.613%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-112.5113.1168.2-176.40000107.2I87 I89 C126 E127 V130I87-V143 HydrophobicContact CB-CG1 4.43Å; I87-V143 HydrophobicContact CB-CG2 4.37Å; I87-V143 HydrophobicContact CD1-CG2 4.35Å; I87-V143 HydrophobicContact CG2-CG1 4.38Å; I87-V143 WeakPolarHBondContact O-CA 3.46Å; I89-V143 HydrophobicContact CD1-CG1 3.94Å; I89-V143 HydrophobicContact CG1-CG1 4.45Å; C126-V143 HydrophobicContact CB-CG1 4.45Å; E127-V143 HydrophobicContact CG-CB 3.99Å; E127-V143 HydrophobicContact CG-CG1 4.04Å; V130-V143 HydrophobicContact CB-CG2 3.9Å; V130-V143 HydrophobicContact CG1-CG2 4Å; V130-V143 HydrophobicContact CG2-CG2 3.7Å
144E98.8Very high97.7Very high59 Ų5963.4 Ų63.428%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-109.9154.8175.9-69.5-65.9170.700109.8V36 V38 I87 L88 I89 V142V36-E144 HydrophobicContact CB-CB 4.29Å; V36-E144 HydrophobicContact CB-CG 4.16Å; V36-E144 WeakPolarHBondContact CB-OE2 3.28Å; V36-E144 VanDerWaalsContact CG1-OE2 3.31Å; V36-E144 WeakPolarHBondContact CG1-OE2 3.12Å; V36-E144 HydrophobicContact CG2-CB 4.02Å; V36-E144 HydrophobicContact CG2-CG 4.44Å; V38-E144 HydrophobicContact CG1-CB 3.74Å; V38-E144 HydrophobicContact CG1-CG 3.7Å; I87-E144 PolarHBondContact O-N 2.97Å; L88-E144 CarbonylContact C-O 3.59Å; L88-E144 VanDerWaalsContact CA-O 3.32Å; L88-E144 WeakPolarHBondContact CA-O 3.48Å; L88-E144 HydrophobicContact CD1-CB 3.91Å; I89-E144 PolarHBondContact N-O 3.44Å; V142-E144 HydrophobicContact CG2-CG 4.37Å
145H98.9Very high97.8Very high69 Ų6966.9 Ų66.932%0.31937%0.368SS..EExtended strand (participates in β ladder)trans-147.4150.1-175.37280000113.5I89 Y119 V123I89-H145 HydrophobicContact CB-CB 4.18Å; I89-H145 CarbonylContact O-C 3.53Å; I89-H145 VanDerWaalsContact O-CA 3.31Å; I89-H145 WeakPolarHBondContact O-CA 3.09Å; Y119-H145 WeakPolarHBondContact OH-CB 3.43Å; V123-H145 HydrophobicContact CG1-CB 4.11Å; V123-H145 HydrophobicContact CG2-CB 3.99Å
146G98.7Very high97.9Very high0 Ų065 Ų650%036%0.362CS..PPolyproline II helixtrans-68.9154.6174.100000112.4L22 I89 Y119 Y148L22-G146 VanDerWaalsContact CD2-CA 3.41Å; I89-G146 PolarHBondContact O-N 2.69Å; Y119-G146 PolarHBondContact OH-N 3.04Å; Y119-G146 PolarHBondContact OH-O 2.87Å; G146-Y148 PolarHBondContact O-N 3.28Å
