A0A060D6M9_MAIZE Loading...

FHA transcription factor

AlphaFold DB , UniProt , Accession A0A060D6M9, Species MAIZE (Zea mays, Maize), Gene FHA15, Length 522 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
1M46.1Very low81.5Confident233 Ų23369.1 Ų69.1100%1.14841%0.406SS*.  0152.30-62.9-49.9-171.100107.6
2A68Low82.7Confident99 Ų9963.4 Ų63.482%0.81837%0.372SS*.PPolyproline II helixtrans-79.1141.3160.500000108
3D68.6Low83.7Confident148 Ų14867.2 Ų67.279%0.79138%0.382SS*.PPolyproline II helixtrans-66.9148175.7-61.3-55.2000110.5
4P75.4Confident84.4Confident52 Ų5272.1 Ų72.134%0.33840%0.397SS..PPolyproline II helixtrans-62.9138.5-178.925.6-33.6000110.7A114P4-A114 HydrophobicContact CG-CB 4.28Å
5P79Confident85Confident78 Ų7868.7 Ų68.751%0.50638%0.384SS..PPolyproline II helixtrans-60.2126.6-17923.6-32.9000110.3V7 A26P5-V7 PolarHBondContact O-N 2.99Å; P5-A26 HydrophobicContact CB-CB 3.96Å
6P87.6Confident85.5Confident20 Ų2069.6 Ų69.613%0.1339%0.394CS..PPolyproline II helixtrans-60132.8-178.920.1-30.4000110.9A26 F58 W66 I110 T112P6-A26 HydrophobicContact CG-CB 3.88Å; P6-A26 VanDerWaalsContact O-CB 3.31Å; P6-A26 WeakPolarHBondContact O-CB 3.25Å; P6-A26 PolarHBondContact O-N 2.93Å; P6-A26 VanDerWaalsContact O-N 3.1Å; P6-F58 HydrophobicContact CG-CD2 4.15Å; P6-F58 HydrophobicContact CG-CE2 3.33Å; P6-F58 HydrophobicContact CG-CZ 3.77Å; P6-W66 WeakPolarHBondContact O-CZ2 3.47Å; P6-W66 PolarHBondContact O-NE1 3.5Å; P6-I110 HydrophobicContact CB-CG2 3.99Å; P6-T112 HydrophobicContact CB-CG2 3.75Å
7V91.8Very high85.8Confident29 Ų2967.8 Ų67.818%0.17639%0.386CS..EExtended strand (participates in β ladder)trans-102.6115.6-179.8-171.90000109.3P5 Q23 S111P5-V7 PolarHBondContact O-N 2.99Å; V7-Q23 HydrophobicContact CG1-CG 3.41Å; V7-Q23 VanDerWaalsContact CG1-CG 3.41Å; V7-S111 PolarHBondContact N-O 3.08Å; V7-S111 PolarHBondContact O-N 3.46Å; V7-S111 PolarHBondContact O-OG 3.34Å
8L94.3Very high86.2Confident0 Ų072.7 Ų72.70%040%0.403CS..EExtended strand (participates in β ladder)trans-79.6137.7173.917370000109.9L10 Q23 R24 L31 V56 W66 V108 S109 I110L8-L10 HydrophobicContact CD1-CD2 3.93Å; L8-L10 HydrophobicContact CD1-CG 4.47Å; L8-L10 HydrophobicContact CD2-CD2 4.35Å; L8-L10 HydrophobicContact CD2-CG 4.25Å; L8-L10 HydrophobicContact CG-CD2 4.27Å; L8-L10 HydrophobicContact CG-CG 4.28Å; L8-Q23 CarbonylContact O-C 3.53Å; L8-Q23 VanDerWaalsContact O-CA 3.29Å; L8-Q23 WeakPolarHBondContact O-CA 3.4Å; L8-Q23 WeakPolarHBondContact O-CG 3.34Å; L8-R24 PolarHBondContact N-O 3.1Å; L8-R24 PolarHBondContact O-N 3.3Å; L8-L31 HydrophobicContact CD2-CD2 4.26Å; L8-V56 HydrophobicContact CD2-CB 4.3Å; L8-V56 HydrophobicContact CD2-CG1 3.53Å; L8-W66 HydrophobicContact CB-CD2 3.81Å; L8-W66 VanDerWaalsContact CB-CE2 3.49Å; L8-W66 HydrophobicContact CB-CE3 4.21Å; L8-W66 HydrophobicContact CB-CG 4.36Å; L8-W66 HydrophobicContact CB-CH2 4.04Å; L8-W66 HydrophobicContact CB-CZ2 3.6Å; L8-W66 HydrophobicContact CB-CZ3 4.32Å; L8-W66 HydrophobicContact CD2-CD2 4.03Å; L8-W66 HydrophobicContact CD2-CE3 3.74Å; L8-W66 HydrophobicContact CD2-CH2 4.46Å; L8-W66 HydrophobicContact CD2-CZ3 3.97Å; L8-W66 HydrophobicContact CG-CD2 4.42Å; L8-V108 HydrophobicContact CD1-CG1 3.74Å; L8-S109 CarbonylContact C-O 3.52Å; L8-I110 HydrophobicContact CD1-CG1 4.02Å
9T95.1Very high86.5Confident30 Ų3071.4 Ų71.418%0.18441%0.407CS..EExtended strand (participates in β ladder)trans-125.4129.3167.5-51.50000108.8T21 L22 S109T9-T21 HydrophobicContact CG2-CG2 3.69Å; T9-L22 CarbonylContact C-O 3.52Å; T9-L22 WeakPolarHBondContact CA-O 3.45Å; T9-S109 PolarHBondContact N-O 2.71Å; T9-S109 PolarHBondContact O-N 2.98Å
10L95.2Very high86.8Confident0 Ų071.1 Ų71.10%040%0.404CS..EExtended strand (participates in β ladder)trans-111.7121173.1-62.3-176.3000109.4L8 T21 L22 L31 V33 L42 V56 A107 V108L8-L10 HydrophobicContact CD1-CD2 3.93Å; L8-L10 HydrophobicContact CD1-CG 4.47Å; L8-L10 HydrophobicContact CD2-CD2 4.35Å; L8-L10 HydrophobicContact CD2-CG 4.25Å; L8-L10 HydrophobicContact CG-CD2 4.27Å; L8-L10 HydrophobicContact CG-CG 4.28Å; L10-T21 WeakPolarHBondContact O-CA 3.33Å; L10-L22 PolarHBondContact N-O 2.72Å; L10-L22 PolarHBondContact O-N 3.41Å; L10-L31 HydrophobicContact CD1-CD2 3.7Å; L10-L31 HydrophobicContact CG-CD2 4.39Å; L10-V33 HydrophobicContact CD1-CG2 4.31Å; L10-L42 HydrophobicContact CB-CD2 4.38Å; L10-L42 HydrophobicContact CD1-CD2 4.44Å; L10-V56 HydrophobicContact CD1-CG2 4.42Å; L10-A107 WeakPolarHBondContact CA-O 3.41Å; L10-V108 HydrophobicContact CD2-CB 4.44Å; L10-V108 HydrophobicContact CD2-CG2 3.84Å
11L95.5Very high87.1Confident71 Ų7171.3 Ų71.337%0.37241%0.407SS..EExtended strand (participates in β ladder)trans-112.7123.7178.316965000110.5K13 T21 L106 A107L11-K13 PolarHBondContact O-N 2.93Å; L11-T21 VanDerWaalsContact CD1-OG1 3.23Å; L11-T21 WeakPolarHBondContact CD1-OG1 3.15Å; L11-L106 CarbonylContact O-C 3.57Å; L11-L106 WeakPolarHBondContact O-CA 3.29Å; L11-A107 PolarHBondContact N-O 2.89Å; L11-A107 PolarHBondContact O-N 2.74Å
12V96.3Very high89.4Confident1 Ų162.2 Ų62.21%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-73.995.2174.4-171.80000109.7K14 C17 K18 G19 N20 L42 T104 L106V12-K14 VanDerWaalsContact CG1-O 3.27Å; V12-K14 WeakPolarHBondContact CG1-O 3.29Å; V12-C17 WeakPolarHBondContact CB-O 3.33Å; V12-C17 WeakPolarHBondContact CG1-O 3.38Å; V12-K18 CarbonylContact O-C 3.48Å; V12-K18 WeakPolarHBondContact O-CA 3.31Å; V12-G19 PolarHBondContact O-N 3.36Å; V12-N20 HydrophobicContact CB-CB 4.45Å; V12-N20 HydrophobicContact CG2-CB 3.96Å; V12-N20 WeakPolarHBondContact CG2-O 3.37Å; V12-N20 PolarHBondContact N-O 3.03Å; V12-L42 HydrophobicContact CG2-CD1 4.36Å; V12-L42 HydrophobicContact CG2-CD2 4.41Å; V12-T104 HydrophobicContact CG1-CG2 4.16Å; V12-L106 HydrophobicContact CB-CD2 4.33Å; V12-L106 HydrophobicContact CG1-CD2 4.4Å; V12-L106 HydrophobicContact CG2-CD2 3.76Å
13K94.8Very high90.6Very high113 Ų11363.5 Ų63.549%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-79.8-33.1-175.3-173.6174.6-178.8175.70113.1L11 K18 L97 V105 A107L11-K13 PolarHBondContact O-N 2.93Å; K13-K18 WeakPolarHBondContact O-CE 3.29Å; K13-L97 HydrophobicContact CD-CD2 4.28Å; K13-V105 WeakPolarHBondContact CA-O 3.49Å; K13-V105 WeakPolarHBondContact CB-O 3.29Å; K13-V105 PolarHBondContact N-O 2.95Å; K13-A107 HydrophobicContact CB-CB 4.44Å; K13-A107 HydrophobicContact CD-CB 4.28Å
14K94.6Very high91.7Very high136 Ų13658.4 Ų58.459%0.59132%0.321SS*.EExtended strand (participates in β ladder)trans-139.9161.4170.8-65.2-172.9177.2-175.80109.3V12 T104 V105V12-K14 VanDerWaalsContact CG1-O 3.27Å; V12-K14 WeakPolarHBondContact CG1-O 3.29Å; K14-T104 VanDerWaalsContact O-CA 3.32Å; K14-T104 WeakPolarHBondContact O-CA 3.39Å; K14-T104 WeakPolarHBondContact O-CG2 3.46Å; K14-V105 HydrophobicContact CB-CB 4.11Å; K14-V105 HydrophobicContact CB-CG2 4.17Å; K14-V105 HydrophobicContact CD-CG2 4.32Å; K14-V105 PolarHBondContact N-O 2.78Å; K14-V105 VanDerWaalsContact N-O 3.14Å; K14-V105 PolarHBondContact O-N 2.95Å
15G93.3Very high92.3Very high20 Ų2058.9 Ų58.921%0.20633%0.325CS..SBendtrans115.6174.1-17700000112.7C17 K18 T104G15-C17 PolarHBondContact O-N 3.14Å; G15-K18 WeakPolarHBondContact O-CB 3.4Å; G15-K18 PolarHBondContact O-N 3.42Å; G15-T104 WeakPolarHBondContact CA-OG1 3.45Å
16P92.4Very high92.6Very high83 Ų8355.9 Ų55.954%0.53931%0.307SS..THydrogen-bonded Turntrans-62.3-39.8-177.8-25.136.9000113.2K18 D46P16-K18 VanDerWaalsContact C-N 3.26Å; P16-K18 PolarHBondContact O-N 3.04Å; P16-D46 HydrophobicContact CG-CB 4.4Å
17C91Very high92.2Very high40 Ų4058.4 Ų58.427%0.2734%0.337SS..THydrogen-bonded Turntrans-88.133.2177.1-64.20000113.6V12 G15 G19 N20 V44V12-C17 WeakPolarHBondContact CB-O 3.33Å; V12-C17 WeakPolarHBondContact CG1-O 3.38Å; G15-C17 PolarHBondContact O-N 3.14Å; C17-G19 PolarHBondContact O-N 3.37Å; C17-N20 HydrophobicContact CB-CB 4.4Å; C17-N20 VanDerWaalsContact O-CB 3.23Å; C17-N20 WeakPolarHBondContact O-CB 3.45Å; C17-N20 PolarHBondContact O-N 2.92Å; C17-N20 VanDerWaalsContact O-N 3.11Å; C17-V44 VanDerWaalsContact SG-C 3.57Å; C17-V44 PolarHBondContact SG-O 2.86Å; C17-V44 VanDerWaalsContact SG-O 3.37Å
18K92.2Very high91.7Very high156 Ų15660.3 Ų60.368%0.67835%0.349SS*.THydrogen-bonded Turntrans-53.3133.4179.5-178.9-175.6175-167.10111.9V12 K13 G15 P16 N20V12-K18 CarbonylContact O-C 3.48Å; V12-K18 WeakPolarHBondContact O-CA 3.31Å; K13-K18 WeakPolarHBondContact O-CE 3.29Å; G15-K18 WeakPolarHBondContact O-CB 3.4Å; G15-K18 PolarHBondContact O-N 3.42Å; P16-K18 VanDerWaalsContact C-N 3.26Å; P16-K18 PolarHBondContact O-N 3.04Å; K18-N20 VanDerWaalsContact C-N 3.35Å
19G92Very high91.3Very high47 Ų4767.5 Ų67.549%0.48538%0.383SS..THydrogen-bonded Turntrans92.1-14.7-177.900000114.1V12 C17 T21V12-G19 PolarHBondContact O-N 3.36Å; C17-G19 PolarHBondContact O-N 3.37Å; G19-T21 PolarHBondContact O-N 2.91Å; G19-T21 PolarHBondContact O-OG1 3.36Å
20N93.3Very high91.1Very high65 Ų6567.9 Ų67.935%0.34839%0.388SS..  trans-60.7136.7170.6-165.610.3000109.7V12 C17 K18 L42V12-N20 HydrophobicContact CB-CB 4.45Å; V12-N20 HydrophobicContact CG2-CB 3.96Å; V12-N20 WeakPolarHBondContact CG2-O 3.37Å; V12-N20 PolarHBondContact N-O 3.03Å; C17-N20 HydrophobicContact CB-CB 4.4Å; C17-N20 VanDerWaalsContact O-CB 3.23Å; C17-N20 WeakPolarHBondContact O-CB 3.45Å; C17-N20 PolarHBondContact O-N 2.92Å; C17-N20 VanDerWaalsContact O-N 3.11Å; K18-N20 VanDerWaalsContact C-N 3.35Å; N20-L42 WeakPolarHBondContact ND2-CD1 3.23Å
21T93.1Very high91Very high76 Ų7667.9 Ų67.947%0.46639%0.388SS..EExtended strand (participates in β ladder)trans-138.9133.7-172.9-530000109.5T9 L10 L11 G19T9-T21 HydrophobicContact CG2-CG2 3.69Å; L10-T21 WeakPolarHBondContact O-CA 3.33Å; L11-T21 VanDerWaalsContact CD1-OG1 3.23Å; L11-T21 WeakPolarHBondContact CD1-OG1 3.15Å; G19-T21 PolarHBondContact O-N 2.91Å; G19-T21 PolarHBondContact O-OG1 3.36Å
22L93.2Very high91Very high43 Ų4369.5 Ų69.523%0.22539%0.39CS..EExtended strand (participates in β ladder)trans-135.3138.5-178.1-17660.8000111T9 L10 L31 D41 L42T9-L22 CarbonylContact C-O 3.52Å; T9-L22 WeakPolarHBondContact CA-O 3.45Å; L10-L22 PolarHBondContact N-O 2.72Å; L10-L22 PolarHBondContact O-N 3.41Å; L22-L31 HydrophobicContact CD2-CD1 3.74Å; L22-L31 HydrophobicContact CD2-CD2 4.19Å; L22-L31 HydrophobicContact CD2-CG 4.17Å; L22-L31 HydrophobicContact CG-CD1 4.25Å; L22-D41 VanDerWaalsContact CD2-C 3.5Å; L22-D41 HydrophobicContact CD2-CB 3.74Å; L22-D41 WeakPolarHBondContact CD2-O 3.46Å; L22-L42 HydrophobicContact CB-CD1 4.2Å; L22-L42 HydrophobicContact CD2-CB 3.73Å; L22-L42 HydrophobicContact CD2-CD1 4.43Å
23Q93Very high91Very high125 Ų12569.4 Ų69.458%0.58439%0.389SS*.EExtended strand (participates in β ladder)trans-120.3140.5-176.2-164.7176.533.900110.6V7 L8V7-Q23 HydrophobicContact CG1-CG 3.41Å; V7-Q23 VanDerWaalsContact CG1-CG 3.41Å; L8-Q23 CarbonylContact O-C 3.53Å; L8-Q23 VanDerWaalsContact O-CA 3.29Å; L8-Q23 WeakPolarHBondContact O-CA 3.4Å; L8-Q23 WeakPolarHBondContact O-CG 3.34Å
24R92.3Very high91.1Very high41 Ų4164 Ų6416%0.15537%0.366CS..EExtended strand (participates in β ladder)trans-141.6130.8179.6-162.465.3153.8-147.4-3110.5L8 E29 L31 D41 W66L8-R24 PolarHBondContact N-O 3.1Å; L8-R24 PolarHBondContact O-N 3.3Å; R24-E29 PolarHBondContact NE-O 3.4Å; R24-E29 PolarHBondContact NH2-O 2.82Å; R24-L31 HydrophobicContact CB-CD1 4.09Å; R24-L31 HydrophobicContact CB-CD2 4.3Å; R24-L31 HydrophobicContact CG-CB 4.48Å; R24-L31 HydrophobicContact CG-CD1 4.02Å; R24-D41 IonicContact CZ-OD1 3.64Å; R24-D41 IonicContact NH1-OD1 2.97Å; R24-D41 PolarHBondContact NH1-OD1 2.87Å; R24-D41 IonicContact NH2-OD1 3.6Å; R24-W66 HydrophobicContact CB-CH2 3.97Å; R24-W66 HydrophobicContact CG-CH2 3.86Å; R24-W66 HydrophobicContact CG-CZ3 4.3Å; R24-W66 WeakPolarHBondContact O-CZ2 3.47Å
25C89.1Confident91.1Very high62 Ų6262.3 Ų62.342%0.41936%0.356SS..EExtended strand (participates in β ladder)trans-85.7143.1174.5-59.30000110.6T28C25-T28 WeakPolarHBondContact O-CB 3.39Å; C25-T28 PolarHBondContact O-N 2.84Å; C25-T28 PolarHBondContact O-OG1 2.77Å
26A85.3Confident91.2Very high15 Ų1564 Ų6412%0.12436%0.361CS..THydrogen-bonded Turntrans-57.7142.617300000111.6P5 P6 F58 W66P5-A26 HydrophobicContact CB-CB 3.96Å; P6-A26 HydrophobicContact CG-CB 3.88Å; P6-A26 VanDerWaalsContact O-CB 3.31Å; P6-A26 WeakPolarHBondContact O-CB 3.25Å; P6-A26 PolarHBondContact O-N 2.93Å; P6-A26 VanDerWaalsContact O-N 3.1Å; A26-F58 HydrophobicContact CB-CB 4.15Å; A26-F58 HydrophobicContact CB-CD1 3.57Å; A26-F58 HydrophobicContact CB-CD2 3.56Å; A26-F58 HydrophobicContact CB-CE1 3.74Å; A26-F58 HydrophobicContact CB-CE2 3.76Å; A26-F58 HydrophobicContact CB-CG 3.45Å; A26-F58 VanDerWaalsContact CB-CG 3.45Å; A26-F58 HydrophobicContact CB-CZ 3.82Å; A26-W66 HydrophobicContact CB-CZ2 4.03Å
27G79Confident91.2Very high74 Ų7463.1 Ų63.176%0.76336%0.362SS*.THydrogen-bonded Turntrans86.4-1.2-173.800000115.4
28T79.9Confident91.2Very high69 Ų6970.7 Ų70.742%0.42339%0.39SS..SBendtrans-86.7160.6167.9-33.10000110.4C25C25-T28 WeakPolarHBondContact O-CB 3.39Å; C25-T28 PolarHBondContact O-N 2.84Å; C25-T28 PolarHBondContact O-OG1 2.77Å
29E86.1Confident91.1Very high151 Ų15165.4 Ų65.471%0.70638%0.379SS*.PPolyproline II helixtrans-50.4154.7173.3-62.4179.2177.800113.3R24 L31R24-E29 PolarHBondContact NE-O 3.4Å; R24-E29 PolarHBondContact NH2-O 2.82Å; E29-L31 PolarHBondContact O-N 3.05Å
30A91.2Very high91.2Very high37 Ų3764 Ų6431%0.30636%0.361SS..PPolyproline II helixtrans-56.2130.3178.500000112.7E57A30-E57 HydrophobicContact CB-CB 3.91Å
31L94.1Very high91.2Very high0 Ų063.7 Ų63.70%036%0.359CS..EExtended strand (participates in β ladder)trans-81117.1-178.2-165.976.3000109.9L8 L10 L22 R24 E29 D41 S55 V56L8-L31 HydrophobicContact CD2-CD2 4.26Å; L10-L31 HydrophobicContact CD1-CD2 3.7Å; L10-L31 HydrophobicContact CG-CD2 4.39Å; L22-L31 HydrophobicContact CD2-CD1 3.74Å; L22-L31 HydrophobicContact CD2-CD2 4.19Å; L22-L31 HydrophobicContact CD2-CG 4.17Å; L22-L31 HydrophobicContact CG-CD1 4.25Å; R24-L31 HydrophobicContact CB-CD1 4.09Å; R24-L31 HydrophobicContact CB-CD2 4.3Å; R24-L31 HydrophobicContact CG-CB 4.48Å; R24-L31 HydrophobicContact CG-CD1 4.02Å; E29-L31 PolarHBondContact O-N 3.05Å; L31-D41 HydrophobicContact CD1-CB 3.59Å; L31-D41 HydrophobicContact CG-CB 4.2Å; L31-S55 CarbonylContact O-C 3.57Å; L31-S55 WeakPolarHBondContact O-CA 3.36Å; L31-V56 HydrophobicContact CB-CB 4.36Å; L31-V56 WeakPolarHBondContact CB-O 3.42Å; L31-V56 PolarHBondContact N-O 3.17Å; L31-V56 PolarHBondContact O-N 3.45Å
32R95.5Very high91.3Very high105 Ų10560.1 Ų60.140%0.39634%0.337SS..EExtended strand (participates in β ladder)trans-96.3136.3-178-72.3175.3-68.6-152.2-4.2112G39 N40 D41 L42R32-G39 PolarHBondContact NE-O 2.96Å; R32-N40 HydrophobicContact CB-CB 4.36Å; R32-D41 PolarHBondContact N-OD2 3.16Å; R32-D41 PolarHBondContact O-N 3.29Å; R32-L42 PolarHBondContact O-N 3.49Å
33V96Very high91.3Very high0 Ų059.8 Ų59.80%034%0.338CS..EExtended strand (participates in β ladder)trans-124.6136.5179.9-172.50000109.8L10 L42 V44 H53 L54 I100 L106L10-V33 HydrophobicContact CD1-CG2 4.31Å; V33-L42 WeakPolarHBondContact CA-O 3.34Å; V33-L42 HydrophobicContact CB-CB 4.42Å; V33-L42 HydrophobicContact CG1-CB 4.13Å; V33-L42 HydrophobicContact CG1-CD2 3.99Å; V33-L42 HydrophobicContact CG1-CG 4.22Å; V33-L42 HydrophobicContact CG2-CB 4.05Å; V33-L42 HydrophobicContact CG2-CD2 4.26Å; V33-V44 HydrophobicContact CG1-CG2 3.7Å; V33-H53 WeakPolarHBondContact O-CB 3.39Å; V33-H53 PolarHBondContact O-N 2.89Å; V33-L54 HydrophobicContact CB-CD1 3.64Å; V33-L54 HydrophobicContact CB-CG 4.07Å; V33-L54 HydrophobicContact CG2-CD1 3.54Å; V33-L54 HydrophobicContact CG2-CG 4.5Å; V33-L54 PolarHBondContact N-O 2.93Å; V33-L54 PolarHBondContact O-N 2.79Å; V33-I100 HydrophobicContact CG1-CD1 3.94Å; V33-L106 HydrophobicContact CG1-CD1 4.2Å
34G95.8Very high91.4Very high0 Ų053.8 Ų53.80%031%0.311CS..EExtended strand (participates in β ladder)trans-175.1-178.117700000114.3V36 L42 S43 V44 Q51G34-V36 VanDerWaalsContact C-N 3.33Å; G34-V36 PolarHBondContact O-N 3.44Å; G34-L42 PolarHBondContact N-O 3.04Å; G34-L42 VanDerWaalsContact N-O 3.15Å; G34-S43 WeakPolarHBondContact O-CA 3.45Å; G34-V44 PolarHBondContact O-N 3.45Å; G34-Q51 WeakPolarHBondContact CA-O 3.48Å
35R95.6Very high91.4Very high100 Ų10053.8 Ų53.838%0.37732%0.323SS..SBendtrans-63.1-36.8-176.4-175.1169.671.5-159.64.2113.4G45 D46 A47 A49 S50 Q51R35-G45 PolarHBondContact O-N 3.02Å; R35-D46 WeakPolarHBondContact CD-O 3.46Å; R35-D46 VanDerWaalsContact CG-O 3.29Å; R35-D46 WeakPolarHBondContact CG-O 3.3Å; R35-A47 PolarHBondContact NH1-O 2.96Å; R35-A49 HydrophobicContact CB-CB 4.1Å; R35-A49 VanDerWaalsContact CB-O 3.29Å; R35-A49 WeakPolarHBondContact CB-O 3.36Å; R35-A49 VanDerWaalsContact CD-O 3.3Å; R35-A49 WeakPolarHBondContact CD-O 3.27Å; R35-A49 PolarHBondContact NH1-O 2.79Å; R35-S50 PolarHBondContact N-O 3.24Å; R35-Q51 PolarHBondContact N-O 3.5Å
36V94.2Very high91.7Very high54 Ų5451 Ų5133%0.32730%0.304SS..  trans-107.9144.8-169.3-168.40000110.6G34 K38 N40 Q51G34-V36 VanDerWaalsContact C-N 3.33Å; G34-V36 PolarHBondContact O-N 3.44Å; V36-K38 HydrophobicContact CG1-CB 4.23Å; V36-N40 PolarHBondContact O-ND2 3.19Å; V36-Q51 HydrophobicContact CG2-CB 4.3Å; V36-Q51 HydrophobicContact CG2-CG 4.15Å
37A92.4Very high92.1Very high66 Ų6653.7 Ų53.755%0.54533%0.326SS..SBendtrans-76.8-20.2177.900000114.4G39A37-G39 PolarHBondContact O-N 2.9Å
38K92.4Very high92.8Very high199 Ų19950.5 Ų50.587%0.86529%0.293SS*.THydrogen-bonded Turntrans-71.597.8-179.1-171.3-174.6179.3-171.40110.4V36V36-K38 HydrophobicContact CG1-CB 4.23Å
39G89.9Confident93.5Very high44 Ų4447.2 Ų47.245%0.45427%0.274SS..THydrogen-bonded Turntrans93.38175.600000115.7R32 A37R32-G39 PolarHBondContact NE-O 2.96Å; A37-G39 PolarHBondContact O-N 2.9Å
40N93.8Very high94Very high17 Ų1740.8 Ų40.89%0.09125%0.245CC..  trans-117.8145.7170.2-62.7-47.7000109.5R32 V36 Q51R32-N40 HydrophobicContact CB-CB 4.36Å; V36-N40 PolarHBondContact O-ND2 3.19Å; N40-Q51 PolarHBondContact ND2-O 3.25Å
41D93.6Very high94.1Very high59 Ų5945 Ų4532%0.31626%0.258SS..SBendtrans-75.5-33.2174.9-49.8-112.4000111.2L22 R24 L31 R32L22-D41 VanDerWaalsContact CD2-C 3.5Å; L22-D41 HydrophobicContact CD2-CB 3.74Å; L22-D41 WeakPolarHBondContact CD2-O 3.46Å; R24-D41 IonicContact CZ-OD1 3.64Å; R24-D41 IonicContact NH1-OD1 2.97Å; R24-D41 PolarHBondContact NH1-OD1 2.87Å; R24-D41 IonicContact NH2-OD1 3.6Å; L31-D41 HydrophobicContact CD1-CB 3.59Å; L31-D41 HydrophobicContact CG-CB 4.2Å; R32-D41 PolarHBondContact N-OD2 3.16Å; R32-D41 PolarHBondContact O-N 3.29Å
42L94Very high94.2Very high1 Ų153.1 Ų53.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-118.2114.3175-172.762.4000111.7L10 V12 N20 L22 R32 V33 G34 V44 L106L10-L42 HydrophobicContact CB-CD2 4.38Å; L10-L42 HydrophobicContact CD1-CD2 4.44Å; V12-L42 HydrophobicContact CG2-CD1 4.36Å; V12-L42 HydrophobicContact CG2-CD2 4.41Å; N20-L42 WeakPolarHBondContact ND2-CD1 3.23Å; L22-L42 HydrophobicContact CB-CD1 4.2Å; L22-L42 HydrophobicContact CD2-CB 3.73Å; L22-L42 HydrophobicContact CD2-CD1 4.43Å; R32-L42 PolarHBondContact O-N 3.49Å; V33-L42 WeakPolarHBondContact CA-O 3.34Å; V33-L42 HydrophobicContact CB-CB 4.42Å; V33-L42 HydrophobicContact CG1-CB 4.13Å; V33-L42 HydrophobicContact CG1-CD2 3.99Å; V33-L42 HydrophobicContact CG1-CG 4.22Å; V33-L42 HydrophobicContact CG2-CB 4.05Å; V33-L42 HydrophobicContact CG2-CD2 4.26Å; G34-L42 PolarHBondContact N-O 3.04Å; G34-L42 VanDerWaalsContact N-O 3.15Å; L42-V44 HydrophobicContact CG-CG2 4.46Å; L42-L106 HydrophobicContact CD2-CD1 4.33Å; L42-L106 HydrophobicContact CD2-CD2 4.15Å
43S95Very high94.2Very high36 Ų3648.1 Ų48.125%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-89136.2168.955.50000111.8G34G34-S43 WeakPolarHBondContact O-CA 3.45Å
44V94.3Very high94.2Very high0 Ų048.1 Ų48.10%027%0.27CS..  trans-113.9-28-170.2162.30000113.4C17 V33 G34 L42 D46 I100 T104C17-V44 VanDerWaalsContact SG-C 3.57Å; C17-V44 PolarHBondContact SG-O 2.86Å; C17-V44 VanDerWaalsContact SG-O 3.37Å; V33-V44 HydrophobicContact CG1-CG2 3.7Å; G34-V44 PolarHBondContact O-N 3.45Å; L42-V44 HydrophobicContact CG-CG2 4.46Å; V44-D46 HydrophobicContact CG1-CB 3.71Å; V44-D46 PolarHBondContact O-N 3.33Å; V44-I100 HydrophobicContact CB-CD1 4.42Å; V44-I100 HydrophobicContact CG1-CD1 4.06Å; V44-I100 HydrophobicContact CG1-CG1 4.5Å; V44-I100 HydrophobicContact CG2-CD1 3.73Å; V44-T104 HydrophobicContact CG1-CG2 3.61Å; V44-T104 WeakPolarHBondContact CG1-OG1 3.5Å
45G92.9Very high94.2Very high40 Ų4048.8 Ų48.841%0.41228%0.275SS..  trans69.7-8.8176.900000116.8R35 A47R35-G45 PolarHBondContact O-N 3.02Å; G45-A47 PolarHBondContact O-N 2.94Å
46D94.3Very high94.2Very high3 Ų344 Ų442%0.01626%0.257CS..  trans-65.1127.7178.8-162.7-48.6000111.7P16 R35 V44 G48 A49 E102 T103 T104P16-D46 HydrophobicContact CG-CB 4.4Å; R35-D46 WeakPolarHBondContact CD-O 3.46Å; R35-D46 VanDerWaalsContact CG-O 3.29Å; R35-D46 WeakPolarHBondContact CG-O 3.3Å; V44-D46 HydrophobicContact CG1-CB 3.71Å; V44-D46 PolarHBondContact O-N 3.33Å; D46-G48 VanDerWaalsContact C-N 3.28Å; D46-G48 PolarHBondContact O-N 3.08Å; D46-G48 PolarHBondContact OD1-N 2.77Å; D46-A49 HydrophobicContact CB-CB 4.12Å; D46-A49 WeakPolarHBondContact O-CB 3.23Å; D46-A49 PolarHBondContact O-N 2.96Å; D46-A49 VanDerWaalsContact O-N 3.08Å; D46-E102 PolarHBondContact OD1-N 3.17Å; D46-T103 WeakPolarHBondContact OD2-CA 3.46Å; D46-T103 PolarHBondContact OD2-N 2.96Å; D46-T103 PolarHBondContact OD2-OG1 2.96Å; D46-T104 WeakPolarHBondContact CB-OG1 3.44Å; D46-T104 PolarHBondContact OD2-N 3.36Å; D46-T104 PolarHBondContact OD2-OG1 3.5Å
47A94.1Very high94.2Very high72 Ų7244.4 Ų44.460%0.59526%0.255SS*.THydrogen-bonded Turntrans-59-41.3-178.800000111.7R35 G45 A49R35-A47 PolarHBondContact NH1-O 2.96Å; G45-A47 PolarHBondContact O-N 2.94Å; A47-A49 PolarHBondContact O-N 3.06Å
48G93.5Very high94.2Very high7 Ų743.2 Ų43.27%0.07224%0.238CC..THydrogen-bonded Turntrans-75.50178.700000114.6D46 N75 G101 E102D46-G48 VanDerWaalsContact C-N 3.28Å; D46-G48 PolarHBondContact O-N 3.08Å; D46-G48 PolarHBondContact OD1-N 2.77Å; G48-N75 PolarHBondContact O-ND2 3.41Å; G48-G101 VanDerWaalsContact O-CA 3.27Å; G48-G101 WeakPolarHBondContact O-CA 3.36Å; G48-E102 VanDerWaalsContact CA-OE1 3.31Å; G48-E102 WeakPolarHBondContact CA-OE1 3.42Å; G48-E102 PolarHBondContact N-OE1 2.97Å
49A95.6Very high94.1Very high1 Ų136.1 Ų36.11%0.00821%0.209CC..SBendtrans-88.9132.6171.400000111.5R35 D46 A47R35-A49 HydrophobicContact CB-CB 4.1Å; R35-A49 VanDerWaalsContact CB-O 3.29Å; R35-A49 WeakPolarHBondContact CB-O 3.36Å; R35-A49 VanDerWaalsContact CD-O 3.3Å; R35-A49 WeakPolarHBondContact CD-O 3.27Å; R35-A49 PolarHBondContact NH1-O 2.79Å; D46-A49 HydrophobicContact CB-CB 4.12Å; D46-A49 WeakPolarHBondContact O-CB 3.23Å; D46-A49 PolarHBondContact O-N 2.96Å; D46-A49 VanDerWaalsContact O-N 3.08Å; A47-A49 PolarHBondContact O-N 3.06Å
50S95.3Very high93.8Very high16 Ų1638.3 Ų38.311%0.11222%0.215CC..  trans-59.4157.2166.4-51.70000112.6R35 R52 H53 S74R35-S50 PolarHBondContact N-O 3.24Å; S50-R52 WeakPolarHBondContact CB-O 3.28Å; S50-R52 PolarHBondContact O-N 2.85Å; S50-H53 PolarHBondContact N-ND1 2.87Å; S50-S74 PolarHBondContact OG-N 3.14Å; S50-S74 PolarHBondContact OG-OG 3.06Å
51Q94.6Very high93.3Very high125 Ų12542.5 Ų42.558%0.58424%0.243SC*.SBendtrans-61-45.7-174.7-62.2-163.253.900112.4G34 R35 V36 N40G34-Q51 WeakPolarHBondContact CA-O 3.48Å; R35-Q51 PolarHBondContact N-O 3.5Å; V36-Q51 HydrophobicContact CG2-CB 4.3Å; V36-Q51 HydrophobicContact CG2-CG 4.15Å; N40-Q51 PolarHBondContact ND2-O 3.25Å
52R95Very high92.7Very high170 Ų17046.4 Ų46.464%0.64227%0.272SS*.SBendtrans-107.3130.6157.5-59.6173-175.4164.32105S50 L71S50-R52 WeakPolarHBondContact CB-O 3.28Å; S50-R52 PolarHBondContact O-N 2.85Å; R52-L71 HydrophobicContact CB-CD1 4.3Å
53H95.2Very high92.1Very high0 Ų047.8 Ų47.80%028%0.284CS..  trans-117.8-53-172.9-160.1102.7000111.3V33 S50 L71 S73 T77 I100V33-H53 WeakPolarHBondContact O-CB 3.39Å; V33-H53 PolarHBondContact O-N 2.89Å; S50-H53 PolarHBondContact N-ND1 2.87Å; H53-L71 PolarHBondContact O-N 2.91Å; H53-S73 PolarHBondContact NE2-OG 2.88Å; H53-T77 PolarHBondContact CD2-OG1 2.93Å; H53-I100 VanDerWaalsContact CD2-CG2 3.4Å; H53-I100 WeakPolarHBondContact CD2-CG2 3.32Å; H53-I100 WeakPolarHBondContact NE2-CB 3.49Å; H53-I100 WeakPolarHBondContact NE2-CG2 3.5Å
54L96.3Very high91.7Very high0 Ų048.6 Ų48.60%029%0.292CS..EExtended strand (participates in β ladder)trans-146.1160.6176.560.580.3000110.9V33 V56 V68 T69 T77 I98 I100V33-L54 HydrophobicContact CB-CD1 3.64Å; V33-L54 HydrophobicContact CB-CG 4.07Å; V33-L54 HydrophobicContact CG2-CD1 3.54Å; V33-L54 HydrophobicContact CG2-CG 4.5Å; V33-L54 PolarHBondContact N-O 2.93Å; V33-L54 PolarHBondContact O-N 2.79Å; L54-V56 HydrophobicContact CD1-CG2 3.63Å; L54-V68 HydrophobicContact CB-CG2 4.28Å; L54-V68 HydrophobicContact CD1-CG2 4.14Å; L54-V68 HydrophobicContact CD2-CG2 3.98Å; L54-V68 HydrophobicContact CG-CG2 4.38Å; L54-T69 CarbonylContact C-O 3.5Å; L54-T69 VanDerWaalsContact CA-O 3.3Å; L54-T69 WeakPolarHBondContact CA-O 3.39Å; L54-T69 WeakPolarHBondContact CB-O 3.39Å; L54-T77 HydrophobicContact CD2-CG2 3.68Å; L54-I98 HydrophobicContact CD2-CG2 3.84Å; L54-I100 HydrophobicContact CD2-CG2 3.58Å
55S95.5Very high91.5Very high14 Ų1454.1 Ų54.110%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-115.2147.2164.452.80000110.2L31 V68 T69L31-S55 CarbonylContact O-C 3.57Å; L31-S55 WeakPolarHBondContact O-CA 3.36Å; S55-V68 WeakPolarHBondContact O-CA 3.48Å; S55-T69 PolarHBondContact N-O 3.11Å; S55-T69 PolarHBondContact O-N 3.41Å
56V95.7Very high91.6Very high0 Ų052.4 Ų52.40%029%0.294CS..EExtended strand (participates in β ladder)trans-121.6119.1171.6-172.10000108.8L8 L10 L31 L54 W66 T67 V68 L92L8-V56 HydrophobicContact CD2-CB 4.3Å; L8-V56 HydrophobicContact CD2-CG1 3.53Å; L10-V56 HydrophobicContact CD1-CG2 4.42Å; L31-V56 HydrophobicContact CB-CB 4.36Å; L31-V56 WeakPolarHBondContact CB-O 3.42Å; L31-V56 PolarHBondContact N-O 3.17Å; L31-V56 PolarHBondContact O-N 3.45Å; L54-V56 HydrophobicContact CD1-CG2 3.63Å; V56-W66 HydrophobicContact CG1-CE3 4.09Å; V56-T67 CarbonylContact C-O 3.56Å; V56-T67 VanDerWaalsContact CA-O 3.29Å; V56-T67 WeakPolarHBondContact CA-O 3.19Å; V56-T67 WeakPolarHBondContact CG1-O 3.4Å; V56-V68 HydrophobicContact CG2-CB 4.35Å; V56-V68 HydrophobicContact CG2-CG2 4.26Å; V56-L92 HydrophobicContact CG1-CD1 3.55Å; V56-L92 HydrophobicContact CG2-CD1 4.45Å
57E94.1Very high91.6Very high62 Ų6252.3 Ų52.329%0.2929%0.294SS..EExtended strand (participates in β ladder)trans-123164.8-175.170.2-167.516100110.9A30 W66 T67A30-E57 HydrophobicContact CB-CB 3.91Å; E57-W66 CarbonylContact O-C 3.56Å; E57-W66 WeakPolarHBondContact O-CA 3.43Å; E57-W66 VanDerWaalsContact O-CE3 3.28Å; E57-T67 WeakPolarHBondContact CG-OG1 3.42Å; E57-T67 PolarHBondContact N-O 2.77Å; E57-T67 PolarHBondContact O-N 2.85Å
58F93.4Very high91.7Very high42 Ų4248.9 Ų48.918%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-109.3113.2173.3-177.1-98.1000109.6P6 A26 A64 W66P6-F58 HydrophobicContact CG-CD2 4.15Å; P6-F58 HydrophobicContact CG-CE2 3.33Å; P6-F58 HydrophobicContact CG-CZ 3.77Å; A26-F58 HydrophobicContact CB-CB 4.15Å; A26-F58 HydrophobicContact CB-CD1 3.57Å; A26-F58 HydrophobicContact CB-CD2 3.56Å; A26-F58 HydrophobicContact CB-CE1 3.74Å; A26-F58 HydrophobicContact CB-CE2 3.76Å; A26-F58 HydrophobicContact CB-CG 3.45Å; A26-F58 VanDerWaalsContact CB-CG 3.45Å; A26-F58 HydrophobicContact CB-CZ 3.82Å; F58-A64 WeakPolarHBondContact CE2-O 3.4Å; F58-A64 HydrophobicContact CZ-CB 4.24Å; F58-A64 WeakPolarHBondContact CZ-O 3.37Å; F58-W66 HydrophobicContact CB-CD2 4.12Å; F58-W66 HydrophobicContact CB-CE3 3.9Å; F58-W66 HydrophobicContact CB-CH2 4.12Å; F58-W66 HydrophobicContact CB-CZ2 4.32Å; F58-W66 HydrophobicContact CB-CZ3 3.9Å; F58-W66 AromaticContact CD2-CD1 3.95Å; F58-W66 AromaticContact CD2-CD2 3.92Å; F58-W66 HydrophobicContact CD2-CD2 3.92Å; F58-W66 AromaticContact CD2-CE2 3.81Å; F58-W66 HydrophobicContact CD2-CG 4.03Å; F58-W66 HydrophobicContact CD2-CZ2 4.38Å; F58-W66 AromaticContact CD2-NE1 3.81Å
59L89.9Confident91.9Very high49 Ų4949.2 Ų49.226%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-68.5132.8176-68.3-178.1000110.3A63 A64 R65 T67L59-A63 HydrophobicContact CB-CB 3.85Å; L59-A63 HydrophobicContact CD1-CB 4Å; L59-A64 VanDerWaalsContact O-CA 3.3Å; L59-A64 WeakPolarHBondContact O-CA 3.42Å; L59-A64 PolarHBondContact O-N 3.35Å; L59-R65 PolarHBondContact N-O 2.91Å; L59-R65 PolarHBondContact O-N 3.4Å; L59-T67 HydrophobicContact CD1-CG2 3.6Å; L59-T67 HydrophobicContact CG-CG2 3.9Å
60P84.9Confident91.9Very high90 Ų9049.2 Ų49.258%0.58427%0.266SS*.PPolyproline II helixtrans-63.6168.2175.927.6-35000112.1A63 A64P60-A63 PolarHBondContact O-N 2.91Å; P60-A64 PolarHBondContact O-N 3.09Å; P60-A64 VanDerWaalsContact O-N 3.14Å
61P82.8Confident91.9Very high105 Ų10552.1 Ų52.168%0.68228%0.28SS*.THydrogen-bonded Turntrans-52.2142.4166.8-25.135.4000111.3
62P81.3Confident91.8Very high142 Ų14248.4 Ų48.492%0.92228%0.275SS*.THydrogen-bonded Turncis-83.4-5.61134-37.5000115.1
63A80.7Confident91.8Very high30 Ų3040.9 Ų40.925%0.24825%0.249CC..THydrogen-bonded Turntrans-77.1-38.8-175.600000113.2L59 P60 R65L59-A63 HydrophobicContact CB-CB 3.85Å; L59-A63 HydrophobicContact CD1-CB 4Å; P60-A63 PolarHBondContact O-N 2.91Å; A63-R65 HydrophobicContact CB-CG 4.49Å; A63-R65 WeakPolarHBondContact O-CB 3.46Å; A63-R65 WeakPolarHBondContact O-CG 3.41Å; A63-R65 PolarHBondContact O-N 3.05Å
64A86.6Confident91.8Very high52 Ų5245.9 Ų45.943%0.4328%0.284SS..  trans45.240.3169.700000115.2F58 L59 P60F58-A64 WeakPolarHBondContact CE2-O 3.4Å; F58-A64 HydrophobicContact CZ-CB 4.24Å; F58-A64 WeakPolarHBondContact CZ-O 3.37Å; L59-A64 VanDerWaalsContact O-CA 3.3Å; L59-A64 WeakPolarHBondContact O-CA 3.42Å; L59-A64 PolarHBondContact O-N 3.35Å; P60-A64 PolarHBondContact O-N 3.09Å; P60-A64 VanDerWaalsContact O-N 3.14Å
65R90.5Very high91.7Very high116 Ų11650.7 Ų50.744%0.43831%0.31SS..EExtended strand (participates in β ladder)trans-140.8158.4-173.667-179.8177.5-105.22.8111.8L59 A63L59-R65 PolarHBondContact N-O 2.91Å; L59-R65 PolarHBondContact O-N 3.4Å; A63-R65 HydrophobicContact CB-CG 4.49Å; A63-R65 WeakPolarHBondContact O-CB 3.46Å; A63-R65 WeakPolarHBondContact O-CG 3.41Å; A63-R65 PolarHBondContact O-N 3.05Å
66W94.3Very high91.6Very high4 Ų451.3 Ų51.32%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-74.4142.3171.2-66.795.1000111P6 L8 R24 A26 V56 E57 F58 L92 I110P6-W66 WeakPolarHBondContact O-CZ2 3.47Å; P6-W66 PolarHBondContact O-NE1 3.5Å; L8-W66 HydrophobicContact CB-CD2 3.81Å; L8-W66 VanDerWaalsContact CB-CE2 3.49Å; L8-W66 HydrophobicContact CB-CE3 4.21Å; L8-W66 HydrophobicContact CB-CG 4.36Å; L8-W66 HydrophobicContact CB-CH2 4.04Å; L8-W66 HydrophobicContact CB-CZ2 3.6Å; L8-W66 HydrophobicContact CB-CZ3 4.32Å; L8-W66 HydrophobicContact CD2-CD2 4.03Å; L8-W66 HydrophobicContact CD2-CE3 3.74Å; L8-W66 HydrophobicContact CD2-CH2 4.46Å; L8-W66 HydrophobicContact CD2-CZ3 3.97Å; L8-W66 HydrophobicContact CG-CD2 4.42Å; R24-W66 HydrophobicContact CB-CH2 3.97Å; R24-W66 HydrophobicContact CG-CH2 3.86Å; R24-W66 HydrophobicContact CG-CZ3 4.3Å; R24-W66 WeakPolarHBondContact O-CZ2 3.47Å; A26-W66 HydrophobicContact CB-CZ2 4.03Å; V56-W66 HydrophobicContact CG1-CE3 4.09Å; E57-W66 CarbonylContact O-C 3.56Å; E57-W66 WeakPolarHBondContact O-CA 3.43Å; E57-W66 VanDerWaalsContact O-CE3 3.28Å; F58-W66 HydrophobicContact CB-CD2 4.12Å; F58-W66 HydrophobicContact CB-CE3 3.9Å; F58-W66 HydrophobicContact CB-CH2 4.12Å; F58-W66 HydrophobicContact CB-CZ2 4.32Å; F58-W66 HydrophobicContact CB-CZ3 3.9Å; F58-W66 AromaticContact CD2-CD1 3.95Å; F58-W66 AromaticContact CD2-CD2 3.92Å; F58-W66 HydrophobicContact CD2-CD2 3.92Å; F58-W66 AromaticContact CD2-CE2 3.81Å; F58-W66 HydrophobicContact CD2-CG 4.03Å; F58-W66 HydrophobicContact CD2-CZ2 4.38Å; F58-W66 AromaticContact CD2-NE1 3.81Å; W66-L92 HydrophobicContact CB-CB 4.14Å; W66-L92 PolarHBondContact O-N 3.42Å; W66-I110 HydrophobicContact CB-CD1 4.22Å; W66-I110 HydrophobicContact CG-CD1 4.38Å