147T98.6Very high97.9Very high52 Ų5269 Ų6932%0.31938%0.383SS..PPolyproline II helixtrans-81.6120.3169.9-62.90000109.2I24 G149 N150 Q152I24-T147 VanDerWaalsContact O-CB 3.29Å; I24-T147 WeakPolarHBondContact O-CB 3.18Å; I24-T147 PolarHBondContact O-OG1 3.19Å; T147-G149 PolarHBondContact O-N 3.21Å; T147-N150 WeakPolarHBondContact CB-ND2 3.41Å; T147-N150 HydrophobicContact CG2-CB 4.39Å; T147-N150 VanDerWaalsContact CG2-ND2 3.33Å; T147-N150 WeakPolarHBondContact CG2-ND2 3.26Å; T147-N150 WeakPolarHBondContact O-CB 3.23Å; T147-N150 PolarHBondContact O-N 2.65Å; T147-N150 VanDerWaalsContact O-N 3.16Å; T147-Q152 PolarHBondContact O-NE2 2.87Å
148Y98.1Very high98Very high55 Ų5568.2 Ų68.222%0.21637%0.372CS..THydrogen-bonded Turntrans-60.7134.1-179.1-167-84.9000111.1P91 G115 L116 Y119 G146 N150P91-Y148 HydrophobicContact CB-CD2 3.63Å; P91-Y148 HydrophobicContact CB-CE2 4.1Å; P91-Y148 HydrophobicContact CB-CG 4.49Å; P91-Y148 HydrophobicContact CG-CD2 4.32Å; G115-Y148 WeakPolarHBondContact O-CE2 3.35Å; L116-Y148 HydrophobicContact CB-CD1 3.92Å; L116-Y148 HydrophobicContact CB-CE1 3.95Å; L116-Y148 HydrophobicContact CB-CG 4.39Å; L116-Y148 HydrophobicContact CD1-CD1 3.83Å; L116-Y148 HydrophobicContact CD1-CG 3.75Å; L116-Y148 HydrophobicContact CG-CD1 4.43Å; Y119-Y148 AromaticContact CD1-CD2 3.7Å; Y119-Y148 HydrophobicContact CD1-CD2 3.7Å; Y119-Y148 HydrophobicContact CD1-CG 4.26Å; Y119-Y148 HydrophobicContact CD2-CD2 4.31Å; Y119-Y148 HydrophobicContact CE1-CD2 4.44Å; Y119-Y148 AromaticContact CG-CD2 3.63Å; Y119-Y148 HydrophobicContact CG-CD2 3.63Å; Y119-Y148 HydrophobicContact CG-CE2 4.25Å; G146-Y148 PolarHBondContact O-N 3.28Å; Y148-N150 VanDerWaalsContact C-N 3.26Å; Y148-N150 PolarHBondContact O-N 3.34Å
149G95.5Very high98Very high65 Ų6567 Ų6767%0.6737%0.37SS*.THydrogen-bonded Turntrans83.4-13-177.300000115.1T147T147-G149 PolarHBondContact O-N 3.21Å
150N96.9Very high98.1Very high61 Ų6166.1 Ų66.133%0.32637%0.368SS..SBendtrans-80.3164.3173.8-74.10.6000111.9I24 T147 Y148 Q152I24-N150 PolarHBondContact O-ND2 3.22Å; T147-N150 WeakPolarHBondContact CB-ND2 3.41Å; T147-N150 HydrophobicContact CG2-CB 4.39Å; T147-N150 VanDerWaalsContact CG2-ND2 3.33Å; T147-N150 WeakPolarHBondContact CG2-ND2 3.26Å; T147-N150 WeakPolarHBondContact O-CB 3.23Å; T147-N150 PolarHBondContact O-N 2.65Å; T147-N150 VanDerWaalsContact O-N 3.16Å; Y148-N150 VanDerWaalsContact C-N 3.26Å; Y148-N150 PolarHBondContact O-N 3.34Å; N150-Q152 PolarHBondContact O-N 3.46Å; N150-Q152 PolarHBondContact O-NE2 3.24Å
151R97.7Very high98.1Very high211 Ų21165.8 Ų65.880%0.79636%0.356SS*.  trans-68.8124.4166.2-170.1177.3-158.5-177.26.1109.1V153R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 HydrophobicContact CB-CG2 4.39Å; R151-V153 HydrophobicContact CG-CG2 3.97Å; R151-V153 PolarHBondContact O-N 3.04Å
152Q98.4Very high98.1Very high39 Ų3969.4 Ų69.418%0.18237%0.37CS..  trans-82.774.8179.3-50.9-55.5-48.600109.9L22 I90 T147 N150 L154L22-Q152 HydrophobicContact CD1-CB 4.18Å; I90-Q152 HydrophobicContact CG2-CB 3.89Å; I90-Q152 HydrophobicContact CG2-CG 3.71Å; T147-Q152 PolarHBondContact O-NE2 2.87Å; N150-Q152 PolarHBondContact O-N 3.46Å; N150-Q152 PolarHBondContact O-NE2 3.24Å; Q152-L154 PolarHBondContact O-N 3.19Å; Q152-L154 VanDerWaalsContact O-N 3.16Å
153V98.6Very high98.2Very high52 Ų5269.8 Ų69.832%0.31537%0.373SS..  trans-73.6105.4177-174.70000108.5Q23 W35 R151Q23-V153 HydrophobicContact CB-CB 3.85Å; Q23-V153 HydrophobicContact CB-CG2 4.46Å; Q23-V153 PolarHBondContact N-O 3.22Å; W35-V153 HydrophobicContact CH2-CB 4.2Å; W35-V153 HydrophobicContact CH2-CG1 3.71Å; W35-V153 HydrophobicContact CZ3-CB 4.29Å; W35-V153 HydrophobicContact CZ3-CG1 4.03Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 HydrophobicContact CB-CG2 4.39Å; R151-V153 HydrophobicContact CG-CG2 3.97Å; R151-V153 PolarHBondContact O-N 3.04Å
154L98.8Very high98.2Very high56 Ų5672 Ų7229%0.29338%0.381SS..EExtended strand (participates in β ladder)trans-119.2134.7-169.7178.667.6000111.1A20 R21 L22 Y45 L88 I90 Q152 L156A20-L154 HydrophobicContact CB-CD1 4.46Å; R21-L154 WeakPolarHBondContact O-CA 3.36Å; L22-L154 HydrophobicContact CB-CD1 4.38Å; L22-L154 HydrophobicContact CD1-CB 4.25Å; L22-L154 HydrophobicContact CD1-CD1 4.3Å; Y45-L154 HydrophobicContact CE1-CD2 4.07Å; Y45-L154 WeakPolarHBondContact OH-CD2 3.38Å; L88-L154 HydrophobicContact CD2-CD1 3.93Å; I90-L154 HydrophobicContact CD1-CD1 3.96Å; I90-L154 HydrophobicContact CD1-CD2 3.73Å; I90-L154 HydrophobicContact CD1-CG 4.38Å; Q152-L154 PolarHBondContact O-N 3.19Å; Q152-L154 VanDerWaalsContact O-N 3.16Å; L154-L156 HydrophobicContact CG-CB 4.49Å
155K98.8Very high98.2Very high149 Ų14973.7 Ų73.765%0.64839%0.392SS*.EExtended strand (participates in β ladder)trans-112.8131.3159.9-175.1-179.7178.9-1740108.1A20 R21A20-K155 WeakPolarHBondContact CA-O 3.29Å; R21-K155 HydrophobicContact CB-CB 4.4Å; R21-K155 PolarHBondContact N-O 3.2Å; R21-K155 PolarHBondContact O-N 3.3Å
156L98.8Very high98.2Very high54 Ų5472 Ų7228%0.28339%0.385SS..EExtended strand (participates in β ladder)trans-130.8126.5-176-168.364.6000109.6C17 A20 V43 L154 T158C17-L156 HydrophobicContact CB-CD1 3.53Å; C17-L156 HydrophobicContact CB-CG 4.43Å; A20-L156 HydrophobicContact CB-CD1 3.57Å; V43-L156 HydrophobicContact CG2-CD1 3.71Å; L154-L156 HydrophobicContact CG-CB 4.49Å; L156-T158 HydrophobicContact CD2-CG2 4.01Å; L156-T158 HydrophobicContact CG-CG2 3.77Å