67T95Very high91.6Very high2 Ų251.3 Ų51.31%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-130.6143.6173.140.30000110.8V56 E57 L59 P89 A90V56-T67 CarbonylContact C-O 3.56Å; V56-T67 VanDerWaalsContact CA-O 3.29Å; V56-T67 WeakPolarHBondContact CA-O 3.19Å; V56-T67 WeakPolarHBondContact CG1-O 3.4Å; E57-T67 WeakPolarHBondContact CG-OG1 3.42Å; E57-T67 PolarHBondContact N-O 2.77Å; E57-T67 PolarHBondContact O-N 2.85Å; L59-T67 HydrophobicContact CD1-CG2 3.6Å; L59-T67 HydrophobicContact CG-CG2 3.9Å; T67-P89 HydrophobicContact CG2-CB 4.27Å; T67-A90 CarbonylContact C-O 3.55Å; T67-A90 WeakPolarHBondContact CA-O 3.42Å; T67-A90 WeakPolarHBondContact CB-O 3.33Å
68V96.2Very high91.7Very high0 Ų051.2 Ų51.20%032%0.319CS..EExtended strand (participates in β ladder)trans-106.8133.3171.556.30000109.7L54 S55 V56 L79 L84 A90 L92 I98L54-V68 HydrophobicContact CB-CG2 4.28Å; L54-V68 HydrophobicContact CD1-CG2 4.14Å; L54-V68 HydrophobicContact CD2-CG2 3.98Å; L54-V68 HydrophobicContact CG-CG2 4.38Å; S55-V68 WeakPolarHBondContact O-CA 3.48Å; V56-V68 HydrophobicContact CG2-CB 4.35Å; V56-V68 HydrophobicContact CG2-CG2 4.26Å; V68-L79 HydrophobicContact CG1-CD2 4.36Å; V68-L84 HydrophobicContact CG1-CD1 3.63Å; V68-L84 HydrophobicContact CG2-CD1 4.1Å; V68-A90 HydrophobicContact CG1-CB 4.2Å; V68-A90 PolarHBondContact N-O 3.26Å; V68-A90 PolarHBondContact O-N 3.14Å; V68-L92 HydrophobicContact CB-CD1 4.1Å; V68-L92 HydrophobicContact CB-CD2 4Å; V68-L92 HydrophobicContact CB-CG 3.98Å; V68-L92 HydrophobicContact CG1-CD1 4.47Å; V68-L92 HydrophobicContact CG1-CD2 3.49Å; V68-L92 VanDerWaalsContact CG1-CD2 3.49Å; V68-L92 HydrophobicContact CG1-CG 3.84Å; V68-I98 HydrophobicContact CG2-CD1 4.49Å
69T96.4Very high91.8Very high13 Ų1350.1 Ų50.18%0.0832%0.315CS..EExtended strand (participates in β ladder)trans-126.1116.2178.3-50.50000108.1L54 S55 L71 P89L54-T69 CarbonylContact C-O 3.5Å; L54-T69 VanDerWaalsContact CA-O 3.3Å; L54-T69 WeakPolarHBondContact CA-O 3.39Å; L54-T69 WeakPolarHBondContact CB-O 3.39Å; S55-T69 PolarHBondContact N-O 3.11Å; S55-T69 PolarHBondContact O-N 3.41Å; T69-L71 PolarHBondContact O-N 2.81Å; T69-P89 HydrophobicContact CG2-CG 4.38Å; T69-P89 WeakPolarHBondContact OG1-CA 3.35Å; T69-P89 WeakPolarHBondContact OG1-CB 3.49Å; T69-P89 WeakPolarHBondContact OG1-CG 3.4Å
70D96.6Very high92.1Very high2 Ų251.6 Ų51.61%0.01132%0.323CS..EExtended strand (participates in β ladder)trans-71.1125.2173.2-176.5-26.7000109.1G72 S73 G76 T77 T87D70-G72 PolarHBondContact O-N 2.82Å; D70-G72 VanDerWaalsContact O-N 3.16Å; D70-G72 PolarHBondContact OD1-N 2.95Å; D70-S73 VanDerWaalsContact CG-OG 3.24Å; D70-S73 VanDerWaalsContact OD1-CB 3.26Å; D70-S73 WeakPolarHBondContact OD1-CB 3.5Å; D70-S73 PolarHBondContact OD1-N 2.86Å; D70-S73 PolarHBondContact OD1-OG 2.8Å; D70-S73 PolarHBondContact OD2-OG 2.74Å; D70-G76 WeakPolarHBondContact OD2-CA 3.49Å; D70-T77 VanDerWaalsContact OD2-CB 3.27Å; D70-T77 WeakPolarHBondContact OD2-CB 3.44Å; D70-T77 PolarHBondContact OD2-N 3.15Å; D70-T77 PolarHBondContact OD2-OG1 3.3Å; D70-T87 PolarHBondContact O-N 3.01Å
71L95.7Very high92.4Very high76 Ų7651.6 Ų51.640%0.39833%0.331SS..  trans-87.129.7-171.5-65.5173.2000112.9R52 H53 T69R52-L71 HydrophobicContact CB-CD1 4.3Å; H53-L71 PolarHBondContact O-N 2.91Å; T69-L71 PolarHBondContact O-N 2.81Å
72G92.8Very high93Very high48 Ų4850.9 Ų50.950%0.49533%0.325SS..SBendtrans7938.3-173.700000112.5D70D70-G72 PolarHBondContact O-N 2.82Å; D70-G72 VanDerWaalsContact O-N 3.16Å; D70-G72 PolarHBondContact OD1-N 2.95Å
73S94.6Very high93.6Very high12 Ų1248.5 Ų48.58%0.08431%0.309CS..  trans-64.8140.4-17869.30000112.8H53 D70 N75 G76H53-S73 PolarHBondContact NE2-OG 2.88Å; D70-S73 VanDerWaalsContact CG-OG 3.24Å; D70-S73 VanDerWaalsContact OD1-CB 3.26Å; D70-S73 WeakPolarHBondContact OD1-CB 3.5Å; D70-S73 PolarHBondContact OD1-N 2.86Å; D70-S73 PolarHBondContact OD1-OG 2.8Å; D70-S73 PolarHBondContact OD2-OG 2.74Å; S73-N75 PolarHBondContact O-N 3.5Å; S73-N75 VanDerWaalsContact O-N 3.16Å; S73-G76 PolarHBondContact O-N 2.96Å; S73-G76 VanDerWaalsContact O-N 3.08Å; S73-G76 WeakPolarHBondContact OG-CA 3.29Å; S73-G76 PolarHBondContact OG-N 2.87Å
74S94.2Very high94.3Very high105 Ų10548.4 Ų48.473%0.73431%0.305SS*.THydrogen-bonded Turntrans-66.7-21.6-167.9-430000114.3S50S50-S74 PolarHBondContact OG-N 3.14Å; S50-S74 PolarHBondContact OG-OG 3.06Å
75N93.9Very high94.7Very high101 Ų10150.4 Ų50.454%0.5431%0.311SS..THydrogen-bonded Turntrans-112.4-3176.7-80.9-36000112.8G48 S73G48-N75 PolarHBondContact O-ND2 3.41Å; S73-N75 PolarHBondContact O-N 3.5Å; S73-N75 VanDerWaalsContact O-N 3.16Å
76G94Very high94.8Very high26 Ų2647.1 Ų47.127%0.26831%0.308SS..  trans69.7160.2-170.500000114.8D70 S73D70-G76 WeakPolarHBondContact OD2-CA 3.49Å; S73-G76 PolarHBondContact O-N 2.96Å; S73-G76 VanDerWaalsContact O-N 3.08Å; S73-G76 WeakPolarHBondContact OG-CA 3.29Å; S73-G76 PolarHBondContact OG-N 2.87Å
77T96.4Very high94.7Very high1 Ų152.1 Ų52.11%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-99.7136.8171.3-580000110.4H53 L54 D70 L84 I98 I100H53-T77 PolarHBondContact CD2-OG1 2.93Å; L54-T77 HydrophobicContact CD2-CG2 3.68Å; D70-T77 VanDerWaalsContact OD2-CB 3.27Å; D70-T77 WeakPolarHBondContact OD2-CB 3.44Å; D70-T77 PolarHBondContact OD2-N 3.15Å; D70-T77 PolarHBondContact OD2-OG1 3.3Å; T77-L84 HydrophobicContact CG2-CD1 3.74Å; T77-L84 HydrophobicContact CG2-CG 4.37Å; T77-L84 PolarHBondContact O-N 2.81Å; T77-I98 HydrophobicContact CG2-CG2 3.42Å; T77-I98 VanDerWaalsContact CG2-CG2 3.42Å; T77-I100 HydrophobicContact CG2-CG2 3.99Å
78L96.1Very high94.7Very high60 Ų6056.9 Ų56.931%0.31436%0.364SS..EExtended strand (participates in β ladder)trans-111.9120.8173-49.3177.7000110.5T82 P83 I98 K99L78-T82 CarbonylContact C-O 3.6Å; L78-T82 WeakPolarHBondContact CA-O 3.41Å; L78-P83 HydrophobicContact CD2-CB 3.74Å; L78-I98 CarbonylContact O-C 3.59Å; L78-I98 WeakPolarHBondContact O-CA 3.41Å; L78-K99 HydrophobicContact CB-CB 4.24Å; L78-K99 HydrophobicContact CD1-CD 4.26Å; L78-K99 PolarHBondContact N-O 3.02Å; L78-K99 PolarHBondContact O-N 3.27Å
79L96Very high94.6Very high19 Ų1959.9 Ų59.910%0.09938%0.384CS..EExtended strand (participates in β ladder)trans-101.4119.8172.8179.665.3000109.3V68 A81 T82 L84 L92 D96 I98V68-L79 HydrophobicContact CG1-CD2 4.36Å; L79-A81 PolarHBondContact O-N 2.91Å; L79-T82 PolarHBondContact N-O 2.85Å; L79-T82 WeakPolarHBondContact O-CA 3.17Å; L79-T82 WeakPolarHBondContact O-CB 3.45Å; L79-T82 PolarHBondContact O-N 3.21Å; L79-L84 HydrophobicContact CB-CD1 4.21Å; L79-L84 HydrophobicContact CB-CD2 3.63Å; L79-L84 HydrophobicContact CB-CG 3.92Å; L79-L84 HydrophobicContact CD2-CD2 3.99Å; L79-L84 HydrophobicContact CG-CD2 4.48Å; L79-L92 HydrophobicContact CD1-CD2 3.61Å; L79-L92 HydrophobicContact CD2-CD2 4.24Å; L79-D96 HydrophobicContact CD1-CB 3.92Å; L79-I98 HydrophobicContact CD1-CG1 3.93Å
80N94.4Very high94.5Very high79 Ų7960.1 Ų60.142%0.42239%0.387SS..THydrogen-bonded Turntrans49.544.4-177.5-63.4-26000112.8T82 D96 L97N80-T82 PolarHBondContact O-N 3.05Å; N80-T82 VanDerWaalsContact O-N 3.13Å; N80-D96 PolarHBondContact ND2-OD1 3.44Å; N80-L97 PolarHBondContact N-O 3.43Å; N80-L97 PolarHBondContact OD1-N 3.37Å
81A91.6Very high94.4Very high91 Ų9163.4 Ų63.475%0.75241%0.408SS*.THydrogen-bonded Turntrans62.52-17300000116.7L79L79-A81 PolarHBondContact O-N 2.91Å
82T94.8Very high94.3Very high90 Ų9060.2 Ų60.255%0.55239%0.392SS*.EExtended strand (participates in β ladder)trans-90.8130.1171.6-54.70000109.5L78 L79 N80 L84L78-T82 CarbonylContact C-O 3.6Å; L78-T82 WeakPolarHBondContact CA-O 3.41Å; L79-T82 PolarHBondContact N-O 2.85Å; L79-T82 WeakPolarHBondContact O-CA 3.17Å; L79-T82 WeakPolarHBondContact O-CB 3.45Å; L79-T82 PolarHBondContact O-N 3.21Å; N80-T82 PolarHBondContact O-N 3.05Å; N80-T82 VanDerWaalsContact O-N 3.13Å; T82-L84 PolarHBondContact O-N 2.92Å
83P95.1Very high94.3Very high92 Ų9261.2 Ų61.260%0.59739%0.391SS*.EExtended strand (participates in β ladder)trans-66.4133.1175.227.7-33.6000111.1L78L78-P83 HydrophobicContact CD2-CB 3.74Å
84L94.7Very high94.2Very high28 Ų2865.8 Ų65.815%0.14741%0.414CS..PPolyproline II helixtrans-78.1152.7169.5-64.1-173.8000110.3V68 T77 L79 T82 A90V68-L84 HydrophobicContact CG1-CD1 3.63Å; V68-L84 HydrophobicContact CG2-CD1 4.1Å; T77-L84 HydrophobicContact CG2-CD1 3.74Å; T77-L84 HydrophobicContact CG2-CG 4.37Å; T77-L84 PolarHBondContact O-N 2.81Å; L79-L84 HydrophobicContact CB-CD1 4.21Å; L79-L84 HydrophobicContact CB-CD2 3.63Å; L79-L84 HydrophobicContact CB-CG 3.92Å; L79-L84 HydrophobicContact CD2-CD2 3.99Å; L79-L84 HydrophobicContact CG-CD2 4.48Å; T82-L84 PolarHBondContact O-N 2.92Å; L84-A90 HydrophobicContact CD1-CB 4.48Å; L84-A90 HydrophobicContact CD2-CB 3.6Å
85V94.6Very high94.3Very high94 Ų9463.1 Ų63.157%0.5740%0.404SS*.PPolyproline II helixtrans-87.7127.4170.4-175.10000108.2I88V85-I88 HydrophobicContact CB-CB 4.34Å; V85-I88 HydrophobicContact CB-CD1 4Å; V85-I88 HydrophobicContact CB-CG1 4.28Å; V85-I88 HydrophobicContact CG1-CD1 3.65Å; V85-I88 HydrophobicContact CG1-CG1 4.03Å; V85-I88 PolarHBondContact O-N 2.98Å
86A93.4Very high94.4Very high46 Ų4659.1 Ų59.138%0.3838%0.382SS..THydrogen-bonded Turntrans-54.1142.517700000111.7I88A86-I88 PolarHBondContact O-N 3.15Å
87T93Very high94.5Very high110 Ų11060.9 Ų60.968%0.67539%0.385SS*.THydrogen-bonded Turntrans66.7-2.8178.4-39.10000115.4D70D70-T87 PolarHBondContact O-N 3.01Å
88I94Very high94.5Very high101 Ų10160.8 Ų60.852%0.51839%0.385SS..SBendtrans-101.2121.5177-56.5-172.5000110.5V85 A86 A90V85-I88 HydrophobicContact CB-CB 4.34Å; V85-I88 HydrophobicContact CB-CD1 4Å; V85-I88 HydrophobicContact CB-CG1 4.28Å; V85-I88 HydrophobicContact CG1-CD1 3.65Å; V85-I88 HydrophobicContact CG1-CG1 4.03Å; V85-I88 PolarHBondContact O-N 2.98Å; A86-I88 PolarHBondContact O-N 3.15Å; I88-A90 PolarHBondContact O-N 2.93Å
89P93.9Very high94.5Very high64 Ų6461.8 Ų61.842%0.41639%0.387SS..PPolyproline II helixtrans-67.7116.5176.2-19.631.7000112.6T67 T69T67-P89 HydrophobicContact CG2-CB 4.27Å; T69-P89 HydrophobicContact CG2-CG 4.38Å; T69-P89 WeakPolarHBondContact OG1-CA 3.35Å; T69-P89 WeakPolarHBondContact OG1-CB 3.49Å; T69-P89 WeakPolarHBondContact OG1-CG 3.4Å
90A94.5Very high94.5Very high18 Ų1860.9 Ų60.915%0.14938%0.382CS..EExtended strand (participates in β ladder)trans-98.1139.9174.300000111.1T67 V68 L84 I88T67-A90 CarbonylContact C-O 3.55Å; T67-A90 WeakPolarHBondContact CA-O 3.42Å; T67-A90 WeakPolarHBondContact CB-O 3.33Å; V68-A90 HydrophobicContact CG1-CB 4.2Å; V68-A90 PolarHBondContact N-O 3.26Å; V68-A90 PolarHBondContact O-N 3.14Å; L84-A90 HydrophobicContact CD1-CB 4.48Å; L84-A90 HydrophobicContact CD2-CB 3.6Å; I88-A90 PolarHBondContact O-N 2.93Å
91P93.9Very high94.4Very high71 Ų7157.6 Ų57.646%0.46137%0.367SS..EExtended strand (participates in β ladder)trans-67.5136.8178.829-34.6000112
92L94.7Very high94.5Very high8 Ų858.9 Ų58.94%0.04236%0.357CS..PPolyproline II helixtrans-99.6145.1169.6-71.2-177.2000111.6V56 W66 V68 L79 I98 V108 I110V56-L92 HydrophobicContact CG1-CD1 3.55Å; V56-L92 HydrophobicContact CG2-CD1 4.45Å; W66-L92 HydrophobicContact CB-CB 4.14Å; W66-L92 PolarHBondContact O-N 3.42Å; V68-L92 HydrophobicContact CB-CD1 4.1Å; V68-L92 HydrophobicContact CB-CD2 4Å; V68-L92 HydrophobicContact CB-CG 3.98Å; V68-L92 HydrophobicContact CG1-CD1 4.47Å; V68-L92 HydrophobicContact CG1-CD2 3.49Å; V68-L92 VanDerWaalsContact CG1-CD2 3.49Å; V68-L92 HydrophobicContact CG1-CG 3.84Å; L79-L92 HydrophobicContact CD1-CD2 3.61Å; L79-L92 HydrophobicContact CD2-CD2 4.24Å; L92-I98 HydrophobicContact CD1-CD1 4.29Å; L92-I98 HydrophobicContact CD2-CD1 3.99Å; L92-I98 HydrophobicContact CD2-CG1 4.35Å; L92-V108 HydrophobicContact CD1-CG2 4.41Å; L92-V108 HydrophobicContact CD2-CG2 4.38Å; L92-I110 HydrophobicContact CB-CD1 4.29Å
93S92.5Very high94.4Very high69 Ų6958.1 Ų58.148%0.48335%0.353SS..  trans-120.9164.7175.3-560000111.5D96 V108S93-D96 PolarHBondContact N-OD2 2.87Å; S93-D96 PolarHBondContact O-N 2.83Å; S93-V108 VanDerWaalsContact O-CG1 3.28Å; S93-V108 WeakPolarHBondContact O-CG1 3.42Å
94D93.5Very high94.4Very high108 Ų10853.8 Ų53.858%0.57833%0.325SS*.THydrogen-bonded Turntrans-64.8134.3171.6-174.152.4000111.1S109 I110D94-S109 WeakPolarHBondContact OD1-CA 3.39Å; D94-I110 HydrophobicContact CB-CB 4.31Å; D94-I110 PolarHBondContact OD1-N 2.8Å
95G94.4Very high94.5Very high50 Ų5053.7 Ų53.752%0.51533%0.325SS..THydrogen-bonded Turntrans86.8-4.4-179.100000116.1V108G95-V108 WeakPolarHBondContact CA-O 3.49Å; G95-V108 PolarHBondContact N-O 3.22Å
96D95.9Very high94.7Very high16 Ų1649.2 Ų49.29%0.08630%0.298CS..  trans-58.8148.5-179.4-79.9-12.7000113.4L79 N80 S93 V108L79-D96 HydrophobicContact CD1-CB 3.92Å; N80-D96 PolarHBondContact ND2-OD1 3.44Å; S93-D96 PolarHBondContact N-OD2 2.87Å; S93-D96 PolarHBondContact O-N 2.83Å; D96-V108 HydrophobicContact CB-CB 3.91Å; D96-V108 HydrophobicContact CB-CG1 4.47Å; D96-V108 HydrophobicContact CB-CG2 3.95Å; D96-V108 WeakPolarHBondContact O-CB 3.3Å; D96-V108 PolarHBondContact O-N 3.49Å
97L96.5Very high94.8Very high63 Ų6347.7 Ų47.733%0.3329%0.286SS..EExtended strand (participates in β ladder)trans-114.6115.1175.8-62.4-178.9000110.8K13 N80 V105 L106 A107K13-L97 HydrophobicContact CD-CD2 4.28Å; N80-L97 PolarHBondContact N-O 3.43Å; N80-L97 PolarHBondContact OD1-N 3.37Å; L97-V105 HydrophobicContact CB-CG1 4.24Å; L97-V105 HydrophobicContact CD2-CG1 4.39Å; L97-L106 WeakPolarHBondContact CA-O 3.37Å; L97-A107 HydrophobicContact CD2-CB 3.87Å
98I96.7Very high95Very high0 Ų042.5 Ų42.50%025%0.254CS..EExtended strand (participates in β ladder)trans-101109.7176.4-46.2174.2000108.4L54 V68 T77 L78 L79 L92 I100 V105 L106 V108L54-I98 HydrophobicContact CD2-CG2 3.84Å; V68-I98 HydrophobicContact CG2-CD1 4.49Å; T77-I98 HydrophobicContact CG2-CG2 3.42Å; T77-I98 VanDerWaalsContact CG2-CG2 3.42Å; L78-I98 CarbonylContact O-C 3.59Å; L78-I98 WeakPolarHBondContact O-CA 3.41Å; L79-I98 HydrophobicContact CD1-CG1 3.93Å; L92-I98 HydrophobicContact CD1-CD1 4.29Å; L92-I98 HydrophobicContact CD2-CD1 3.99Å; L92-I98 HydrophobicContact CD2-CG1 4.35Å; I98-I100 HydrophobicContact CG2-CG2 4.1Å; I98-V105 WeakPolarHBondContact O-CA 3.37Å; I98-L106 HydrophobicContact CB-CB 4.26Å; I98-L106 PolarHBondContact N-O 3.27Å; I98-L106 PolarHBondContact O-N 3.36Å; I98-V108 HydrophobicContact CD1-CG2 3.7Å; I98-V108 HydrophobicContact CG1-CG2 3.85Å
99K96.3Very high95Very high80 Ų8040.3 Ų40.335%0.34825%0.247SC..EExtended strand (participates in β ladder)trans-88.3133.4167.7170.8169.9-177.5-175.20109.7L78 G101 E102 T104 V105L78-K99 HydrophobicContact CB-CB 4.24Å; L78-K99 HydrophobicContact CD1-CD 4.26Å; L78-K99 PolarHBondContact N-O 3.02Å; L78-K99 PolarHBondContact O-N 3.27Å; K99-G101 WeakPolarHBondContact CE-O 3.45Å; K99-E102 WeakPolarHBondContact CE-O 3.35Å; K99-E102 PolarHBondContact NZ-O 3.43Å; K99-T104 WeakPolarHBondContact CA-O 3.46Å; K99-T104 WeakPolarHBondContact CG-O 3.47Å; K99-V105 HydrophobicContact CB-CG2 4.25Å; K99-V105 HydrophobicContact CG-CG2 4.5Å