157D98.8Very high98.1Very high87 Ų8776.8 Ų76.847%0.46541%0.407SS..EExtended strand (participates in β ladder)trans-112.7135.1172.3-174.422000109.8C17 L18 H19C17-D157 CarbonylContact C-O 3.54Å; C17-D157 WeakPolarHBondContact CA-O 3.46Å; L18-D157 PolarHBondContact N-O 2.82Å; H19-D157 HydrophobicContact CB-CB 4.33Å; H19-D157 PolarHBondContact N-O 3.1Å; H19-D157 PolarHBondContact O-N 2.93Å
158T98.6Very high98Very high44 Ų4475 Ų7527%0.2740%0.395SS..  trans-147.2145.4-169.576.30000111.2Q16 L156 G160 P161Q16-T158 WeakPolarHBondContact O-CG2 3.39Å; L156-T158 HydrophobicContact CD2-CG2 4.01Å; L156-T158 HydrophobicContact CG-CG2 3.77Å; T158-G160 PolarHBondContact O-N 2.85Å; T158-G160 PolarHBondContact OG1-N 2.65Å; T158-P161 HydrophobicContact CG2-CB 4.21Å
159N97Very high98Very high137 Ų13776 Ų7673%0.73340%0.404SS*.SBendtrans-92.950.2161.9-17031.2000110.5L18L18-N159 HydrophobicContact CD1-CB 4.12Å; L18-N159 HydrophobicContact CD2-CB 4.24Å; L18-N159 HydrophobicContact CG-CB 4.31Å
160G97.3Very high98.2Very high43 Ų4376.6 Ų76.644%0.44339%0.39SS..  trans90.3117.8-165.200000111.3T158 F162T158-G160 PolarHBondContact O-N 2.85Å; T158-G160 PolarHBondContact OG1-N 2.65Å; G160-F162 PolarHBondContact O-N 2.98Å
161P97.8Very high98.2Very high47 Ų4777.4 Ų77.431%0.30539%0.394SS..  trans-73.1-12.8-173.527.7-35.3000114Q15 Q16 T158 T163Q15-P161 CarbonylContact C-O 3.54Å; Q15-P161 VanDerWaalsContact CA-O 3.28Å; Q15-P161 WeakPolarHBondContact CA-O 3.2Å; Q15-P161 HydrophobicContact CB-CB 4.22Å; Q15-P161 HydrophobicContact CG-CB 4.28Å; Q16-P161 PolarHBondContact N-O 2.82Å; T158-P161 HydrophobicContact CG2-CB 4.21Å; P161-T163 VanDerWaalsContact C-N 3.27Å; P161-T163 PolarHBondContact O-N 2.8Å; P161-T163 VanDerWaalsContact O-N 3.16Å
162F98.4Very high98.3Very high97 Ų9769.6 Ų69.643%0.42537%0.37SS..  trans41.553.5-178-158.9-122.6000112.9Q16 L69 H77 G160 H164Q16-F162 HydrophobicContact CG-CB 4.18Å; L69-F162 HydrophobicContact CB-CD1 4.44Å; L69-F162 HydrophobicContact CD2-CD1 4.37Å; L69-F162 HydrophobicContact CD2-CE1 3.98Å; H77-F162 AromaticContact CD2-CE1 3.78Å; H77-F162 AromaticContact NE2-CE1 3.62Å; H77-F162 AromaticContact NE2-CZ 3.75Å; G160-F162 PolarHBondContact O-N 2.98Å; F162-H164 AromaticContact CD1-CE1 3.46Å; F162-H164 VanDerWaalsContact CD1-CE1 3.46Å; F162-H164 WeakPolarHBondContact CD1-CE1 3.46Å; F162-H164 AromaticContact CD1-ND1 3.91Å; F162-H164 AromaticContact CE1-CE1 3.32Å; F162-H164 WeakPolarHBondContact CE1-CE1 3.19Å; F162-H164 AromaticContact CE2-CE1 3.98Å; F162-H164 AromaticContact CG-CE1 3.86Å; F162-H164 AromaticContact CZ-CE1 3.59Å; F162-H164 PolarHBondContact O-CE1 2.92Å; F162-H164 PolarHBondContact O-ND1 3.47Å
163T98.8Very high98.3Very high66 Ų6671.5 Ų71.541%0.40538%0.382SS..  trans-67.9130.6-167.4-51.10000112.7L13 L14 Q15 P161L13-T163 HydrophobicContact CD1-CG2 3.93Å; L13-T163 HydrophobicContact CD2-CG2 3.79Å; L13-T163 HydrophobicContact CG-CG2 3.8Å; L14-T163 VanDerWaalsContact O-CA 3.28Å; L14-T163 WeakPolarHBondContact O-CA 3.35Å; Q15-T163 HydrophobicContact CG-CG2 3.98Å; Q15-T163 PolarHBondContact NE2-OG1 3.09Å; P161-T163 VanDerWaalsContact C-N 3.27Å; P161-T163 PolarHBondContact O-N 2.8Å; P161-T163 VanDerWaalsContact O-N 3.16Å
164H98.9Very high98.2Very high68 Ų6872.8 Ų72.832%0.31539%0.386SS..EExtended strand (participates in β ladder)trans-129.6150.2176-71.271.9000111.6L13 L14 L69 F162L13-H164 CarbonylContact C-O 3.52Å; L13-H164 WeakPolarHBondContact CA-O 3.37Å; L14-H164 PolarHBondContact N-O 3.47Å; L14-H164 PolarHBondContact O-N 3.24Å; L69-H164 HydrophobicContact CD1-CB 3.98Å; F162-H164 AromaticContact CD1-CE1 3.46Å; F162-H164 VanDerWaalsContact CD1-CE1 3.46Å; F162-H164 WeakPolarHBondContact CD1-CE1 3.46Å; F162-H164 AromaticContact CD1-ND1 3.91Å; F162-H164 AromaticContact CE1-CE1 3.32Å; F162-H164 WeakPolarHBondContact CE1-CE1 3.19Å; F162-H164 AromaticContact CE2-CE1 3.98Å; F162-H164 AromaticContact CG-CE1 3.86Å; F162-H164 AromaticContact CZ-CE1 3.59Å; F162-H164 PolarHBondContact O-CE1 2.92Å; F162-H164 PolarHBondContact O-ND1 3.47Å
165L98.8Very high98.2Very high95 Ų9574 Ų7450%0.49739%0.393SS..EExtended strand (participates in β ladder)trans-116130.4174-167.478.7000109.5R11 A12 L13R11-L165 HydrophobicContact CG-CD1 3.71Å; R11-L165 HydrophobicContact CG-CD2 4.42Å; R11-L165 HydrophobicContact CG-CG 4.15Å; A12-L165 WeakPolarHBondContact O-CA 3.5Å; A12-L165 WeakPolarHBondContact O-CD1 3.42Å; L13-L165 HydrophobicContact CB-CD1 3.99Å; L13-L165 HydrophobicContact CD1-CD1 4.34Å
166I98.6Very high98.1Very high33 Ų3368.2 Ų68.217%0.16937%0.373CS..EExtended strand (participates in β ladder)trans-126.8132.6178.5-57.2177.2000108.9A12 L14 T63 L64 V67 F168A12-I166 PolarHBondContact N-O 2.93Å; A12-I166 PolarHBondContact O-N 3.43Å; L14-I166 HydrophobicContact CD2-CD1 4.31Å; T63-I166 HydrophobicContact CG2-CG2 4.26Å; L64-I166 HydrophobicContact CD2-CB 4.14Å; L64-I166 HydrophobicContact CD2-CD1 3.69Å; L64-I166 HydrophobicContact CD2-CG1 4.43Å; L64-I166 HydrophobicContact CD2-CG2 4.29Å; V67-I166 HydrophobicContact CG1-CD1 4.37Å; I166-F168 HydrophobicContact CB-CE2 4.27Å; I166-F168 HydrophobicContact CG2-CD2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 4.33Å; I166-F168 HydrophobicContact CG2-CE2 3.69Å; I166-F168 HydrophobicContact CG2-CZ 3.62Å