100I95.5Very high95Very high0 Ų038.8 Ų38.80%024%0.235CC..EExtended strand (participates in β ladder)trans-133.7138.7177.453.5179.9000109.9V33 V44 H53 L54 T77 I98 T104 L106V33-I100 HydrophobicContact CG1-CD1 3.94Å; V44-I100 HydrophobicContact CB-CD1 4.42Å; V44-I100 HydrophobicContact CG1-CD1 4.06Å; V44-I100 HydrophobicContact CG1-CG1 4.5Å; V44-I100 HydrophobicContact CG2-CD1 3.73Å; H53-I100 VanDerWaalsContact CD2-CG2 3.4Å; H53-I100 WeakPolarHBondContact CD2-CG2 3.32Å; H53-I100 WeakPolarHBondContact NE2-CB 3.49Å; H53-I100 WeakPolarHBondContact NE2-CG2 3.5Å; L54-I100 HydrophobicContact CD2-CG2 3.58Å; T77-I100 HydrophobicContact CG2-CG2 3.99Å; I98-I100 HydrophobicContact CG2-CG2 4.1Å; I100-T104 HydrophobicContact CD1-CG2 4.03Å; I100-T104 HydrophobicContact CG1-CG2 3.71Å; I100-T104 PolarHBondContact N-O 3.46Å; I100-T104 VanDerWaalsContact N-O 3.08Å; I100-T104 WeakPolarHBondContact O-CB 3.41Å; I100-L106 HydrophobicContact CD1-CD1 3.97Å; I100-L106 HydrophobicContact CD1-CD2 4.38Å; I100-L106 HydrophobicContact CD1-CG 4.18Å
101G93.5Very high94.7Very high11 Ų1140.4 Ų40.411%0.11325%0.245CC..THydrogen-bonded Turntrans58.3-146.5-175.700000113.4G48 K99G48-G101 VanDerWaalsContact O-CA 3.27Å; G48-G101 WeakPolarHBondContact O-CA 3.36Å; K99-G101 WeakPolarHBondContact CE-O 3.45Å
102E92.5Very high93.9Very high117 Ų11741.6 Ų41.655%0.54725%0.252SS..THydrogen-bonded Turntrans-83.4-46.3-170.2-72.9164.1-13200112.6D46 G48 K99D46-E102 PolarHBondContact OD1-N 3.17Å; G48-E102 VanDerWaalsContact CA-OE1 3.31Å; G48-E102 WeakPolarHBondContact CA-OE1 3.42Å; G48-E102 PolarHBondContact N-OE1 2.97Å; K99-E102 WeakPolarHBondContact CE-O 3.35Å; K99-E102 PolarHBondContact NZ-O 3.43Å
103T93.7Very high92.2Very high75 Ų7545.7 Ų45.746%0.4627%0.274SS..THydrogen-bonded Turntrans-120.2-19.3-165.170.10000114.4D46D46-T103 WeakPolarHBondContact OD2-CA 3.46Å; D46-T103 PolarHBondContact OD2-N 2.96Å; D46-T103 PolarHBondContact OD2-OG1 2.96Å
104T95.8Very high90.1Very high0 Ų046.6 Ų46.60%029%0.286CS..EExtended strand (participates in β ladder)trans-82.2132.8-169.4-60.70000112.7V12 K14 G15 V44 D46 K99 I100 L106V12-T104 HydrophobicContact CG1-CG2 4.16Å; K14-T104 VanDerWaalsContact O-CA 3.32Å; K14-T104 WeakPolarHBondContact O-CA 3.39Å; K14-T104 WeakPolarHBondContact O-CG2 3.46Å; G15-T104 WeakPolarHBondContact CA-OG1 3.45Å; V44-T104 HydrophobicContact CG1-CG2 3.61Å; V44-T104 WeakPolarHBondContact CG1-OG1 3.5Å; D46-T104 WeakPolarHBondContact CB-OG1 3.44Å; D46-T104 PolarHBondContact OD2-N 3.36Å; D46-T104 PolarHBondContact OD2-OG1 3.5Å; K99-T104 WeakPolarHBondContact CA-O 3.46Å; K99-T104 WeakPolarHBondContact CG-O 3.47Å; I100-T104 HydrophobicContact CD1-CG2 4.03Å; I100-T104 HydrophobicContact CG1-CG2 3.71Å; I100-T104 PolarHBondContact N-O 3.46Å; I100-T104 VanDerWaalsContact N-O 3.08Å; I100-T104 WeakPolarHBondContact O-CB 3.41Å; T104-L106 HydrophobicContact CG2-CD2 3.96Å
105V96.8Very high87.6Confident27 Ų2743.8 Ų43.816%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-130.4118.6170.8-174.90000108.4K13 K14 L97 I98 K99K13-V105 WeakPolarHBondContact CA-O 3.49Å; K13-V105 WeakPolarHBondContact CB-O 3.29Å; K13-V105 PolarHBondContact N-O 2.95Å; K14-V105 HydrophobicContact CB-CB 4.11Å; K14-V105 HydrophobicContact CB-CG2 4.17Å; K14-V105 HydrophobicContact CD-CG2 4.32Å; K14-V105 PolarHBondContact N-O 2.78Å; K14-V105 VanDerWaalsContact N-O 3.14Å; K14-V105 PolarHBondContact O-N 2.95Å; L97-V105 HydrophobicContact CB-CG1 4.24Å; L97-V105 HydrophobicContact CD2-CG1 4.39Å; I98-V105 WeakPolarHBondContact O-CA 3.37Å; K99-V105 HydrophobicContact CB-CG2 4.25Å; K99-V105 HydrophobicContact CG-CG2 4.5Å
106L96.8Very high85.4Confident0 Ų046.4 Ų46.40%029%0.29CS..EExtended strand (participates in β ladder)trans-87.6140.6169.4-46.2-179.9000108.8L11 V12 V33 L42 L97 I98 I100 T104L11-L106 CarbonylContact O-C 3.57Å; L11-L106 WeakPolarHBondContact O-CA 3.29Å; V12-L106 HydrophobicContact CB-CD2 4.33Å; V12-L106 HydrophobicContact CG1-CD2 4.4Å; V12-L106 HydrophobicContact CG2-CD2 3.76Å; V33-L106 HydrophobicContact CG1-CD1 4.2Å; L42-L106 HydrophobicContact CD2-CD1 4.33Å; L42-L106 HydrophobicContact CD2-CD2 4.15Å; L97-L106 WeakPolarHBondContact CA-O 3.37Å; I98-L106 HydrophobicContact CB-CB 4.26Å; I98-L106 PolarHBondContact N-O 3.27Å; I98-L106 PolarHBondContact O-N 3.36Å; I100-L106 HydrophobicContact CD1-CD1 3.97Å; I100-L106 HydrophobicContact CD1-CD2 4.38Å; I100-L106 HydrophobicContact CD1-CG 4.18Å; T104-L106 HydrophobicContact CG2-CD2 3.96Å
107A96.6Very high82.7Confident14 Ų1448.9 Ų48.912%0.11632%0.319CS..EExtended strand (participates in β ladder)trans-103.8132.4164.800000109.3L10 L11 K13 L97L10-A107 WeakPolarHBondContact CA-O 3.41Å; L11-A107 PolarHBondContact N-O 2.89Å; L11-A107 PolarHBondContact O-N 2.74Å; K13-A107 HydrophobicContact CB-CB 4.44Å; K13-A107 HydrophobicContact CD-CB 4.28Å; L97-A107 HydrophobicContact CD2-CB 3.87Å
108V96.5Very high80.5Confident0 Ų051.4 Ų51.40%034%0.34CS..EExtended strand (participates in β ladder)trans-92.8137177.4177.50000108.7L8 L10 L92 S93 G95 D96 I98 I110L8-V108 HydrophobicContact CD1-CG1 3.74Å; L10-V108 HydrophobicContact CD2-CB 4.44Å; L10-V108 HydrophobicContact CD2-CG2 3.84Å; L92-V108 HydrophobicContact CD1-CG2 4.41Å; L92-V108 HydrophobicContact CD2-CG2 4.38Å; S93-V108 VanDerWaalsContact O-CG1 3.28Å; S93-V108 WeakPolarHBondContact O-CG1 3.42Å; G95-V108 WeakPolarHBondContact CA-O 3.49Å; G95-V108 PolarHBondContact N-O 3.22Å; D96-V108 HydrophobicContact CB-CB 3.91Å; D96-V108 HydrophobicContact CB-CG1 4.47Å; D96-V108 HydrophobicContact CB-CG2 3.95Å; D96-V108 WeakPolarHBondContact O-CB 3.3Å; D96-V108 PolarHBondContact O-N 3.49Å; I98-V108 HydrophobicContact CD1-CG2 3.7Å; I98-V108 HydrophobicContact CG1-CG2 3.85Å; V108-I110 HydrophobicContact CG1-CD1 4.12Å; V108-I110 HydrophobicContact CG1-CG1 3.85Å
109S94.6Very high78Confident56 Ų5654 Ų5439%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-137.5129.2165.3-53.40000110L8 T9 D94L8-S109 CarbonylContact C-O 3.52Å; T9-S109 PolarHBondContact N-O 2.71Å; T9-S109 PolarHBondContact O-N 2.98Å; D94-S109 WeakPolarHBondContact OD1-CA 3.39Å
110I93.4Very high76Confident31 Ų3156.3 Ų56.316%0.15939%0.39CS..EExtended strand (participates in β ladder)trans-119.799.8-174.1-55.5177.6000108.6P6 L8 W66 L92 D94 V108P6-I110 HydrophobicContact CB-CG2 3.99Å; L8-I110 HydrophobicContact CD1-CG1 4.02Å; W66-I110 HydrophobicContact CB-CD1 4.22Å; W66-I110 HydrophobicContact CG-CD1 4.38Å; L92-I110 HydrophobicContact CB-CD1 4.29Å; D94-I110 HydrophobicContact CB-CB 4.31Å; D94-I110 PolarHBondContact OD1-N 2.8Å; V108-I110 HydrophobicContact CG1-CD1 4.12Å; V108-I110 HydrophobicContact CG1-CG1 3.85Å
111S89Confident73.7Confident52 Ų5262 Ų6236%0.36442%0.424SS..EExtended strand (participates in β ladder)trans-94107.6179.9450000111.8V7 D113V7-S111 PolarHBondContact N-O 3.08Å; V7-S111 PolarHBondContact O-N 3.46Å; V7-S111 PolarHBondContact O-OG 3.34Å; S111-D113 VanDerWaalsContact C-N 3.35Å; S111-D113 PolarHBondContact O-N 2.81Å
112T76.4Confident71.6Confident96 Ų9665.5 Ų65.559%0.58945%0.452SS*.  trans-85.972.6159.850.70000109.1P6 A114P6-T112 HydrophobicContact CB-CG2 3.75Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact O-N 2.86Å
113D60.3Low69.3Low94 Ų9465.4 Ų65.450%0.50346%0.46SS..  trans-73.587.2-177.2-171.260.3000111.5S111 G115 P116S111-D113 VanDerWaalsContact C-N 3.35Å; S111-D113 PolarHBondContact O-N 2.81Å; D113-G115 PolarHBondContact O-N 2.6Å; D113-P116 WeakPolarHBondContact OD2-CD 3.47Å
114A47.2Very low67Low89 Ų8971.1 Ų71.174%0.73647%0.472SS*.SBendtrans-78.348.3165.400000111.3P4 T112P4-A114 HydrophobicContact CG-CB 4.28Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact O-N 2.86Å
115G41.8Very low64.6Low49 Ų4981.4 Ų81.451%0.50551%0.511SS..SBendtrans93.6128179.100000113.6D113 G117D113-G115 PolarHBondContact O-N 2.6Å; G115-G117 PolarHBondContact O-N 2.87Å; G115-G117 VanDerWaalsContact O-N 3.14Å
116P47.5Very low62.4Low104 Ų10485.2 Ų85.268%0.67554%0.539SS*.  trans-74.7110.3-172.929-34.8000111.3D113 P118D113-P116 WeakPolarHBondContact OD2-CD 3.47Å; P116-P118 VanDerWaalsContact O-CD 3.29Å; P116-P118 WeakPolarHBondContact O-CD 3.33Å
117G40.2Very low60.2Low68 Ų6895.4 Ų95.470%0.70158%0.578SS**  trans-71.1113163.500000109.9G115 G119G115-G117 PolarHBondContact O-N 2.87Å; G115-G117 VanDerWaalsContact O-N 3.14Å; G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 3.21Å
118P50Low57.9Low117 Ų117105 Ų10576%0.7661%0.611SS**  trans-79.770.9-167.932.8-36.2000112.5P116P116-P118 VanDerWaalsContact O-CD 3.29Å; P116-P118 WeakPolarHBondContact O-CD 3.33Å
119G44.1Very low55.7Low55 Ų55112.8 Ų112.857%0.56765%0.653SS**SBendtrans67.8-180177.200000114.6G117 V121G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 3.21Å; G119-V121 PolarHBondContact O-N 3.13Å
120P54.8Low53.5Low128 Ų128113.9 Ų113.983%0.83167%0.665SS**  trans-69.896.4168.729.8-32.8000108.9A122P120-A122 PolarHBondContact O-N 3.49Å
121V47.3Very low51.1Low119 Ų119117.6 Ų117.672%0.72170%0.701SS**  trans-64.283.5158.3-179.90000107G119 T123G119-V121 PolarHBondContact O-N 3.13Å; V121-T123 PolarHBondContact O-N 2.85Å
122A47.9Very low48.9Very low85 Ų85119.9 Ų119.970%0.70272%0.723SS**  trans-52.1110.6179.200000107.7P120 R124P120-A122 PolarHBondContact O-N 3.49Å; A122-R124 PolarHBondContact O-N 3.27Å
123T44.6Very low47.2Very low115 Ų115120 Ų12071%0.70673%0.733SS**  trans-55.8110.7-167.1-46.70000108.6V121 R125V121-T123 PolarHBondContact O-N 2.85Å; T123-R125 HydrophobicContact CG2-CG 4.06Å; T123-R125 PolarHBondContact O-N 3.43Å
124R44.9Very low46.6Very low194 Ų194120.1 Ų120.173%0.73275%0.747SS**  trans-75.961.7-176-161.1178.9-169.3-90.56.5110.3A122 S126A122-R124 PolarHBondContact O-N 3.27Å; R124-S126 PolarHBondContact O-N 3.15Å
125R46.5Very low46.8Very low216 Ų216122.9 Ų122.982%0.81575%0.75SS**THydrogen-bonded Turntrans-50.7126.4-176.2-71-178.8177-167.2-0.8109.5T123 R127T123-R125 HydrophobicContact CG2-CG 4.06Å; T123-R125 PolarHBondContact O-N 3.43Å; R125-R127 PolarHBondContact O-N 3Å
126S49.3Very low46.9Very low108 Ų108127.2 Ų127.276%0.75576%0.757SS**THydrogen-bonded Turntrans50.460.8157.9-152.20000117.5R124R124-S126 PolarHBondContact O-N 3.15Å
127R51.7Low46.8Very low214 Ų214130.2 Ų130.281%0.80876%0.762SS**SBendtrans-142.642.1159.4-72.7-158.4-179.2-1702.3114.1R125R125-R127 PolarHBondContact O-N 3Å
128R47.1Very low46.8Very low214 Ų214130.6 Ų130.681%0.80877%0.765SS**SBendtrans-140.3-3.6164.2-75.3-164.5-171.7153.32.8115.3A130R128-A130 PolarHBondContact O-N 2.78Å
129N51.5Low46.6Very low165 Ų165131.2 Ų131.288%0.88277%0.77SS**SBendtrans-82.757.3166.4-67.426000109.7
130A48Very low46.4Very low78 Ų78132.8 Ų132.865%0.64578%0.778SS**SBendtrans-163.6148.3176.200000108.8R128R128-A130 PolarHBondContact O-N 2.78Å
131A42.3Very low46.3Very low110 Ų110133.6 Ų133.691%0.90978%0.78SS**SBendtrans65.641.2178.100000116.7
132A43.2Very low46.2Very low100 Ų100133.2 Ų133.283%0.82678%0.78SS**SBendtrans-142.529.2170.900000114
133A41.9Very low46.1Very low97 Ų97141.2 Ų141.280%0.80279%0.792SS**SBendtrans-167152.8169.200000107.2
134A46.8Very low46.1Very low97 Ų97147.9 Ų147.980%0.80280%0.804SS**  trans88.772-170.200000112.4
135D50.9Low46.1Very low148 Ų148143.7 Ų143.779%0.79181%0.811SS**  cis72.613749.9-147.47.8000115.8
136E44.8Very low46Very low140 Ų140137 Ų13765%0.65481%0.809SS**  trans61137.9171.7-82.8-78.370.400123.4
137Q44.2Very low45.9Very low166 Ų166141.3 Ų141.378%0.77681%0.809SS**  trans67.7118149-65.316530.500123.6
138G40Very low45.7Very low76 Ų76141 Ų14178%0.78481%0.808SS**  trans127.7120.913300000117.9
139P46.6Very low45.7Very low130 Ų130140.7 Ų140.784%0.84481%0.812SS**  trans-120.3157.1-16841.2-31.4000118.4
140A39.9Very low45.2Very low89 Ų89137.8 Ų137.874%0.73681%0.811SS**  trans56.6112.414100000122.8
141V53.2Low44.9Very low144 Ų144137.3 Ų137.387%0.87381%0.813SS**  trans-149.3130131.5-167.50000110.8
142P45.5Very low44.9Very low112 Ų112136.8 Ų136.873%0.72781%0.81SS**  trans-120.811916534.9-22.7000113.1
143R46Very low44.9Very low252 Ų252137.9 Ų137.995%0.95181%0.806SS**  trans172.6124.4151.4-102.9157.7172.9154.7-1.6113.8
144R43.8Very low44.9Very low255 Ų255141.9 Ų141.996%0.96281%0.808SS**  trans-157.4151138.6-127.6177.2-177.5-169.10.4110.4
145A43.8Very low44.8Very low106 Ų106141.6 Ų141.688%0.87681%0.806SS**  trans-132.8153.1-171.100000112.4
146G44.6Very low45Very low76 Ų76140.4 Ų140.478%0.78481%0.806SS**  trans138159.4170.100000114.4
147R48.6Very low45Very low199 Ų199142.7 Ų142.775%0.75182%0.817SS**  cis-171.7126.6-8.1179.1178.7-171.9-138.811.9111.1
148R46.1Very low45.1Very low208 Ų208139.6 Ų139.679%0.78582%0.82SS**  trans68.2164.9170.2-65.8165.8174.6-172.2-7.5114.2
149K49Very low45.4Very low207 Ų207139.5 Ų139.590%0.982%0.819SS**  cis-138.9178.814.2-157.8-177.8175-1690110.9
150A41Very low45.5Very low104 Ų104141.4 Ų141.486%0.8682%0.822SS**  trans-134.3165.1-166.700000115.9
151G40.6Very low45.7Very low67 Ų67146.1 Ų146.169%0.69183%0.829SS**  trans160.6126.1174.100000107.4
152A42.9Very low45.4Very low100 Ų100145.7 Ų145.783%0.82683%0.826SS**  67.9127.953.800000111.4
153T43Very low45.4Very low123 Ų123149.6 Ų149.676%0.75584%0.835SS**  cis-150.5-171.224.2-44.80000112.6
154E41.9Very low45.4Very low180 Ų180146.2 Ų146.284%0.84183%0.83SS**  trans-54.9176.6177.3-52151.1118.600115.1
155A44.6Very low45.3Very low92 Ų92143.5 Ų143.576%0.7683%0.828SS**  cis-159.8178.72.900000110.4
156P55.8Low45.3Very low122 Ų122142.6 Ų142.679%0.79282%0.82SS**  trans-108.2163.5-170.240.4-34.7000117
157E44.3Very low45Very low188 Ų188143.6 Ų143.688%0.87982%0.821SS**  -178.6158.6127.4-108.8-171.5-178.600115.9
158A46.5Very low44.5Very low102 Ų102142.1 Ų142.184%0.84383%0.827SS**  trans53.4143.4156.900000122.6
159G45.7Very low44.5Very low74 Ų74138.1 Ų138.176%0.76383%0.829SS**  trans-175.66-179.200000122.8
160N48.4Very low44Very low169 Ų169134.5 Ų134.590%0.90482%0.824SS**  trans65.6151.6169.6-67.74.1000121.6
161E44Very low44.2Very low188 Ų188141.8 Ų141.888%0.87983%0.829SS**  trans-114.4155.3175-57.6146-148.100109.9
162V47.3Very low44.1Very low135 Ų135150.6 Ų150.682%0.81884%0.841SS**  trans-160.8133.7144.1169.80000108.6
163E46.1Very low43.9Very low195 Ų195149.8 Ų149.891%0.91184%0.843SS**  trans-106.5148.6158.4-64.3-175.5138.500109.4
164E45.5Very low43.9Very low180 Ų180147.7 Ų147.784%0.84185%0.846SS**  trans-140.8107.4167-166.5176.5169.900111.6
165E41.6Very low43.8Very low199 Ų199148.9 Ų148.993%0.9384%0.842SS**  trans-124121.9163.9-177.4-176.2-132.700107.8
166A43.1Very low43.7Very low87 Ų87154.3 Ų154.372%0.71984%0.843SS**  trans-146.1137.6-179.500000112.2
167A38.3Very low43.1Very low97 Ų97158.3 Ų158.380%0.80285%0.848SS**  trans-102.5171-173.500000113.9
168L39.9Very low42.7Very low167 Ų167155.7 Ų155.787%0.87485%0.845SS**  trans-50.6151.1176.2-57.3168.2000113.3
169P45.8Very low42.6Very low125 Ų125157.8 Ų157.881%0.81285%0.847SS**  -137.4152.5123.237.1-27.5000114.6
170T38.7Very low42.4Very low130 Ų130162.6 Ų162.680%0.79885%0.85SS**  trans-104.4146.5164.261.40000110.1
171R44.7Very low42.2Very low258 Ų258159.4 Ų159.497%0.97484%0.838SS**  trans-162.7161.9156.1-113.7159.3-163.7-124.3-0.2113.6
172R37.3Very low42Very low251 Ų251155 Ų15595%0.94783%0.834SS**  trans-100.1150-172.2-70.9174.8164.4-173.6-4.7112.7
173G39.8Very low41.5Very low84 Ų84159.1 Ų159.187%0.86684%0.835SS**  trans108145.8156.700000115
174G41.8Very low41.5Very low78 Ų78155.7 Ų155.780%0.80483%0.827SS**  cis164.2153.2-1200000115.6
175R40.8Very low41.4Very low205 Ų205154.8 Ų154.877%0.77482%0.823SS**  trans75.295.2154.4-161.8177.7-170.5-102.89119.5
176R41.6Very low41.6Very low206 Ų206151.3 Ų151.378%0.77782%0.815SS**  trans73.2122.6142.7-59.2173.5-176.9-159.4-2.7120.1
177K44.5Very low41.5Very low206 Ų206156.6 Ų156.690%0.89683%0.825SS**  -149.3152.6109.9-149.5165.4-176.1178.40110.6
178T36.5Very low41.9Very low133 Ų133155.8 Ų155.882%0.81682%0.818SS**  trans-110.6127-17643.90000111.1
179V43.8Very low42.1Very low146 Ų146156.6 Ų156.689%0.88582%0.818SS**  trans-144.9129.6157.5-177.10000108.9
180E40.2Very low41.7Very low175 Ų175158.6 Ų158.682%0.81882%0.821SS**  trans-135.9170157.4-120.4-143125.300105.1
181P45.1Very low42Very low103 Ų103161.4 Ų161.467%0.66983%0.826SS**  cis-126.2176.1-3.241.2-27.7000113.1
182A40.2Very low41.9Very low95 Ų95158.5 Ų158.579%0.78582%0.823SS**  trans-151.2108.2154.300000110
183R37.2Very low42.2Very low222 Ų222155.7 Ų155.784%0.83882%0.821SS**  trans-84.2138.2160.3-68.6-175.4-179.2-170.40.3108.2
184V44.4Very low42.3Very low122 Ų122160.5 Ų160.574%0.73982%0.82SS**  trans-128.8120158.5177.50000106.3T186V184-T186 HydrophobicContact CG1-CG2 4.08Å
185E44.6Very low42.3Very low162 Ų162160.9 Ų160.976%0.75782%0.816SS**  trans-92126.4169.6-71159.7175.500106.7
186T45.3Very low42.1Very low126 Ų126155.5 Ų155.577%0.77382%0.815SS**  trans-134.699.5169.744.30000108.3V184V184-T186 HydrophobicContact CG1-CG2 4.08Å
187E41.9Very low42.4Very low197 Ų197153.2 Ų153.292%0.92182%0.817SS**  trans-72134.8159.9-54.9177.613800108.2
188A46.3Very low42.2Very low80 Ų80149.3 Ų149.366%0.66181%0.813SS**  trans-166.9125.7157.400000111.3
189E43.2Very low42Very low184 Ų184154.9 Ų154.986%0.8682%0.819SS**  trans60101.4139.7-70.5144.8-152.500119.9
190D37.7Very low41.9Very low167 Ų167160 Ų16089%0.89382%0.822SS**  trans-68134.3151.3-52.8-86.8000110.7
191E44.6Very low41.6Very low190 Ų190155.5 Ų155.589%0.88882%0.823SS**  trans-132.5124.8159.6-72.9-158.5138.400111
192E43.8Very low41.4Very low197 Ų197162.7 Ų162.792%0.92184%0.837SS**  trans-93.4108174.3-65-173.3130.200110.6E194E192-E194 PolarHBondContact O-N 2.77Å
193E43.3Very low41.3Very low192 Ų192162.9 Ų162.990%0.89783%0.833SS**  trans-89.487.5177.1-162.9179.2-162.300112.4A195E193-A195 PolarHBondContact O-N 3.48Å; E193-A195 VanDerWaalsContact O-N 3.13Å
194E41.3Very low41.4Very low184 Ų184163.8 Ų163.886%0.8684%0.836SS**  trans-78.888.6175.6-166.3-173.9-150.200112.4E192 A196E192-E194 PolarHBondContact O-N 2.77Å; E194-A196 PolarHBondContact O-N 3.4Å
195A42Very low41.3Very low86 Ų86168.4 Ų168.471%0.71185%0.846SS**  trans-73.483.2-178.900000114.3E193E193-A195 PolarHBondContact O-N 3.48Å; E193-A195 VanDerWaalsContact O-N 3.13Å
196A37.7Very low40.9Very low92 Ų92165.6 Ų165.676%0.7685%0.851SS**  trans-73.7132.3178.100000114.2E194E194-A196 PolarHBondContact O-N 3.4Å
197I47.1Very low40.5Very low159 Ų159164.1 Ų164.182%0.81585%0.851SS**  trans-118.6133.2176.9-62.7-178.7000110.4
198P39.6Very low40.1Very low123 Ų123159.5 Ų159.580%0.79985%0.847SS**  trans-85.6150.9-156.632-37.7000116.3
199R32.1Very low39.9Very low251 Ų251162.1 Ų162.195%0.94786%0.855SS**  trans-78.1125172.9-68.2177171.4172.3-2112.3
200R41.6Very low39.9Very low252 Ų252160 Ų16095%0.95185%0.854SS**  trans-136.9123.2147.7-78.5-164.5171.3-149.2-2.7110.1
201G34.9Very low39.8Very low82 Ų82158.1 Ų158.185%0.84585%0.848SS**  trans-97.1160.4178.500000113
202R39.8Very low40.1Very low254 Ų254156.8 Ų156.896%0.95885%0.846SS**  trans-140154.6158.6-154.9166.4-172.3-99.12109.7
203S38.7Very low40.9Very low99 Ų99152.7 Ų152.769%0.69284%0.837SS**  trans-115144.5-152.640.10000115
204R39.5Very low41.2Very low240 Ų240149.5 Ų149.591%0.90683%0.833SS**  trans47.6113.1147-62.2176.1177.8174.4-2118.8
205K42.5Very low41.7Very low219 Ų219149.1 Ų149.195%0.95283%0.831SS**  -152.7165.4116.4-116.1176.9-178.8-176.60110.4
206A35.4Very low42.1Very low103 Ų103150.4 Ų150.485%0.85183%0.832SS**  trans-137.8141.2-165.800000113.3
207A38.7Very low42.5Very low95 Ų95154.8 Ų154.879%0.78584%0.837SS**  trans-156.7110.8151.600000104.9
208A33.3Very low42.5Very low100 Ų100155 Ų15583%0.82684%0.84SS**  76.684.563.500000113
209T40.9Very low42.5Very low135 Ų135155.1 Ų155.183%0.82884%0.839SS**  trans-141.7124161.2-63.20000109.9
210V43.4Very low43.2Very low139 Ų139154.8 Ų154.884%0.84284%0.837SS**  trans15.5135.9157.7-169.40000120.4
211V36.1Very low43.5Very low129 Ų129147.8 Ų147.878%0.78283%0.827SS**  trans-100.6142.9-179.1172.70000112.4
212L51.1Low44.2Very low161 Ų161150.4 Ų150.484%0.84383%0.827SS**  trans-127.5149.6153.2-82.9169.9000109.4
213P59.4Low44.4Very low112 Ų112149.9 Ų149.973%0.72783%0.825SS**PPolyproline II helixtrans-83.3145.4-163.231.8-36000114.3
214P51.1Low44.3Very low125 Ų125149.9 Ų149.981%0.81283%0.831SS**PPolyproline II helixtrans-79.7144.6174.632.6-34.5000112.8
215Q51.9Low44.5Very low175 Ų175143 Ų14382%0.81883%0.825SS**PPolyproline II helixtrans-68.6145170.3-73.4-78.4-7.300111.4Q217Q215-Q217 PolarHBondContact O-N 3.3Å
216P49.2Very low44.5Very low114 Ų114137.1 Ų137.174%0.7482%0.817SS**PPolyproline II helixtrans-76.1121.5-173.429.7-34000112.8
217Q45.6Very low45Very low183 Ų183144.3 Ų144.386%0.85582%0.822SS**PPolyproline II helixtrans-80.9124.8169.3-68.6-176.6-21.700110.4Q215 T219Q215-Q217 PolarHBondContact O-N 3.3Å; Q217-T219 PolarHBondContact O-N 3.05Å
218N47.4Very low45.2Very low164 Ų164150 Ų15088%0.87783%0.83SS**  trans-84.4110.2-173.2-166.61.7000111.5
219T40.8Very low45.7Very low126 Ų126148 Ų14877%0.77382%0.818SS**  trans-91.8105.1-173.944.80000112.4Q217 S221Q217-T219 PolarHBondContact O-N 3.05Å; T219-S221 PolarHBondContact O-N 3.19Å
220R45.3Very low45.7Very low243 Ų243149 Ų14992%0.91782%0.819SS**  trans-76.3107.2174.8-165.8175.1-173.2176.13.2110.7
221S49.5Very low45.7Very low106 Ų106147.9 Ų147.974%0.74181%0.812SS**  trans-69.9133.7-178-178.10000113.5T219T219-S221 PolarHBondContact O-N 3.19Å
222T49.6Very low46.2Very low136 Ų136149.9 Ų149.983%0.83482%0.817SS**  trans-117.999.2163.452.30000109.4A224T222-A224 PolarHBondContact O-N 2.91Å
223R42.3Very low45.7Very low244 Ų244145.1 Ų145.192%0.92181%0.807SS**  trans-91.997.1-176.5-174.2-176.8-175.1174.13.2111.4
224A37.2Very low44.8Very low99 Ų99145.6 Ų145.682%0.81881%0.812SS**  trans-126.2105.5170.700000110.4T222T222-A224 PolarHBondContact O-N 2.91Å
225A43.5Very low44.5Very low95 Ų95147.1 Ų147.179%0.78581%0.808SS**  trans-158.9125.7173.800000113.1
226A42.9Very low44.2Very low95 Ų95145.3 Ų145.379%0.78580%0.804SS**  trans46.7110.3149.900000120.6
227R46.2Very low44.1Very low254 Ų254147.2 Ų147.296%0.95881%0.808SS**  -129.2137.5125.4-72.5-164.2172.2-153.4-3.2109.6
228K43.2Very low43.9Very low216 Ų216147.6 Ų147.694%0.93981%0.81SS**  trans-94.7161.1169.3-75.9-177.3170.9-174.50109.4
229G42.9Very low43.6Very low57 Ų57143.4 Ų143.459%0.58881%0.805SS**  trans141.895.1154.800000114.2
230D41.9Very low43.7Very low156 Ų156147.4 Ų147.483%0.83481%0.812SS**  trans57.8158.4136.3-56.4-55.8000121.5
231V42.5Very low43.7Very low116 Ų116142.8 Ų142.870%0.70381%0.81SS**  cis-165.9161.2-44.6107.90000107.4
232L46.2Very low43.4Very low171 Ų171145.8 Ų145.890%0.89582%0.815SS**  trans71.2148.7-172.6-43.4179.3000114.5
233G40.4Very low42.9Very low61 Ų61149.8 Ų149.863%0.62982%0.815SS**  cis166.2151.6-8.200000112.4
234C41.7Very low43Very low122 Ų122145.5 Ų145.582%0.82482%0.816SS**  trans64.3154.3178.2-480000116.4
235E43.9Very low43.3Very low156 Ų156143.7 Ų143.773%0.72981%0.806SS**  cis164.8136.1-43.3-100.2176.890.300107.2
236N45.8Very low43.3Very low138 Ų138151.8 Ų151.874%0.73882%0.817SS**  trans68158.7165.6-48.4-29.7000115.9
237D47.9Very low43.1Very low153 Ų153150.4 Ų150.482%0.81881%0.812SS**  cis-144.5170.716-138.6-45.9000113.3
238E40.7Very low43.1Very low191 Ų191150.9 Ų150.989%0.89381%0.813SS**  trans-85.3140.3-177.1-65.4-162.2132.900114.4
239G42.4Very low42.9Very low76 Ų76144 Ų14478%0.78480%0.804SS**  trans-136.871.5-173.200000115.7
240K41.9Very low42.7Very low211 Ų211153 Ų15392%0.91782%0.82SS**  trans-92.3117.1-175.3175.5-175.6178.7178.90113.2
241V45.8Very low42.8Very low146 Ų146150.8 Ų150.889%0.88581%0.812SS**  trans-136.6157.5175-143.70000114
242M42.7Very low42.5Very low168 Ų168151.8 Ų151.883%0.82882%0.818SS**  trans-82150.9-157.9-83.8-79.3-16200118.3
243R38.5Very low42.5Very low221 Ų221155.1 Ų155.183%0.83482%0.819SS**  trans-25.6140.3150.2-62168.6165.2-177.6-5.3116.9
244T44.3Very low42.3Very low154 Ų154157.3 Ų157.395%0.94582%0.824SS**  165.8153.9120.134.70000109.6
245G43.3Very low42.2Very low60 Ų60157.3 Ų157.362%0.61983%0.826SS**  cis163.4151.6-11.100000112.2
246R43.5Very low42.1Very low266 Ų266154.4 Ų154.4100%1.00483%0.829SS**  trans73.4146.2178.9-44.8171.4-175.4-152.5-1.6114.6
247G40.3Very low42.1Very low66 Ų66159.4 Ų159.468%0.6884%0.837SS**  cis158.2165.8-12.200000114.2
248R45.5Very low41.9Very low264 Ų264160.3 Ų160.3100%0.99684%0.842SS**  trans73.4143.6177.3-46.7176-178.7-160.6-0.9115.4
249G39.7Very low41.9Very low71 Ų71158.3 Ų158.373%0.73284%0.838SS**  cis142.5128.7-17.700000115.7
250R37.5Very low41.8Very low246 Ų246161.5 Ų161.593%0.92884%0.842SS**  trans64.2165179.2-90.3-178-179.3-128.11.1113.8
251V44.9Very low41.8Very low110 Ų110155.1 Ų155.167%0.66784%0.836SS**  cis-142.7142.526.2170.70000111.1R253V251-R253 HydrophobicContact CG1-CG 4.36Å
252T36.5Very low41.4Very low137 Ų137154.4 Ų154.484%0.8483%0.832SS**  trans-80.6135.7160.438.50000110.9
253R45.3Very low41.1Very low240 Ų240152.2 Ų152.291%0.90683%0.828SS**  trans-133.4136.2178.7-116.3-179.5173.2-176.1-4.4113V251V251-R253 HydrophobicContact CG1-CG 4.36Å
254S37Very low41.2Very low107 Ų107149.7 Ų149.775%0.74883%0.826SS**  trans-119.3166.8-178.4-45.10000110.4
255S38.7Very low41.1Very low122 Ų122150.1 Ų150.185%0.85382%0.817SS**  trans70.3107.5157.6-53.50000119.3
256A42.5Very low41.2Very low95 Ų95157 Ų15779%0.78583%0.833SS**  -176.5115.1122.700000106.6
257R44.4Very low41.1Very low244 Ų244153 Ų15392%0.92183%0.826SS**  45.699.268.5-74.2-167.2176.7-174.9-1.3113.1
258N45Very low41.2Very low172 Ų172158.9 Ų158.992%0.9284%0.836SS**  trans-132.3134.5144.4-104.5-0.3000107.1
259D39.9Very low40.9Very low149 Ų149150.1 Ų150.180%0.79783%0.828SS**  trans-153.8167-173.2-151.9-27.5000107.2
260T41.3Very low40.9Very low142 Ų142155.7 Ų155.787%0.87183%0.834SS**  trans68.1138.3-176.769.90000117.6
261G41.2Very low41.2Very low78 Ų78150.2 Ų150.280%0.80483%0.828SS**  trans160.967.5-18000000112.6
262V37.2Very low40.9Very low131 Ų131149.4 Ų149.479%0.79483%0.833SS**  trans-109164.6-178.3177.30000109.8
263T37.1Very low41.2Very low122 Ų122149.3 Ų149.375%0.74883%0.832SS**  trans83.2145-179.874.70000114.7
264Q40.9Very low41Very low167 Ų167141.4 Ų141.478%0.7882%0.818SS**  cis-146.5-173.2-0.7-137.6164.9-27.900113.1
265E41.7Very low41.2Very low164 Ų164146.1 Ų146.177%0.76682%0.819SS**  trans-80.2155.3-172.2-58.9146143.100113.4
266E44.3Very low41.7Very low205 Ų205146.8 Ų146.896%0.95881%0.813SS**  trans-161.1163.5136.8-113.2167.6-152.400110.1
267E43.3Very low41.8Very low182 Ų182152.6 Ų152.685%0.8582%0.815SS**  trans-123.7-177.8-153.9-160.4174.6171.100113.7
268E41.4Very low41.8Very low189 Ų189149.2 Ų149.288%0.88381%0.81SS**  trans79.4143.3167.7-52.3-169.7174.900118.5
269G40Very low41.6Very low80 Ų80144.1 Ų144.183%0.82580%0.798SS**  trans15226.9174.600000119.6
270E39.6Very low41.7Very low187 Ų187142.5 Ų142.587%0.87479%0.793SS**  trans-71.1124.2-179.1-177.5-166163.200113.8
271V43.6Very low41.7Very low131 Ų131140.4 Ų140.479%0.79479%0.79SS**  trans-149.3132.4146.1-170.30000110.7V273V271-V273 HydrophobicContact CG1-CG2 4.1Å
272A37.4Very low41.9Very low94 Ų94141.8 Ų141.878%0.77779%0.794SS**  trans-131.6135.9164.300000111.2
273V43.5Very low42.1Very low134 Ų134139.4 Ų139.481%0.81280%0.796SS**  trans-138.3145.8176.2-173.60000109.5V271V271-V273 HydrophobicContact CG1-CG2 4.1Å
274A40.1Very low42.7Very low74 Ų74136.6 Ų136.661%0.61279%0.792SS**  trans-145.5-179-172.900000112.2
275R41.6Very low42.8Very low207 Ų207137.5 Ų137.578%0.78179%0.793SS**  trans85.5158.8-178.7-45.7177.4-175.486.11.3113.7
276D49.7Very low43.1Very low136 Ų136135.4 Ų135.473%0.72779%0.787SS**  cis-135.8-163.211.6-86.4-70.3000111.7
277R45.2Very low43.1Very low217 Ų217134.5 Ų134.582%0.81978%0.783SS**  -177124.6-72-176.6-176.9-163164.34113.4
278E43.9Very low43.2Very low173 Ų173131 Ų13181%0.80877%0.774SS**  trans-160.9179.1145.6-116.4-145.191.100107.6T280E278-T280 PolarHBondContact OE1-OG1 2.91Å
279G41.8Very low43.8Very low65 Ų65128.1 Ų128.167%0.6777%0.769SS**  cis158.8157.1-1.300000109.4
280T40.7Very low44.6Very low114 Ų114130.1 Ų130.170%0.69977%0.767SS**  cis-163.3153.3-9.2-81.40000108.1E278E278-T280 PolarHBondContact OE1-OG1 2.91Å
281A41.9Very low44.9Very low98 Ų98126.3 Ų126.381%0.8177%0.768SS**  trans71.7149.4176.300000118.2
282A46.1Very low45.1Very low107 Ų107125.4 Ų125.488%0.88477%0.774SS**  cis-159.8166.6-16.600000110.9
283G39.6Very low45.6Very low82 Ų82124.8 Ų124.885%0.84578%0.776SS**  trans-169.4161.3174.800000115.5
284G50.3Low45.8Very low63 Ų63129.1 Ų129.165%0.64978%0.778SS**  trans-132.3147.2170.900000110.3
285K44Very low46Very low186 Ų186132.7 Ų132.781%0.80979%0.792SS**  74.1128.871.9-71.7-169.3161.3-139.90112.9
286D47.4Very low46.2Very low119 Ų119130.9 Ų130.964%0.63679%0.793SS**  cis-161.2164.63-97.1-33000110.4
287E44.9Very low46Very low186 Ų186129 Ų12987%0.86980%0.796SS**  trans65.2157.1156.5-70.2-161.8118.200121
288V44.8Very low46.3Very low110 Ų110127.7 Ų127.767%0.66780%0.796SS**  cis-159.5140.6-8.8121.40000114.7
289V53.4Low46.4Very low128 Ų128130.6 Ų130.678%0.77680%0.8SS**  trans40.6138.8148.4-175.40000123.9
290P58.3Low46.8Very low121 Ų121133.6 Ų133.679%0.78681%0.811SS**  trans-108.7-175.8174.643.3-36.7000115.7
291A45.9Very low47.1Very low108 Ų108140.4 Ų140.489%0.89382%0.823SS**  trans-137.1162.1169.300000112.7
292A46.3Very low47.1Very low112 Ų112139.8 Ų139.893%0.92683%0.826SS**  trans-128.4159.2-165.200000115.5
293G47.5Very low47.1Very low80 Ų80138.5 Ų138.583%0.82582%0.824SS**  trans-148.1138.3171.700000111.9
294R48.2Very low47.5Very low226 Ų226147.2 Ų147.285%0.85383%0.831SS**  trans-153.5120.7-161.4176.2-163-174.4-133.88.6113.5
295V44.4Very low47.3Very low148 Ų148148 Ų14890%0.89784%0.84SS**  trans-143.6142.6160.4-174.60000110.6
296Q47.1Very low47.7Very low170 Ų170151.6 Ų151.679%0.79485%0.848SS**  trans-130.5138.4173.7-66.8179.2-39.600111
297A44.3Very low47.7Very low97 Ų97149.6 Ų149.680%0.80286%0.856SS**  trans179156.6153.800000111.3
298K51.7Low47.7Very low189 Ų189152.5 Ų152.582%0.82286%0.859SS**  cis-160.7119.5-33.5-117.9179.1-177.2174.40108.4
299R45.7Very low47.5Very low233 Ų233151.3 Ų151.388%0.87986%0.86SS**  trans8.6130149.349.216377.6170.72.3120.3
300S51.1Low47.2Very low129 Ų129152 Ų15290%0.90287%0.865SS**  -163.8164.2125.955.30000111.8
301R46.1Very low46.4Very low256 Ų256152.9 Ų152.997%0.96687%0.868SS**  trans-114150.2-175.5-78.3175.3165.4168.9-6.5111.2
302G42.9Very low46.2Very low85 Ų85152.3 Ų152.388%0.87686%0.863SS**  trans114127.6137.400000117.2
303G45.8Very low46.1Very low81 Ų81152.2 Ų152.284%0.83586%0.856SS**  trans168.7113.5170.500000111.2
304R48.1Very low46.1Very low264 Ų264153.6 Ų153.6100%0.99685%0.848SS**  trans-94.7131173.7-71179.2174.3177.2-2.6109.2
305G45.8Very low46.1Very low80 Ų80154.1 Ų154.183%0.82585%0.851SS**  trans-144.7136.4172.800000111.3
306R53.1Low46Very low261 Ų261156.3 Ų156.399%0.98585%0.848SS**  trans-94.8136176-65.3176.8173.5-177.4-3.2109.3
307G46.3Very low45.7Very low77 Ų77151.4 Ų151.479%0.79484%0.837SS**  trans-167.672.8-176.800000116.3
308R45.8Very low45.6Very low248 Ų248155.4 Ų155.494%0.93684%0.839SS**  trans29.4120.2151-161.6175.1-170.8-134.73.2119.3
309A39Very low45.4Very low84 Ų84154.5 Ų154.569%0.69484%0.843SS**  trans-79.7144.3-179.100000115.4
310T48.7Very low45.6Very low143 Ų143147.3 Ų147.388%0.87783%0.833SS**  trans-146.598.3150.1490000108.3
311T41.2Very low45.2Very low140 Ų140147.4 Ų147.486%0.85983%0.828SS**  trans-105.5116.7-179.545.80000111
312A42.1Very low45.1Very low95 Ų95139.1 Ų139.179%0.78581%0.814SS**  trans-122.1122.7170.100000110.1
313S42.8Very low45.3Very low110 Ų110142.9 Ų142.977%0.76981%0.809SS**  trans66.5155.4160.1-155.50000120.3
314T48.4Very low45.3Very low109 Ų109146 Ų14667%0.66981%0.807SS**  trans77.7138.2168.379.40000118.7
315R47.2Very low45.2Very low238 Ų238140.6 Ų140.690%0.89880%0.797SS**  trans75.2151.5166.7-48.2171.6-164.6-155.4-1.2116.6