167E97.9Very high98.1Very high102 Ų10269.4 Ų69.448%0.47738%0.381SS..EExtended strand (participates in β ladder)trans-113.6145-177.9-72-161.515000110.8L8 R11L8-E167 HydrophobicContact CD1-CB 3.52Å; L8-E167 HydrophobicContact CD1-CG 3.82Å; R11-E167 HydrophobicContact CG-CG 4.4Å; R11-E167 IonicContact CZ-OE1 2.85Å; R11-E167 IonicContact NE-OE1 3.51Å; R11-E167 PolarHBondContact NE-OE1 3.44Å; R11-E167 IonicContact NH2-OE1 2.65Å; R11-E167 PolarHBondContact NH2-OE1 3.45Å
168F96.3Very high98Very high14 Ų1467.8 Ų67.86%0.06137%0.373CS..  trans-126.80-173.4-67-83.8000112.1L8 Q9 A10 A12 I56 M60 T63 L64 I166L8-F168 CarbonylContact C-O 3.58Å; Q9-F168 PolarHBondContact N-O 3.16Å; A10-F168 HydrophobicContact CB-CB 4.12Å; A10-F168 HydrophobicContact CB-CD2 4.29Å; A10-F168 PolarHBondContact N-O 3.13Å; A10-F168 PolarHBondContact O-N 3.41Å; A12-F168 HydrophobicContact CB-CE2 4.27Å; I56-F168 HydrophobicContact CD1-CB 4.13Å; I56-F168 HydrophobicContact CG1-CB 3.93Å; M60-F168 HydrophobicContact CB-CD1 4.46Å; M60-F168 HydrophobicContact CB-CE1 4.16Å; M60-F168 HydrophobicContact CB-CE2 4.45Å; M60-F168 HydrophobicContact CB-CZ 4.14Å; M60-F168 HydrophobicContact CE-CD2 4.12Å; M60-F168 HydrophobicContact CE-CE2 4.22Å; M60-F168 HydrophobicContact CG-CB 4.31Å; M60-F168 HydrophobicContact CG-CD1 3.58Å; M60-F168 HydrophobicContact CG-CD2 3.77Å; M60-F168 HydrophobicContact CG-CE1 3.75Å; M60-F168 HydrophobicContact CG-CE2 3.91Å; M60-F168 HydrophobicContact CG-CG 3.6Å; M60-F168 HydrophobicContact CG-CZ 3.89Å; M60-F168 HydrophobicContact SD-CD2 4.32Å; M60-F168 HydrophobicContact SD-CG 4.39Å; T63-F168 HydrophobicContact CG2-CE1 4.02Å; T63-F168 HydrophobicContact CG2-CZ 4Å; L64-F168 HydrophobicContact CD1-CE2 4.34Å; L64-F168 HydrophobicContact CD1-CZ 4.4Å; L64-F168 HydrophobicContact CD2-CE2 3.98Å; L64-F168 HydrophobicContact CD2-CZ 3.73Å; L64-F168 HydrophobicContact CG-CE2 4.26Å; L64-F168 HydrophobicContact CG-CZ 3.9Å; I166-F168 HydrophobicContact CB-CE2 4.27Å; I166-F168 HydrophobicContact CG2-CD2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 4.33Å; I166-F168 HydrophobicContact CG2-CE2 3.69Å; I166-F168 HydrophobicContact CG2-CZ 3.62Å

Retrieved 168 of 168 residues in 53.8 ms (Link to these results)

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