316K42.2Very low45.4Very low193 Ų193145.5 Ų145.584%0.83980%0.799SS**  cis-178.8123.8-38.7165.7176.8175.1-174.50106.2
317A42.4Very low45Very low68 Ų68140.6 Ų140.656%0.56279%0.792SS**  trans65.2160.4164.600000118.6
318E42.1Very low44.9Very low181 Ų181145.8 Ų145.885%0.84680%0.796SS**  trans58.495.6160.1-65.4143.6-107.300117.8
319D46.1Very low44.5Very low169 Ų169141.1 Ų141.190%0.90479%0.785SS**  -172.4171.9106.7-131.2-37.7000114.2
320A50.1Low44.8Very low82 Ų82146.5 Ų146.568%0.67880%0.795SS**  trans65.196.1156.800000121.4
321V43.4Very low44.7Very low131 Ų131149 Ų14979%0.79480%0.797SS**  trans6127.8133.6-175.20000118.4E323V321-E323 HydrophobicContact CG1-CG 4.44Å
322A44Very low45Very low82 Ų82152 Ų15268%0.67879%0.793SS**  trans-149.679.9155.200000110.9N324A322-N324 PolarHBondContact O-N 2.95Å; A322-N324 PolarHBondContact O-ND2 3.27Å
323E45.8Very low45Very low165 Ų165155.2 Ų155.277%0.77180%0.797SS**  trans-61.9124.8168.1-67.7170.7162.800109V321V321-E323 HydrophobicContact CG1-CG 4.44Å
324N47.5Very low45.1Very low146 Ų146159.3 Ų159.378%0.78181%0.806SS**  trans-116.450.3177.9-81-84.7000110.3A322 E326A322-N324 PolarHBondContact O-N 2.95Å; A322-N324 PolarHBondContact O-ND2 3.27Å; N324-E326 PolarHBondContact O-N 3.5Å
325D45Very low44.9Very low150 Ų150159 Ų15980%0.80282%0.815SS**  trans-81.255176.1-76.9-42.5000112.2
326E50.5Low44.6Very low184 Ų184155.8 Ų155.886%0.8682%0.815SS**  trans-135.972.8175.6-72.1-161.6152.700112.5N324N324-E326 PolarHBondContact O-N 3.5Å
327N44.8Very low44.5Very low158 Ų158149.5 Ų149.585%0.84581%0.806SS**  trans-15934.6154.8-147.774.8000116.8
328E43Very low44.4Very low185 Ų185157.8 Ų157.886%0.86482%0.822SS**  trans-98.330.2179.7-71-143.3136.800115.4
329Q38.4Very low44.2Very low150 Ų150158.3 Ų158.370%0.70183%0.825SS**  trans-139.833.6-166.2-151.463.377.100117.3
330E44.9Very low44.2Very low197 Ų197161.7 Ų161.792%0.92183%0.825SS**SBendtrans-145.637.2176.5-136.7169.4-122.600117
331E47.3Very low43.8Very low195 Ų195161.7 Ų161.791%0.91183%0.833SS**SBendtrans-139.555.5163.7-157.8164.4-130.600112.2
332R46Very low43.4Very low205 Ų205159 Ų15977%0.77483%0.831SS**  trans-134.227.7175.9-65.6-168.5-172.5164.58.1114.4
333D43.9Very low43.4Very low162 Ų162160.7 Ų160.787%0.86684%0.838SS**  trans-137.347.8-176.6-92.1-51.7000114
334M44.6Very low43.4Very low195 Ų195159 Ų15996%0.96184%0.841SS**  trans-139.567.9165-71.8-157.8-172.700111.7
335A42.6Very low43.2Very low104 Ų104160.3 Ų160.386%0.8685%0.848SS**  trans-13942-175.200000114.7
336D40.9Very low43.1Very low169 Ų169164.1 Ų164.190%0.90485%0.851SS**  trans-152.6154.1160.1-160.60.2000111.7
337G40.1Very low42.7Very low62 Ų62162.2 Ų162.264%0.63985%0.851SS**  trans104.323.9145.500000121.2
338R40.7Very low42.6Very low242 Ų242161.7 Ų161.791%0.91385%0.847SS**  trans-160.596.2151.1-122174.9-168.4-157.72.2118
339E38.6Very low42.4Very low191 Ų191157 Ų15789%0.89384%0.84SS**  trans-76.7118.2147.5-65.2-173135.600110
340R46.8Very low42.8Very low241 Ų241155.6 Ų155.691%0.90984%0.842SS**  trans-156.1148.1136.3-70.2-149175.7-145.1-8.3108.1
341G40.1Very low42.8Very low82 Ų82153.5 Ų153.585%0.84584%0.837SS**  trans-64.4164.3-177.900000113.6
342G36.7Very low42.8Very low73 Ų73151.8 Ų151.875%0.75383%0.834SS**  cis134.897.8700000110.3
343S43.1Very low42.4Very low119 Ų119145.8 Ų145.883%0.83284%0.836SS**  trans-161.1125.6173.9-78.20000109.5
344P46.6Very low42.5Very low128 Ų128143.2 Ų143.283%0.83183%0.831SS**PPolyproline II helixtrans-74.8163.7177.431.2-34.5000112.3
345L42.4Very low42.4Very low175 Ų175142.9 Ų142.992%0.91683%0.827SS**PPolyproline II helixtrans-58.9133.8-168.8-64.4168.1000113.8
346R43.5Very low42.8Very low230 Ų230144 Ų14487%0.86882%0.823SS**PPolyproline II helixtrans-74.9121.2167.3-74.1178.4171.6163.6-3.3109.6L348R346-L348 PolarHBondContact O-N 2.84Å; R346-L348 VanDerWaalsContact O-N 3.1Å
347V41.1Very low43Very low143 Ų143143.6 Ų143.687%0.86782%0.821SS**  trans-70.3102.4165.5179.70000108.1A349V347-A349 PolarHBondContact O-N 3.49Å
348L42.6Very low43.2Very low147 Ų147150 Ų15077%0.7783%0.831SS**  trans-79.799.7172.5-67.9179.4000109.4R346 V350R346-L348 PolarHBondContact O-N 2.84Å; R346-L348 VanDerWaalsContact O-N 3.1Å; L348-V350 PolarHBondContact O-N 3.08Å
349A38.7Very low43.5Very low86 Ų86145.7 Ų145.771%0.71183%0.831SS**  trans-66.9108.8165.300000109V347V347-A349 PolarHBondContact O-N 3.49Å
350V47.9Very low43.6Very low121 Ų121141 Ų14173%0.73383%0.825SS**  trans-81.7121.5170.8178.10000107.9L348 D352L348-V350 PolarHBondContact O-N 3.08Å; V350-D352 PolarHBondContact O-N 3.36Å
351N44.7Very low43.4Very low154 Ų154135.4 Ų135.482%0.82482%0.818SS**  trans-80104173.7-64.7-50.2000109.3G353N351-G353 PolarHBondContact O-N 3.45Å; N351-G353 VanDerWaalsContact O-N 3.15Å
352D47.8Very low43.9Very low158 Ų158140 Ų14085%0.84582%0.818SS**  trans-74.996.3162.3-87.4-48.4000109V350 S354V350-D352 PolarHBondContact O-N 3.36Å; D352-S354 PolarHBondContact O-N 2.94Å
353G36.7Very low44.2Very low80 Ų80142 Ų14283%0.82581%0.811SS**  trans-79.8107.4169.400000110.5N351N351-G353 PolarHBondContact O-N 3.45Å; N351-G353 VanDerWaalsContact O-N 3.15Å
354S46.3Very low44.5Very low107 Ų107143.3 Ų143.375%0.74880%0.802SS**  trans-100.7110.517048.50000111.2D352D352-S354 PolarHBondContact O-N 2.94Å
355E42.6Very low44.7Very low188 Ų188145 Ų14588%0.87980%0.803SS**  trans-74.8124.9169.6-171.4171.6111.200109.2
356V51.3Low44.6Very low129 Ų129144 Ų14478%0.78280%0.799SS**  trans-135.4129.4171.4-73.60000110.4
357D45.5Very low44.6Very low160 Ų160136.9 Ų136.986%0.85680%0.797SS**  trans-74.3157.5-167.1-112.6-47.3000114.6
358K44.4Very low44.5Very low195 Ų195136.3 Ų136.385%0.84879%0.794SS**  trans-104117178.5-61.8170.4-173.2165.20111.1
359V46.3Very low44.7Very low152 Ų152134.9 Ų134.992%0.92180%0.796SS**  trans-135.2134.3150.8-173.30000108
360A40.5Very low45Very low92 Ų92140.4 Ų140.476%0.7680%0.804SS**  trans-139136-175.600000112.2
361T43.7Very low44.7Very low125 Ų125139 Ų13977%0.76780%0.804SS**  trans-154.5117.7157.846.70000104.4
362E48.6Very low44.7Very low179 Ų179137.1 Ų137.184%0.83680%0.804SS**  61.9132.176.4-62.6-169.5159.200112.2
363D44Very low44.4Very low115 Ų115137.5 Ų137.562%0.61580%0.802SS**  cis-148172.415.3-156.519.7000115.9
364K49.3Very low44.9Very low146 Ų146143.2 Ų143.264%0.63581%0.808SS**  trans-26.4150.6173.5-61.4159-155.971.80118.9
365L50.4Low44.7Very low162 Ų162144.9 Ų144.985%0.84881%0.808SS**  -176.8147.992.6-93.8175.1000114.2
366D41.2Very low45.1Very low156 Ų156143.6 Ų143.683%0.83480%0.802SS**  trans-88.8158.8-176.6-55.7-92.4000114.6
367G42.2Very low44.7Very low80 Ų80145.2 Ų145.283%0.82580%0.799SS**  trans-162.8113.7170.900000113.2
368T39.4Very low44.4Very low131 Ų131144.2 Ų144.280%0.80479%0.79SS**  trans-114.6138.8-165.156.90000115.4
369S46.6Very low44.4Very low116 Ų116142.1 Ų142.181%0.81178%0.784SS**  trans-172.2134150.1-790000108.1
370K46Very low44Very low203 Ų203142 Ų14288%0.88378%0.778SS**  cis72.5123.427.2-161-179.1-177.6-173.60112.4
371A41.6Very low43.9Very low90 Ų90146.1 Ų146.174%0.74479%0.786SS**  cis-129-161.20.700000109.1
372S43.4Very low43.6Very low116 Ų116146 Ų14681%0.81179%0.785SS**  cis-153.6170.29.143.60000111.5
373M41.5Very low43Very low166 Ų166145.8 Ų145.882%0.81879%0.789SS**  trans-81.3154.9177.4-59145.894.900111.6
374E48.8Very low42.7Very low200 Ų200146 Ų14694%0.93580%0.795SS**  -159.4143.8129.1-110.9160.4-152.400109.2
375D42.3Very low42.5Very low142 Ų142148.2 Ų148.276%0.75981%0.807SS**  trans-89.3148.5-176.8-68.9-87.2000111.6
376E49.5Very low41.9Very low160 Ų160152.1 Ų152.175%0.74881%0.811SS**  170.1110.6121.6-87.7-129.2107.900112.6
377K43.1Very low42Very low164 Ų164149.1 Ų149.171%0.71381%0.808SS**  73.9125.2114.5-168.6171.1174.5-175.40122
378M38.6Very low42.4Very low138 Ų138153.8 Ų153.868%0.6881%0.812SS**  trans86.8130.9152.1-67-92.7-84.200121.6
379E44.6Very low42.4Very low152 Ų152157.3 Ų157.371%0.7182%0.816SS**  trans79.2105.2139-71.5170.8167.200122.7
380D38.5Very low42Very low150 Ų150154.9 Ų154.980%0.80281%0.809SS**  trans73.8135.4133.5-74.51000124.1T382D380-T382 PolarHBondContact O-N 3.41Å
381L37.9Very low41.7Very low177 Ų177151.5 Ų151.593%0.92781%0.811SS**  trans-86.392.5-170.3-66.3167000110.9L383L381-L383 PolarHBondContact O-N 3.35Å
382T38.3Very low41.6Very low122 Ų122152 Ų15275%0.74882%0.815SS**  trans-75.2123.9169.943.90000111.5D380 T384D380-T382 PolarHBondContact O-N 3.41Å; T382-T384 PolarHBondContact O-N 2.87Å
383L36.5Very low41.4Very low176 Ų176153.7 Ų153.792%0.92182%0.815SS**  trans-60.2122.6172.8-74.2164.1000110L381L381-L383 PolarHBondContact O-N 3.35Å
384T38Very low41.3Very low119 Ų119151.8 Ų151.873%0.7381%0.812SS**  trans-115.7102.7176.438.40000110.9T382 R386T382-T384 PolarHBondContact O-N 2.87Å; T384-R386 PolarHBondContact O-N 3.47Å
385E43.9Very low41.3Very low193 Ų193151.5 Ų151.590%0.90281%0.808SS**  trans-62.9113.4172.3-64.4-175.6125.500110.3A387E385-A387 VanDerWaalsContact C-N 3.29Å; E385-A387 PolarHBondContact O-N 2.92Å
386R38.5Very low41Very low244 Ų244153.4 Ų153.492%0.92181%0.812SS**  trans-78.978.1173.7-87.4-174.8166.3162.6-2111.2T384 I388T384-R386 PolarHBondContact O-N 3.47Å; R386-I388 PolarHBondContact O-N 3.49Å
387A43.4Very low40.5Very low93 Ų93150.6 Ų150.677%0.76982%0.816SS**  trans-59.2128.1165.800000110.6E385 K389E385-A387 VanDerWaalsContact C-N 3.29Å; E385-A387 PolarHBondContact O-N 2.92Å; A387-K389 PolarHBondContact O-N 3.37Å
388I49.9Very low40.5Very low178 Ų178148.8 Ų148.891%0.91382%0.821SS**  trans-75.2121.8-179.3-62172.9000109.3R386R386-I388 PolarHBondContact O-N 3.49Å
389K39.7Very low40.7Very low205 Ų205147 Ų14789%0.89183%0.829SS**  trans-127.9116.2177.8179.9-178.7-179178.80109.9A387A387-K389 PolarHBondContact O-N 3.37Å
390G37.9Very low40.8Very low65 Ų65147.5 Ų147.567%0.6784%0.836SS**  trans165.575.4172.500000117.4
391S40.5Very low40.9Very low132 Ų132148.2 Ų148.292%0.92384%0.84SS**  -176132126.9-80.30000111
392A38.8Very low40.9Very low99 Ų99143.6 Ų143.682%0.81884%0.835SS**  trans-113.2140.2173.200000109.4
393N38.9Very low40.8Very low152 Ų152141.5 Ų141.581%0.81384%0.838SS**  trans-146.4116.4160.3-169.713.1000108.6
394V39.2Very low41.2Very low126 Ų126139.5 Ų139.576%0.76483%0.833SS**  trans-121.1121.5-177.5173.60000108.6
395K49.4Very low41.5Very low195 Ų195142.9 Ų142.985%0.84884%0.84SS**  trans-140.2146.2159-71-161.7174.9-173.20110.3
396H35.6Very low41.2Very low182 Ų182143 Ų14384%0.84384%0.841SS**  trans-71.2151.4-167.2-57.3-99.7000114.8
397A39Very low41.4Very low101 Ų101140.6 Ų140.684%0.83584%0.84SS**  -167137.7112.500000111
398P43Very low41.2Very low125 Ų125144.1 Ų144.181%0.81284%0.84SS**  trans-118.3136.2173.837.8-27.1000114.8
399A44.3Very low40.5Very low102 Ų102141.5 Ų141.584%0.84383%0.832SS**  trans170.8137.2154.300000106.3
400D45.1Very low40.6Very low161 Ų161139.8 Ų139.886%0.86183%0.825SS**  -15817653.8-164.35.3000111.1
401N40.6Very low40.5Very low165 Ų165143.6 Ų143.688%0.88283%0.83SS**  trans-116.5138.7-174.5-94.2-29.1000114.1
402G39.5Very low40.6Very low81 Ų81145.2 Ų145.284%0.83583%0.827SS**  trans152.3122.4169.200000111.7
403G34.7Very low40.7Very low78 Ų78145.1 Ų145.180%0.80482%0.821SS**  cis120.593.2-2.500000112.6
404V45.4Very low40.5Very low134 Ų134148.3 Ų148.381%0.81283%0.828SS**  trans-150.4112.6158.3168.60000108
405E45Very low40.3Very low190 Ų190145.3 Ų145.389%0.88882%0.822SS**  trans38.5129.2139.3-56.2176.9178.900121.6
406E36.1Very low39.8Very low195 Ų195145.6 Ų145.691%0.91183%0.826SS**  trans-93.4138.2162.3-53.7177.8130.600109.9
407E42.6Very low39.9Very low193 Ų193145.8 Ų145.890%0.90283%0.827SS**  trans-162.5176.3141.2-127-173.7-173.900114.6
408E40.1Very low39.8Very low167 Ų167146.5 Ų146.578%0.7882%0.821SS**  trans62.675.5167.5-64.6-121.393.800118.9
409V35.8Very low40Very low123 Ų123148.5 Ų148.575%0.74582%0.82SS**  trans-63.7126.2147.9-81.80000112.1
410K42Very low40.1Very low170 Ų170149 Ų14974%0.73981%0.812SS**  trans176.3134.3130.7-93.3144-151.8150.20115.9
411N35Very low40Very low144 Ų144151.3 Ų151.377%0.7781%0.81SS**  trans62.1119.2141.9-54.8-16.4000121.4
412L43.4Very low40.3Very low166 Ų166150 Ų15087%0.86980%0.799SS**  trans17477.6143.4-97.2167.5000107.2
413S39.9Very low40.6Very low97 Ų97152.3 Ų152.368%0.67879%0.788SS**  76.3116.767.183.20000116
414K34.9Very low41.2Very low220 Ų220154.9 Ų154.996%0.95778%0.783SS**  trans69.6127.2168.7-76.8-176.8169.7-174.50118.7
415G34.6Very low41.3Very low62 Ų62158.9 Ų158.964%0.63978%0.783SS**  trans-179.367.8175.600000112.8E417G415-E417 PolarHBondContact O-N 3.06Å
416E39.8Very low41.4Very low201 Ų201157.6 Ų157.694%0.93978%0.777SS**  trans44.162.8144-59.6172.6171.700120.2
417E36.7Very low42Very low187 Ų187156.1 Ų156.187%0.87477%0.768SS**  trans-127.520.9172.8-71.6-164.8150.800115.6G415G415-E417 PolarHBondContact O-N 3.06Å
418T37.8Very low42Very low115 Ų115152.8 Ų152.871%0.70676%0.76SS**  trans-143.389.5-175.957.40000115.4
419E46Very low42.1Very low167 Ų167149.9 Ų149.978%0.7876%0.758SS**SBendtrans-160.1-52.9156.7-121.5152.9-159.900113.6Y421 Q422 E423E419-Y421 PolarHBondContact O-N 3.34Å; E419-Q422 PolarHBondContact O-N 2.99Å; E419-E423 PolarHBondContact O-N 2.85Å
420V47.9Very low42.3Very low112 Ų112150.1 Ų150.168%0.67976%0.762SS**Hα-helixtrans-54.1-31.9-171.5-176.10000114.7
421Y43.2Very low42.2Very low211 Ų211145.6 Ų145.683%0.82776%0.764SS**Hα-helixtrans-87.4-4.3179.5-87.8-79.6000115.3E419E419-Y421 PolarHBondContact O-N 3.34Å
422Q46.1Very low42.7Very low138 Ų138144.7 Ų144.765%0.64577%0.769SS**Hα-helixtrans-97.6-38.7174.4-62-167.428.400111.8E419 L424 R425E419-Q422 PolarHBondContact O-N 2.99Å; Q422-L424 VanDerWaalsContact C-N 3.34Å; Q422-L424 PolarHBondContact O-N 3.36Å; Q422-R425 WeakPolarHBondContact O-CA 3.38Å; Q422-R425 WeakPolarHBondContact O-CB 3.41Å; Q422-R425 PolarHBondContact O-N 2.89Å
423E46.8Very low42.7Very low129 Ų129145.7 Ų145.760%0.60377%0.766SS**Hα-helixtrans-64.1-35.6-177.1-166.4176.2-178.800113.1E419 R425 E426E419-E423 PolarHBondContact O-N 2.85Å; E423-R425 PolarHBondContact O-N 3.16Å; E423-E426 PolarHBondContact O-N 3.39Å
424L45.8Very low42.9Very low132 Ų132147 Ų14769%0.69177%0.772SS**Hα-helixtrans-67.4-13.7172.7-69.6175.9000113.7Q422Q422-L424 VanDerWaalsContact C-N 3.34Å; Q422-L424 PolarHBondContact O-N 3.36Å
425R48.4Very low43.2Very low218 Ų218144 Ų14482%0.82377%0.766SS**Hα-helixtrans-90.3-15.2-177.3-152.6171.9-165.3-93.3-1.7113.5Q422 E423Q422-R425 WeakPolarHBondContact O-CA 3.38Å; Q422-R425 WeakPolarHBondContact O-CB 3.41Å; Q422-R425 PolarHBondContact O-N 2.89Å; E423-R425 PolarHBondContact O-N 3.16Å
426E47.6Very low43.4Very low163 Ų163144.5 Ų144.576%0.76277%0.772SS**Hα-helixtrans-98.3-15-176-161.4163.6-14300113.2E423 V428E423-E426 PolarHBondContact O-N 3.39Å; E426-V428 PolarHBondContact O-N 2.64Å
427K46.9Very low43.5Very low164 Ų164142.1 Ų142.171%0.71377%0.77SS**SBendtrans-81.9-4-178.3-58.5-75.6177.5170.10114.8
428V42.8Very low43.5Very low123 Ų123136.2 Ų136.275%0.74576%0.76SS**  trans-113.874.1-177.3-170.10000110.7E426E426-V428 PolarHBondContact O-N 2.64Å
429S42.2Very low43.4Very low106 Ų106139.7 Ų139.774%0.74177%0.769SS**PPolyproline II helixtrans-89.5123.2173.8-75.30000111.3
430P39.6Very low43.1Very low128 Ų128137.1 Ų137.183%0.83176%0.764SS**PPolyproline II helixtrans-75.9128.2174.930.5-33.1000111S432P430-S432 PolarHBondContact O-N 2.81Å
431G40.4Very low42.7Very low74 Ų74138.2 Ų138.276%0.76376%0.762SS**PPolyproline II helixtrans-81.4117.8-174.800000114.7
432S45.4Very low42.6Very low125 Ų125136.1 Ų136.187%0.87476%0.757SS**  trans69.7137.6150.4-56.60000119.7P430P430-S432 PolarHBondContact O-N 2.81Å
433K44.6Very low42.1Very low188 Ų188137.4 Ų137.482%0.81777%0.768SS**  trans-97.7162.2-177.2-51169.4-175171.70112.3
434P43.2Very low41.9Very low123 Ų123140.6 Ų140.680%0.79978%0.783SS**  trans-105.1125151.134.7-24.7000112.2
435D41.9Very low41.5Very low157 Ų157142.9 Ų142.984%0.8479%0.787SS**  trans-83.4153.7148.1-50.9-69.2000106.5
436G39Very low41Very low73 Ų73142 Ų14275%0.75378%0.784SS**  cis161.9170.712.600000105
437V41Very low40.6Very low151 Ų151141.9 Ų141.992%0.91578%0.783SS**  cis-159.51518.8171.90000107.5
438G36.4Very low40.2Very low64 Ų64138 Ų13866%0.6678%0.782SS**  trans83.1140.1162.300000116.4
439E37.2Very low40.3Very low188 Ų188139.4 Ų139.488%0.87979%0.791SS**  cis79.8133.943.9-74.7-161.9-156.600115
440V38.4Very low39.9Very low113 Ų113138 Ų13869%0.68579%0.793SS**  cis-162.6160.8-16.7820000111.4
441E39.8Very low39.9Very low135 Ų135136.8 Ų136.863%0.63179%0.794SS**  trans72.1150.8156.4-81.9-16412800125.3
442K42Very low39.8Very low166 Ų166139.4 Ų139.472%0.72280%0.8SS**  trans73.3104.8144-77.9159.5-178.7147.30121.4
443N35.7Very low39.5Very low165 Ų165137 Ų13788%0.88280%0.795SS**  trans-68.8136.7152-59.7-59.4000110.9
444E41.2Very low39.4Very low196 Ų196137.7 Ų137.792%0.91680%0.801SS**  trans-147.6113.5140.3-133.5-179.9154.400115.7
445K37.3Very low39.1Very low181 Ų181143.9 Ų143.979%0.78781%0.809SS**  trans-26.2125.2159.8174.4-169.7-177.8179.70116.9
446R39Very low38.7Very low200 Ų200140 Ų14076%0.75581%0.806SS**  -175.1147126.3-101.5162.7-159.7-84.511.3114.3
447E38.2Very low38.7Very low159 Ų159145.1 Ų145.174%0.74381%0.81SS**  trans26.7144.3139.6-68.4163-127.700121.3
448A39.8Very low38.6Very low84 Ų84144.5 Ų144.569%0.69481%0.806SS**  cis-170.5-164.2-7.100000109.6
449V43.2Very low38.6Very low152 Ų152144.2 Ų144.292%0.92180%0.803SS**  trans72.2124.7177.2-167.30000113.2
450G34.9Very low38.8Very low76 Ų76141.9 Ų141.978%0.78480%0.801SS**  trans-134.4-178.7-17800000112.9
451A39.9Very low38.7Very low103 Ų103139.9 Ų139.985%0.85180%0.804SS**  trans-136.6154.8167.200000109.5
452S36.9Very low38.6Very low129 Ų129140.9 Ų140.990%0.90281%0.808SS**  trans-75.6135.7-172.8500000113.7
453G40.3Very low38.5Very low74 Ų74137.6 Ų137.676%0.76380%0.804SS**  trans-148.4146.216500000109.5
454E43Very low39Very low202 Ų202139 Ų13994%0.94480%0.802SS**  trans-79.2156.4-163.6-75178.879.800115.8
455R35.3Very low39.6Very low254 Ų254132.5 Ų132.596%0.95879%0.788SS**  trans-81.4115176-72.1174.7-75.6-130.3-4.9110.1
456G34.3Very low40.1Very low76 Ų76133.1 Ų133.178%0.78479%0.786SS**  trans-13771.8-179.900000113.4
457H40Very low40.6Very low179 Ų179129.2 Ų129.283%0.82978%0.776SS**  trans31.6109.6164.5-145.9-58.9000118.2G459H457-G459 PolarHBondContact O-N 2.68Å
458V37.5Very low41.7Very low138 Ų138129.4 Ų129.484%0.83677%0.769SS**  trans-60.2115.4164.1177.90000108.4
459G36.9Very low42.9Very low59 Ų59130.4 Ų130.461%0.60876%0.763SS**PPolyproline II helixtrans-73.1129.6174.800000110.5H457 G461H457-G459 PolarHBondContact O-N 2.68Å; G459-G461 PolarHBondContact O-N 2.91Å
460V41.1Very low44.3Very low138 Ų138129.8 Ų129.884%0.83675%0.75SS**PPolyproline II helixtrans-61.5127.6171.1177.50000108.1E462V460-E462 PolarHBondContact O-N 2.93Å; V460-E462 VanDerWaalsContact O-N 3.16Å
461G36.2Very low46.4Very low71 Ų71132.9 Ų132.973%0.73275%0.748SS**PPolyproline II helixtrans-59.6117.7-174.700000112.3G459G459-G461 PolarHBondContact O-N 2.91Å
462E37.2Very low48.4Very low156 Ų156129.9 Ų129.973%0.72972%0.717SS**PPolyproline II helixtrans-61.9144.3179.7-69.8179.297.400112.3V460 K464V460-E462 PolarHBondContact O-N 2.93Å; V460-E462 VanDerWaalsContact O-N 3.16Å; E462-K464 VanDerWaalsContact C-N 3.31Å; E462-K464 PolarHBondContact O-N 3.42Å
463P41.3Very low50.9Low97 Ų97127.8 Ų127.863%0.6370%0.699SS**  trans-73.583.5176.331.5-35.3000110.8G465 R466P463-G465 PolarHBondContact O-N 2.92Å; P463-R466 PolarHBondContact O-N 3.48Å
464K46.5Very low53.1Low195 Ų195130.1 Ų130.185%0.84869%0.693SS**THydrogen-bonded Turntrans-53.2-2.7-177.2-69.3-174.2176.4-178.70116.8E462E462-K464 VanDerWaalsContact C-N 3.31Å; E462-K464 PolarHBondContact O-N 3.42Å
465G52Low55.4Low60 Ų60122.7 Ų122.762%0.61967%0.671SS**THydrogen-bonded Turntrans-80.8-25.317800000115.6P463P463-G465 PolarHBondContact O-N 2.92Å
466R49Very low57.9Low194 Ų194115.3 Ų115.373%0.73265%0.648SS**G310 helixtrans-75.9-42.6-169.4-72.8-174.9177.2-100-1.1114.3P463 R468P463-R466 PolarHBondContact O-N 3.48Å; R466-R468 PolarHBondContact O-N 2.9Å; R466-R468 VanDerWaalsContact O-N 3.1Å
467H48.4Very low60.7Low118 Ų118117 Ų11755%0.54663%0.63SS.*G310 helixtrans-75.24.1-173.4-63.8-54.8000115.9E470 N471H467-E470 IonicContact CE1-OE2 3.82Å; H467-E470 IonicContact CG-OE2 3.84Å; H467-E470 IonicContact ND1-OE2 2.88Å; H467-E470 PolarHBondContact ND1-OE2 2.9Å; H467-N471 PolarHBondContact O-ND2 2.78Å
468R62.1Low63.2Low162 Ų162113.5 Ų113.561%0.61161%0.613SS**G310 helixtrans-82.2-33.1-179.7-144.6173-166.3-107.7-4112.7R466 M472R466-R468 PolarHBondContact O-N 2.9Å; R466-R468 VanDerWaalsContact O-N 3.1Å; R468-M472 HydrophobicContact CG-SD 4.2Å; R468-M472 VanDerWaalsContact O-CG 3.28Å; R468-M472 WeakPolarHBondContact O-CG 3.45Å
469L64.9Low65.7Low106 Ų106111.4 Ų111.456%0.55560%0.6SS**THydrogen-bonded Turntrans-74.3-27.4-178.3-67.8168.3000113.3N471L469-N471 VanDerWaalsContact C-N 3.3Å; L469-N471 PolarHBondContact O-N 2.82Å
470E72.6Confident68.2Low139 Ų139111.9 Ų111.965%0.6559%0.586SS**THydrogen-bonded Turntrans-77-16.1-173.7-61172.2133.900113.1H467H467-E470 IonicContact CE1-OE2 3.82Å; H467-E470 IonicContact CG-OE2 3.84Å; H467-E470 IonicContact ND1-OE2 2.88Å; H467-E470 PolarHBondContact ND1-OE2 2.9Å
471N79.7Confident70.5Confident140 Ų140108 Ų10875%0.74956%0.56SS**SBendtrans-122.43.9-173.8-62.3-57.5000113.9H467 L469H467-N471 PolarHBondContact O-ND2 2.78Å; L469-N471 VanDerWaalsContact C-N 3.3Å; L469-N471 PolarHBondContact O-N 2.82Å
472M80.5Confident73.1Confident40 Ų40110.4 Ų110.420%0.19755%0.553CS.*  trans-86.4145.8179.5-86.8162.851.500111.6R468 E476 W477 Q480R468-M472 HydrophobicContact CG-SD 4.2Å; R468-M472 VanDerWaalsContact O-CG 3.28Å; R468-M472 WeakPolarHBondContact O-CG 3.45Å; M472-E476 HydrophobicContact CB-CB 4.21Å; M472-E476 VanDerWaalsContact CE-C 3.48Å; M472-E476 HydrophobicContact CE-CB 4.01Å; M472-E476 WeakPolarHBondContact CE-O 3.36Å; M472-E476 HydrophobicContact CG-CB 4.16Å; M472-W477 HydrophobicContact CE-CB 4.3Å; M472-Q480 HydrophobicContact CE-CB 3.53Å; M472-Q480 HydrophobicContact CE-CG 3.86Å
473T89.4Confident75.8Confident86 Ų86110 Ų11053%0.52855%0.549SS..  trans-67.7158.116763.60000111G475 E476 W477T473-G475 PolarHBondContact O-N 3.18Å; T473-E476 WeakPolarHBondContact CB-OE2 3.4Å; T473-E476 WeakPolarHBondContact CG2-OE2 3.27Å; T473-E476 PolarHBondContact N-OE2 3.01Å; T473-E476 PolarHBondContact O-N 3.39Å; T473-E476 VanDerWaalsContact OG1-CG 3.29Å; T473-E476 WeakPolarHBondContact OG1-CG 3.34Å; T473-E476 PolarHBondContact OG1-N 3.04Å; T473-E476 PolarHBondContact OG1-OE2 3.33Å; T473-W477 PolarHBondContact O-N 3.48Å
474L87.3Confident78.2Confident122 Ų122111.4 Ų111.464%0.63954%0.542SS*.Hα-helixtrans-59.1-35.5177.8-176.261.5000112.4W477 F478L474-W477 HydrophobicContact CD1-CE3 4.23Å; L474-W477 WeakPolarHBondContact O-CB 3.37Å; L474-W477 PolarHBondContact O-N 2.9Å; L474-F478 HydrophobicContact CD1-CD2 4.28Å; L474-F478 HydrophobicContact CD1-CE2 3.88Å; L474-F478 HydrophobicContact CD2-CE2 4.38Å; L474-F478 HydrophobicContact CG-CD2 4.13Å; L474-F478 HydrophobicContact CG-CE2 3.87Å; L474-F478 VanDerWaalsContact O-CD2 3.24Å; L474-F478 WeakPolarHBondContact O-CD2 3.49Å; L474-F478 PolarHBondContact O-N 3.35Å
475G90.3Very high80.4Confident46 Ų46106.5 Ų106.547%0.47453%0.525SS..Hα-helixtrans-65.8-43.9175.300000113T473 W477 F478 V479T473-G475 PolarHBondContact O-N 3.18Å; G475-W477 VanDerWaalsContact C-N 3.28Å; G475-W477 PolarHBondContact O-N 3.45Å; G475-F478 PolarHBondContact O-N 2.82Å; G475-V479 PolarHBondContact O-N 2.9Å; G475-V479 VanDerWaalsContact O-N 3.13Å
476E89.6Confident82.3Confident100 Ų100108.6 Ų108.647%0.46752%0.521SS..Hα-helixtrans-63.6-35.1172.9-69.6165.411600111.8M472 T473 V479 Q480M472-E476 HydrophobicContact CB-CB 4.21Å; M472-E476 VanDerWaalsContact CE-C 3.48Å; M472-E476 HydrophobicContact CE-CB 4.01Å; M472-E476 WeakPolarHBondContact CE-O 3.36Å; M472-E476 HydrophobicContact CG-CB 4.16Å; T473-E476 WeakPolarHBondContact CB-OE2 3.4Å; T473-E476 WeakPolarHBondContact CG2-OE2 3.27Å; T473-E476 PolarHBondContact N-OE2 3.01Å; T473-E476 PolarHBondContact O-N 3.39Å; T473-E476 VanDerWaalsContact OG1-CG 3.29Å; T473-E476 WeakPolarHBondContact OG1-CG 3.34Å; T473-E476 PolarHBondContact OG1-N 3.04Å; T473-E476 PolarHBondContact OG1-OE2 3.33Å; E476-V479 PolarHBondContact O-N 3.22Å; E476-Q480 WeakPolarHBondContact O-CB 3.4Å; E476-Q480 PolarHBondContact O-N 2.81Å
477W91.7Very high84.4Confident110 Ų110101.5 Ų101.542%0.41750%0.504SS..Hα-helixtrans-62.4-43.2174.9-178.888.8000112M472 T473 L474 G475 Q480 I481M472-W477 HydrophobicContact CE-CB 4.3Å; T473-W477 PolarHBondContact O-N 3.48Å; L474-W477 HydrophobicContact CD1-CE3 4.23Å; L474-W477 WeakPolarHBondContact O-CB 3.37Å; L474-W477 PolarHBondContact O-N 2.9Å; G475-W477 VanDerWaalsContact C-N 3.28Å; G475-W477 PolarHBondContact O-N 3.45Å; W477-Q480 PolarHBondContact O-N 3.18Å; W477-I481 HydrophobicContact CE3-CG2 4.33Å; W477-I481 HydrophobicContact CH2-CG2 4.28Å; W477-I481 HydrophobicContact CZ3-CG2 4.16Å; W477-I481 WeakPolarHBondContact O-CG2 3.44Å; W477-I481 PolarHBondContact O-N 2.85Å
478F92.3Very high86.5Confident106 Ų10699.6 Ų99.647%0.46549%0.494SS..Hα-helixtrans-59.8-50.7173.3-83.6-70.8000112L474 G475 Q480 I481 E482L474-F478 HydrophobicContact CD1-CD2 4.28Å; L474-F478 HydrophobicContact CD1-CE2 3.88Å; L474-F478 HydrophobicContact CD2-CE2 4.38Å; L474-F478 HydrophobicContact CG-CD2 4.13Å; L474-F478 HydrophobicContact CG-CE2 3.87Å; L474-F478 VanDerWaalsContact O-CD2 3.24Å; L474-F478 WeakPolarHBondContact O-CD2 3.49Å; L474-F478 PolarHBondContact O-N 3.35Å; G475-F478 PolarHBondContact O-N 2.82Å; F478-Q480 VanDerWaalsContact C-N 3.27Å; F478-Q480 PolarHBondContact O-N 3.16Å; F478-I481 WeakPolarHBondContact O-CG2 3.36Å; F478-I481 PolarHBondContact O-N 2.91Å; F478-E482 WeakPolarHBondContact O-CB 3.15Å; F478-E482 WeakPolarHBondContact O-CG 3.3Å; F478-E482 PolarHBondContact O-N 3.31Å
479V91.1Very high87.9Confident94 Ų9497.1 Ų97.157%0.5749%0.493SS*.Hα-helixtrans-60.5-36.5177.4175.90000112G475 E476 K483G475-V479 PolarHBondContact O-N 2.9Å; G475-V479 VanDerWaalsContact O-N 3.13Å; E476-V479 PolarHBondContact O-N 3.22Å; V479-K483 WeakPolarHBondContact O-CB 3.05Å; V479-K483 PolarHBondContact O-N 3.04Å
480Q88.7Confident89.3Confident69 Ų6997.1 Ų97.132%0.32249%0.49SS..Hα-helixtrans-75.8-33.1-179.6-176.459.985.700113M472 E476 W477 F478 Y484M472-Q480 HydrophobicContact CE-CB 3.53Å; M472-Q480 HydrophobicContact CE-CG 3.86Å; E476-Q480 WeakPolarHBondContact O-CB 3.4Å; E476-Q480 PolarHBondContact O-N 2.81Å; W477-Q480 PolarHBondContact O-N 3.18Å; F478-Q480 VanDerWaalsContact C-N 3.27Å; F478-Q480 PolarHBondContact O-N 3.16Å; Q480-Y484 WeakPolarHBondContact O-CB 3.26Å; Q480-Y484 PolarHBondContact O-N 3.32Å; Q480-Y484 VanDerWaalsContact O-N 3.09Å
481I90.3Very high90.3Very high56 Ų5695.8 Ų95.829%0.28748%0.484SS..Hα-helixtrans-78-37.1174.9-162.665.7000111.4W477 F478 K483 Y484 L485W477-I481 HydrophobicContact CE3-CG2 4.33Å; W477-I481 HydrophobicContact CH2-CG2 4.28Å; W477-I481 HydrophobicContact CZ3-CG2 4.16Å; W477-I481 WeakPolarHBondContact O-CG2 3.44Å; W477-I481 PolarHBondContact O-N 2.85Å; F478-I481 WeakPolarHBondContact O-CG2 3.36Å; F478-I481 PolarHBondContact O-N 2.91Å; I481-K483 PolarHBondContact O-N 2.81Å; I481-Y484 HydrophobicContact CD1-CD1 4.01Å; I481-Y484 PolarHBondContact O-N 2.84Å; I481-L485 HydrophobicContact CG1-CD1 4.27Å; I481-L485 HydrophobicContact CG1-CG 4.43Å; I481-L485 WeakPolarHBondContact O-CB 3.23Å; I481-L485 VanDerWaalsContact O-CG 3.28Å; I481-L485 WeakPolarHBondContact O-CG 3.41Å; I481-L485 PolarHBondContact O-N 3.06Å
482E91.1Very high91Very high122 Ų12291.9 Ų91.957%0.5747%0.471SS*.Hα-helixtrans-56.6-49.9169.5-75.7174.8171.900111F478 Y484 L485 L486F478-E482 WeakPolarHBondContact O-CB 3.15Å; F478-E482 WeakPolarHBondContact O-CG 3.3Å; F478-E482 PolarHBondContact O-N 3.31Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3.27Å; E482-L485 PolarHBondContact O-N 3.44Å; E482-L486 WeakPolarHBondContact O-CB 3.31Å; E482-L486 PolarHBondContact O-N 3.35Å
483K92.3Very high91.7Very high149 Ų14992.1 Ų92.165%0.64848%0.48SS*.Hα-helixtrans-62.3-34.3176.4-176.2167.2-176.5167.80113.1V479 I481 A487V479-K483 WeakPolarHBondContact O-CB 3.05Å; V479-K483 PolarHBondContact O-N 3.04Å; I481-K483 PolarHBondContact O-N 2.81Å; K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 2.74Å; K483-A487 VanDerWaalsContact O-N 3.12Å
484Y92.5Very high91.9Very high126 Ų12694.9 Ų94.949%0.49449%0.487SS..Hα-helixtrans-69.7-43175.6175.5-94.4000112.1Q480 I481 E482 A487 K488Q480-Y484 WeakPolarHBondContact O-CB 3.26Å; Q480-Y484 PolarHBondContact O-N 3.32Å; Q480-Y484 VanDerWaalsContact O-N 3.09Å; I481-Y484 HydrophobicContact CD1-CD1 4.01Å; I481-Y484 PolarHBondContact O-N 2.84Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3.27Å; Y484-A487 PolarHBondContact O-N 3.23Å; Y484-K488 HydrophobicContact CD1-CG 4.5Å; Y484-K488 HydrophobicContact CE1-CG 3.99Å; Y484-K488 HydrophobicContact CE2-CG 4.29Å; Y484-K488 WeakPolarHBondContact O-CB 3.27Å; Y484-K488 PolarHBondContact O-N 3.03Å
485L92.1Very high92.3Very high92 Ų9296.5 Ų96.548%0.48249%0.489SS..Hα-helixtrans-66.7-40.6177.3-70.3169.8000111.3I481 E482 K488 N489I481-L485 HydrophobicContact CG1-CD1 4.27Å; I481-L485 HydrophobicContact CG1-CG 4.43Å; I481-L485 WeakPolarHBondContact O-CB 3.23Å; I481-L485 VanDerWaalsContact O-CG 3.28Å; I481-L485 WeakPolarHBondContact O-CG 3.41Å; I481-L485 PolarHBondContact O-N 3.06Å; E482-L485 PolarHBondContact O-N 3.44Å; L485-K488 PolarHBondContact O-N 3.08Å; L485-N489 WeakPolarHBondContact O-CB 3.21Å; L485-N489 PolarHBondContact O-N 2.92Å; L485-N489 PolarHBondContact O-ND2 2.84Å
486L93Very high92.5Very high103 Ų10396.9 Ų96.954%0.53949%0.487SS..Hα-helixtrans-58.5-53.1173.3-164.979.6000110.7E482 K488 N489 E490E482-L486 WeakPolarHBondContact O-CB 3.31Å; E482-L486 PolarHBondContact O-N 3.35Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 2.86Å; L486-N489 WeakPolarHBondContact O-CB 3.48Å; L486-N489 PolarHBondContact O-N 3.42Å; L486-E490 WeakPolarHBondContact O-CG 3.46Å; L486-E490 PolarHBondContact O-N 3.18Å
487A93Very high92.8Very high46 Ų4696.6 Ų96.638%0.3849%0.488SS..Hα-helixtrans-61.3-32178.400000113.2K483 Y484 E491K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 2.74Å; K483-A487 VanDerWaalsContact O-N 3.12Å; Y484-A487 PolarHBondContact O-N 3.23Å; A487-E491 WeakPolarHBondContact O-CB 3.35Å; A487-E491 PolarHBondContact O-N 3.34Å
488K91.2Very high92.9Very high78 Ų7893.6 Ų93.634%0.33949%0.487SS..Hα-helixtrans-75.4-31.4174.2-82.7-67.4177.3-156.40113.7Y484 L485 L486 E491 A492Y484-K488 HydrophobicContact CD1-CG 4.5Å; Y484-K488 HydrophobicContact CE1-CG 3.99Å; Y484-K488 HydrophobicContact CE2-CG 4.29Å; Y484-K488 WeakPolarHBondContact O-CB 3.27Å; Y484-K488 PolarHBondContact O-N 3.03Å; L485-K488 PolarHBondContact O-N 3.08Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 2.86Å; K488-E491 IonicContact NZ-OE1 2.73Å; K488-E491 PolarHBondContact NZ-OE1 3.45Å; K488-E491 IonicContact NZ-OE2 2.64Å; K488-E491 PolarHBondContact NZ-OE2 3.22Å; K488-A492 WeakPolarHBondContact O-CB 3.42Å; K488-A492 PolarHBondContact O-N 2.91Å
489N92.6Very high93.1Very high110 Ų11093.1 Ų93.159%0.58849%0.486SS*.Hα-helixtrans-71.6-37.6171.4-68.3-18.8000111.1L485 L486 A492 A493L485-N489 WeakPolarHBondContact O-CB 3.21Å; L485-N489 PolarHBondContact O-N 2.92Å; L485-N489 PolarHBondContact O-ND2 2.84Å; L486-N489 WeakPolarHBondContact O-CB 3.48Å; L486-N489 PolarHBondContact O-N 3.42Å; N489-A492 PolarHBondContact O-N 3.06Å; N489-A493 VanDerWaalsContact O-CB 3.27Å; N489-A493 WeakPolarHBondContact O-CB 3.49Å; N489-A493 PolarHBondContact O-N 3.34Å
490E93.2Very high93.3Very high106 Ų10693.3 Ų93.350%0.49549%0.487SS..Hα-helixtrans-60.4-52.2171.3-71.3166.2174.600110.9L486 A492 A493 E494L486-E490 WeakPolarHBondContact O-CG 3.46Å; L486-E490 PolarHBondContact O-N 3.18Å; E490-A492 VanDerWaalsContact C-N 3.3Å; E490-A492 PolarHBondContact O-N 2.87Å; E490-A493 PolarHBondContact O-N 3.43Å; E490-A493 VanDerWaalsContact O-N 3.11Å; E490-E494 WeakPolarHBondContact O-CG 3.17Å; E490-E494 PolarHBondContact O-N 3.16Å
491E94Very high93.7Very high110 Ų11094.8 Ų94.851%0.51449%0.494SS..Hα-helixtrans-56.3-40.8175.8-177.5-174.8131.200112.6A487 K488 K495A487-E491 WeakPolarHBondContact O-CB 3.35Å; A487-E491 PolarHBondContact O-N 3.34Å; K488-E491 IonicContact NZ-OE1 2.73Å; K488-E491 PolarHBondContact NZ-OE1 3.45Å; K488-E491 IonicContact NZ-OE2 2.64Å; K488-E491 PolarHBondContact NZ-OE2 3.22Å; E491-K495 WeakPolarHBondContact O-CB 3.3Å; E491-K495 PolarHBondContact O-N 3.11Å; E491-K495 VanDerWaalsContact O-N 3.12Å
492A94.4Very high93.9Very high58 Ų5898 Ų9848%0.47951%0.508SS..Hα-helixtrans-69.5-39.5176.300000112.6K488 N489 E490 A496K488-A492 WeakPolarHBondContact O-CB 3.42Å; K488-A492 PolarHBondContact O-N 2.91Å; N489-A492 PolarHBondContact O-N 3.06Å; E490-A492 VanDerWaalsContact C-N 3.3Å; E490-A492 PolarHBondContact O-N 2.87Å; A492-A496 WeakPolarHBondContact O-CB 3.21Å; A492-A496 PolarHBondContact O-N 3.12Å
493A94.9Very high94.1Very high46 Ų4698.2 Ų98.238%0.3851%0.507SS..Hα-helixtrans-68.5-45.4177.400000111.7N489 E490 K495 A496 I497N489-A493 VanDerWaalsContact O-CB 3.27Å; N489-A493 WeakPolarHBondContact O-CB 3.49Å; N489-A493 PolarHBondContact O-N 3.34Å; E490-A493 PolarHBondContact O-N 3.43Å; E490-A493 VanDerWaalsContact O-N 3.11Å; A493-K495 VanDerWaalsContact C-N 3.31Å; A493-K495 PolarHBondContact O-N 3.06Å; A493-A496 PolarHBondContact O-N 2.83Å; A493-I497 WeakPolarHBondContact O-CB 3.47Å; A493-I497 WeakPolarHBondContact O-CD1 3.36Å; A493-I497 VanDerWaalsContact O-CG1 3.23Å; A493-I497 WeakPolarHBondContact O-CG1 3.35Å; A493-I497 PolarHBondContact O-N 3.25Å
494E94Very high94.3Very high143 Ų14396.8 Ų96.867%0.66850%0.502SS*.Hα-helixtrans-57.6-44.3174-74.2-169.5158.400111.4E490 I497 A498E490-E494 WeakPolarHBondContact O-CG 3.17Å; E490-E494 PolarHBondContact O-N 3.16Å; E494-I497 PolarHBondContact O-N 3.45Å; E494-A498 WeakPolarHBondContact O-CB 3.44Å; E494-A498 PolarHBondContact O-N 3.36Å
495K96.1Very high94.4Very high157 Ų15797.2 Ų97.268%0.68350%0.503SS*.Hα-helixtrans-61.2-45.4176.1-175179.5178.3-177.10112.4E491 A493 A498 E499E491-K495 WeakPolarHBondContact O-CB 3.3Å; E491-K495 PolarHBondContact O-N 3.11Å; E491-K495 VanDerWaalsContact O-N 3.12Å; A493-K495 VanDerWaalsContact C-N 3.31Å; A493-K495 PolarHBondContact O-N 3.06Å; K495-A498 PolarHBondContact O-N 3.3Å; K495-E499 PolarHBondContact O-N 3.41Å
496A94.6Very high94.5Very high54 Ų54101.4 Ų101.445%0.44651%0.513SS..Hα-helixtrans-64.7-40.9177.500000112A492 A493 E499 V500A492-A496 WeakPolarHBondContact O-CB 3.21Å; A492-A496 PolarHBondContact O-N 3.12Å; A493-A496 PolarHBondContact O-N 2.83Å; A496-E499 PolarHBondContact O-N 3.1Å; A496-V500 WeakPolarHBondContact O-CG2 3.28Å; A496-V500 PolarHBondContact O-N 3.26Å
497I95.1Very high94.6Very high93 Ų93102.5 Ų102.548%0.47751%0.513SS..Hα-helixtrans-63.4-42.3175.1-69.9164.2000110.6A493 E494 V500 Q501A493-I497 WeakPolarHBondContact O-CB 3.47Å; A493-I497 WeakPolarHBondContact O-CD1 3.36Å; A493-I497 VanDerWaalsContact O-CG1 3.23Å; A493-I497 WeakPolarHBondContact O-CG1 3.35Å; A493-I497 PolarHBondContact O-N 3.25Å; E494-I497 PolarHBondContact O-N 3.45Å; I497-V500 PolarHBondContact O-N 2.89Å; I497-Q501 HydrophobicContact CG2-CG 4.36Å; I497-Q501 WeakPolarHBondContact O-CB 3.27Å; I497-Q501 VanDerWaalsContact O-CG 3.3Å; I497-Q501 WeakPolarHBondContact O-CG 3.47Å; I497-Q501 PolarHBondContact O-N 2.64Å
498A95.3Very high94.6Very high48 Ų48102.4 Ų102.440%0.39751%0.509SS..Hα-helixtrans-62.1-43.1177.600000112.3E494 K495 Q501 E502E494-A498 WeakPolarHBondContact O-CB 3.44Å; E494-A498 PolarHBondContact O-N 3.36Å; K495-A498 PolarHBondContact O-N 3.3Å; A498-Q501 PolarHBondContact O-N 2.73Å; A498-E502 WeakPolarHBondContact O-CB 3.5Å; A498-E502 PolarHBondContact O-N 3.13Å
499E95.4Very high94.7Very high96 Ų96103.5 Ų103.545%0.44952%0.516SS..Hα-helixtrans-63.4-43.1176.3-167.4-167.7131.500111.9K495 A496 E502 K503K495-E499 PolarHBondContact O-N 3.41Å; A496-E499 PolarHBondContact O-N 3.1Å; E499-E502 PolarHBondContact O-N 2.85Å; E499-K503 HydrophobicContact CG-CD 4.44Å; E499-K503 WeakPolarHBondContact O-CG 3.44Å; E499-K503 PolarHBondContact O-N 3.07Å; E499-K503 WeakPolarHBondContact OE1-CE 3.39Å; E499-K503 IonicContact OE1-NZ 2.6Å; E499-K503 PolarHBondContact OE1-NZ 2.61Å
500V96.2Very high94.7Very high98 Ų98102.1 Ų102.159%0.59451%0.505SS*.Hα-helixtrans-65.4-41.5175.5171.20000111.3A496 I497 E502 K503 H504A496-V500 WeakPolarHBondContact O-CG2 3.28Å; A496-V500 PolarHBondContact O-N 3.26Å; I497-V500 PolarHBondContact O-N 2.89Å; V500-E502 VanDerWaalsContact C-N 3.34Å; V500-E502 PolarHBondContact O-N 3.3Å; V500-K503 PolarHBondContact O-N 2.97Å; V500-H504 WeakPolarHBondContact O-CB 3.36Å; V500-H504 PolarHBondContact O-N 2.95Å
501Q95.7Very high94.7Very high100 Ų10099.3 Ų99.347%0.46750%0.496SS..Hα-helixtrans-64-37.9174.7-75.1-177.820.800112.2I497 A498 H504 R505I497-Q501 HydrophobicContact CG2-CG 4.36Å; I497-Q501 WeakPolarHBondContact O-CB 3.27Å; I497-Q501 VanDerWaalsContact O-CG 3.3Å; I497-Q501 WeakPolarHBondContact O-CG 3.47Å; I497-Q501 PolarHBondContact O-N 2.64Å; A498-Q501 PolarHBondContact O-N 2.73Å; Q501-H504 PolarHBondContact O-N 3.5Å; Q501-R505 WeakPolarHBondContact O-CG 3.45Å; Q501-R505 PolarHBondContact O-N 3.12Å
502E96Very high94.6Very high123 Ų12399.3 Ų99.358%0.57549%0.494SS*.Hα-helixtrans-66.3-46.9176.5-175.2164.8-144.900112A498 E499 V500 H504 R505 W506A498-E502 WeakPolarHBondContact O-CB 3.5Å; A498-E502 PolarHBondContact O-N 3.13Å; E499-E502 PolarHBondContact O-N 2.85Å; V500-E502 VanDerWaalsContact C-N 3.34Å; V500-E502 PolarHBondContact O-N 3.3Å; E502-H504 VanDerWaalsContact C-N 3.27Å; E502-H504 PolarHBondContact O-N 2.91Å; E502-R505 WeakPolarHBondContact O-CB 3.33Å; E502-R505 PolarHBondContact O-N 3.07Å; E502-R505 VanDerWaalsContact O-N 3.16Å; E502-W506 PolarHBondContact O-N 3.49Å
503K95Very high94.5Very high126 Ų12699.2 Ų99.255%0.54849%0.487SS..Hα-helixtrans-57.7-40.5172.6-73.5168.9173.2174.30111.8E499 V500 W506 F507E499-K503 HydrophobicContact CG-CD 4.44Å; E499-K503 WeakPolarHBondContact O-CG 3.44Å; E499-K503 PolarHBondContact O-N 3.07Å; E499-K503 WeakPolarHBondContact OE1-CE 3.39Å; E499-K503 IonicContact OE1-NZ 2.6Å; E499-K503 PolarHBondContact OE1-NZ 2.61Å; V500-K503 PolarHBondContact O-N 2.97Å; K503-W506 PolarHBondContact O-N 2.94Å; K503-F507 WeakPolarHBondContact O-CB 3.43Å; K503-F507 PolarHBondContact O-N 3.25Å
504H95.8Very high94.3Very high119 Ų119101.3 Ų101.355%0.55149%0.492SS*.Hα-helixtrans-66.9-41.7175-177.378.4000112.9V500 Q501 E502 F507 C508V500-H504 WeakPolarHBondContact O-CB 3.36Å; V500-H504 PolarHBondContact O-N 2.95Å; Q501-H504 PolarHBondContact O-N 3.5Å; E502-H504 VanDerWaalsContact C-N 3.27Å; E502-H504 PolarHBondContact O-N 2.91Å; H504-F507 PolarHBondContact O-N 3.35Å; H504-C508 WeakPolarHBondContact O-CB 3.48Å; H504-C508 PolarHBondContact O-N 2.86Å; H504-C508 PolarHBondContact O-SG 3.09Å
505R94.8Very high93.9Very high136 Ų136101.6 Ų101.651%0.51349%0.491SS..Hα-helixtrans-58.5-47.7172.8-76-175.2-65.4-105.33.4110.9Q501 E502 C508 E509Q501-R505 WeakPolarHBondContact O-CG 3.45Å; Q501-R505 PolarHBondContact O-N 3.12Å; E502-R505 WeakPolarHBondContact O-CB 3.33Å; E502-R505 PolarHBondContact O-N 3.07Å; E502-R505 VanDerWaalsContact O-N 3.16Å; R505-C508 PolarHBondContact O-N 2.84Å; R505-E509 PolarHBondContact O-N 3.42Å
506W93.7Very high93.4Very high180 Ų18099.6 Ų99.668%0.68249%0.487SS*.Hα-helixtrans-62.5-43.6179.1-171.589.2000112.5E502 K503 C508 E509 H510E502-W506 PolarHBondContact O-N 3.49Å; K503-W506 PolarHBondContact O-N 2.94Å; W506-C508 PolarHBondContact O-N 3.18Å; W506-E509 PolarHBondContact O-N 3.3Å; W506-H510 WeakPolarHBondContact O-CB 3.44Å; W506-H510 PolarHBondContact O-N 3.29Å
507F94.9Very high92.9Very high125 Ų125103.9 Ų103.955%0.54850%0.496SS..Hα-helixtrans-60-45.1173.8177.4-98.3000112.1K503 H504 E509 H510 V511K503-F507 WeakPolarHBondContact O-CB 3.43Å; K503-F507 PolarHBondContact O-N 3.25Å; H504-F507 PolarHBondContact O-N 3.35Å; F507-E509 PolarHBondContact O-N 3.06Å; F507-H510 WeakPolarHBondContact O-CB 3.35Å; F507-H510 PolarHBondContact O-N 3.47Å; F507-V511 HydrophobicContact CD1-CG2 4.29Å; F507-V511 HydrophobicContact CE1-CG2 3.87Å; F507-V511 HydrophobicContact CE2-CG2 4.16Å; F507-V511 HydrophobicContact CZ-CG2 3.8Å; F507-V511 WeakPolarHBondContact O-CG2 3.39Å; F507-V511 PolarHBondContact O-N 3.43Å
508C93.9Very high92.4Very high45 Ų45108.1 Ų108.130%0.30451%0.51SS..Hα-helixtrans-63.2-40.6177.6-78.20000112.7H504 R505 W506 K512H504-C508 WeakPolarHBondContact O-CB 3.48Å; H504-C508 PolarHBondContact O-N 2.86Å; H504-C508 PolarHBondContact O-SG 3.09Å; R505-C508 PolarHBondContact O-N 2.84Å; W506-C508 PolarHBondContact O-N 3.18Å; C508-K512 WeakPolarHBondContact O-CG 3.44Å; C508-K512 PolarHBondContact O-N 2.88Å
509E93.4Very high91.5Very high100 Ų100110.1 Ų110.147%0.46752%0.522SS..Hα-helixtrans-63.6-44.5170.6-72.1-50.8130.500112.1R505 W506 F507 V511 K512 T513R505-E509 PolarHBondContact O-N 3.42Å; W506-E509 PolarHBondContact O-N 3.3Å; F507-E509 PolarHBondContact O-N 3.06Å; E509-V511 VanDerWaalsContact C-N 3.33Å; E509-V511 PolarHBondContact O-N 3.13Å; E509-K512 WeakPolarHBondContact O-CB 3.4Å; E509-K512 PolarHBondContact O-N 3.43Å; E509-K512 VanDerWaalsContact O-N 3.09Å; E509-K512 IonicContact OE1-NZ 2.64Å; E509-K512 PolarHBondContact OE1-NZ 3.18Å; E509-K512 IonicContact OE2-NZ 3.95Å; E509-T513 WeakPolarHBondContact O-CG2 3.35Å; E509-T513 PolarHBondContact O-N 3.31Å
510H92.8Very high90.3Very high81 Ų81112.8 Ų112.838%0.37554%0.538SS..Hα-helixtrans-56.9-47.3177.4-164.996000111.2W506 F507 K512 T513 L514W506-H510 WeakPolarHBondContact O-CB 3.44Å; W506-H510 PolarHBondContact O-N 3.29Å; F507-H510 WeakPolarHBondContact O-CB 3.35Å; F507-H510 PolarHBondContact O-N 3.47Å; H510-K512 VanDerWaalsContact C-N 3.35Å; H510-K512 PolarHBondContact O-N 3.3Å; H510-T513 PolarHBondContact O-N 3.27Å; H510-T513 VanDerWaalsContact O-N 3.15Å; H510-T513 PolarHBondContact O-OG1 2.87Å; H510-L514 WeakPolarHBondContact O-CG 3.29Å; H510-L514 PolarHBondContact O-N 3.32Å
511V93.3Very high88.5Confident48 Ų48111.4 Ų111.429%0.29154%0.537SS..Hα-helixtrans-61.9-37.4175.91720000112.3F507 E509 L514 K515F507-V511 HydrophobicContact CD1-CG2 4.29Å; F507-V511 HydrophobicContact CE1-CG2 3.87Å; F507-V511 HydrophobicContact CE2-CG2 4.16Å; F507-V511 HydrophobicContact CZ-CG2 3.8Å; F507-V511 WeakPolarHBondContact O-CG2 3.39Å; F507-V511 PolarHBondContact O-N 3.43Å; E509-V511 VanDerWaalsContact C-N 3.33Å; E509-V511 PolarHBondContact O-N 3.13Å; V511-L514 PolarHBondContact O-N 3.26Å; V511-K515 HydrophobicContact CG1-CD 4.34Å; V511-K515 WeakPolarHBondContact O-CG 3.34Å; V511-K515 PolarHBondContact O-N 3.1Å
512K92.2Very high86.8Confident110 Ų110116.2 Ų116.248%0.47858%0.577SS.*Hα-helixtrans-61.1-48.3171.2-70.1170-171.2175.60111.2C508 E509 H510 L514 K515 L516C508-K512 WeakPolarHBondContact O-CG 3.44Å; C508-K512 PolarHBondContact O-N 2.88Å; E509-K512 WeakPolarHBondContact O-CB 3.4Å; E509-K512 PolarHBondContact O-N 3.43Å; E509-K512 VanDerWaalsContact O-N 3.09Å; E509-K512 IonicContact OE1-NZ 2.64Å; E509-K512 PolarHBondContact OE1-NZ 3.18Å; E509-K512 IonicContact OE2-NZ 3.95Å; H510-K512 VanDerWaalsContact C-N 3.35Å; H510-K512 PolarHBondContact O-N 3.3Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 2.94Å; K512-K515 PolarHBondContact O-N 3.36Å; K512-L516 WeakPolarHBondContact O-CG 3.24Å; K512-L516 PolarHBondContact O-N 3.42Å
513T91.5Very high86.3Confident56 Ų56115.9 Ų115.934%0.34458%0.577SS.*Hα-helixtrans-64.7-34.8-179.6710000112.8E509 H510 K517E509-T513 WeakPolarHBondContact O-CG2 3.35Å; E509-T513 PolarHBondContact O-N 3.31Å; H510-T513 PolarHBondContact O-N 3.27Å; H510-T513 VanDerWaalsContact O-N 3.15Å; H510-T513 PolarHBondContact O-OG1 2.87Å; T513-K517 WeakPolarHBondContact O-CB 3.28Å; T513-K517 VanDerWaalsContact O-CG 3.25Å; T513-K517 WeakPolarHBondContact O-CG 3.4Å; T513-K517 PolarHBondContact O-N 2.66Å
514L90.6Very high85.9Confident89 Ų89115.4 Ų115.447%0.46658%0.579SS.*Hα-helixtrans-67.5-42.3174-69.7-179.7000112H510 V511 K512 K517 K518H510-L514 WeakPolarHBondContact O-CG 3.29Å; H510-L514 PolarHBondContact O-N 3.32Å; V511-L514 PolarHBondContact O-N 3.26Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 2.94Å; L514-K517 PolarHBondContact O-N 3.27Å; L514-K518 WeakPolarHBondContact O-CB 3.45Å; L514-K518 PolarHBondContact O-N 3.44Å
515K86.6Confident85.3Confident150 Ų150115.2 Ų115.265%0.65258%0.58SS**Hα-helixtrans-61.2-46.8174-75.1178.3178.7-178.10111.4V511 K512 K517 K518 S519V511-K515 HydrophobicContact CG1-CD 4.34Å; V511-K515 WeakPolarHBondContact O-CG 3.34Å; V511-K515 PolarHBondContact O-N 3.1Å; K512-K515 PolarHBondContact O-N 3.36Å; K515-K517 PolarHBondContact O-N 2.77Å; K515-K518 PolarHBondContact O-N 2.84Å; K515-K518 VanDerWaalsContact O-N 3.16Å; K515-S519 PolarHBondContact O-N 2.88Å; K515-S519 PolarHBondContact O-OG 3.35Å
516L85.6Confident84.8Confident115 Ų115113.9 Ų113.960%0.60258%0.584SS**Hα-helixtrans-60.5-44.4177.2-73.6168.1000112.4K512 K518 S519 L520K512-L516 WeakPolarHBondContact O-CG 3.24Å; K512-L516 PolarHBondContact O-N 3.42Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.27Å; L516-S519 WeakPolarHBondContact CA-OG 3.33Å; L516-S519 PolarHBondContact O-N 3.16Å; L516-S519 PolarHBondContact O-OG 3.44Å; L516-L520 WeakPolarHBondContact O-CB 3.18Å; L516-L520 PolarHBondContact O-N 3.21Å; L516-L520 VanDerWaalsContact O-N 3.08Å
517K83.8Confident84.2Confident144 Ų144109.8 Ų109.863%0.62658%0.578SS**Hα-helixtrans-62.3-37.6174.3-75.1168.5-178.9172.90112.2T513 L514 K515 L520 A521T513-K517 WeakPolarHBondContact O-CB 3.28Å; T513-K517 VanDerWaalsContact O-CG 3.25Å; T513-K517 WeakPolarHBondContact O-CG 3.4Å; T513-K517 PolarHBondContact O-N 2.66Å; L514-K517 PolarHBondContact O-N 3.27Å; K515-K517 PolarHBondContact O-N 2.77Å; K517-L520 PolarHBondContact O-N 2.83Å; K517-A521 PolarHBondContact O-N 3.05Å
518K84.5Confident83.5Confident181 Ų181108.8 Ų108.879%0.78758%0.58SS**Hα-helixtrans-71.2-30.9177-168.7171.6-178.4178.60112.9L514 K515 L516 L520L514-K518 WeakPolarHBondContact O-CB 3.45Å; L514-K518 PolarHBondContact O-N 3.44Å; K515-K518 PolarHBondContact O-N 2.84Å; K515-K518 VanDerWaalsContact O-N 3.16Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.27Å; K518-L520 VanDerWaalsContact C-N 3.34Å
519S77Confident82.8Confident91 Ų91113.4 Ų113.464%0.63660%0.6SS**Hα-helixtrans-82.1-7.7172.554.90000114.7K515 L516K515-S519 PolarHBondContact O-N 2.88Å; K515-S519 PolarHBondContact O-OG 3.35Å; L516-S519 WeakPolarHBondContact CA-OG 3.33Å; L516-S519 PolarHBondContact O-N 3.16Å; L516-S519 PolarHBondContact O-OG 3.44Å
520L69.5Low82Confident152 Ų152114.4 Ų114.480%0.79661%0.61SS**THydrogen-bonded Turntrans-105.85.2176.5-149.478.2000112.6L516 K517 K518L516-L520 WeakPolarHBondContact O-CB 3.18Å; L516-L520 PolarHBondContact O-N 3.21Å; L516-L520 VanDerWaalsContact O-N 3.08Å; K517-L520 PolarHBondContact O-N 2.83Å; K518-L520 VanDerWaalsContact C-N 3.34Å
521A58.5Low81.1Confident68 Ų68117.2 Ų117.256%0.56263%0.629SS**  trans-78130.316600000108.8K517K517-A521 PolarHBondContact O-N 3.05Å
522P59.6Low79.9Confident202 Ų202123.5 Ų123.5100%1.31266%0.66SS**  trans-77.50-178.934.3-37000113.3

Retrieved 522 of 522 residues in 342.9 ms (Link to these results)