A0A2K5Z0G5_MANLE Loading...

Baculoviral IAP repeat-containing protein 5

AlphaFold DB , UniProt , Accession A0A2K5Z0G5, Species MANLE (Mandrillus leucophaeus, Drill), Gene n/a, Length 142 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low78.8Confident248 Ų24898.4 Ų98.4100%1.22261%0.613SS**  0114.90-69.9-171.2-94.500106.7
2G54.5Low80.3Confident75 Ų7591.4 Ų91.477%0.77357%0.57SS**PPolyproline II helixtrans-71.8145.7-178.400000110.8
3A57.4Low81.5Confident82 Ų8285.3 Ų85.368%0.67853%0.53SS*.PPolyproline II helixtrans-56.9142.3174.300000109.9T5A3-T5 PolarHBondContact O-N 3.27Å
4P67.4Low82.5Confident135 Ų13583.1 Ų83.188%0.87751%0.512SS*.PPolyproline II helixtrans-56.7127.7172.3-10.620.2000109.1
5T82.3Confident83.4Confident123 Ų12381.8 Ų81.876%0.75550%0.497SS*.  trans-109.9138.2177.252.50000109.6A3A3-T5 PolarHBondContact O-N 3.27Å
6L90.1Very high84.2Confident60 Ų6084.6 Ų84.631%0.31451%0.508SS..  trans-64.6148.4172.6-68.7176.2000110.1W10 Q11 L14 F93L6-W10 HydrophobicContact CB-CB 4.47Å; L6-Q11 HydrophobicContact CB-CG 4.3Å; L6-Q11 PolarHBondContact O-NE2 2.72Å; L6-Q11 VanDerWaalsContact O-NE2 3.17Å; L6-L14 HydrophobicContact CD1-CD1 3.88Å; L6-L14 HydrophobicContact CD1-CD2 4.28Å; L6-L14 HydrophobicContact CD1-CG 4.01Å; L6-F93 HydrophobicContact CD1-CE1 4.02Å; L6-F93 HydrophobicContact CD1-CZ 4.48Å
7P94.5Very high84.9Confident66 Ų6682.9 Ų82.943%0.42949%0.493SS..  trans-53.9146.7170.6-23.633000111.2A9 W10 Q11P7-A9 PolarHBondContact O-N 3.45Å; P7-W10 HydrophobicContact CG-CD2 4.49Å; P7-W10 HydrophobicContact CG-CE3 3.98Å; P7-W10 HydrophobicContact CG-CZ3 4.32Å; P7-W10 PolarHBondContact O-N 3.44Å; P7-Q11 PolarHBondContact O-N 3.09Å
8P94.1Very high85.7Confident100 Ų10078.8 Ų78.865%0.64947%0.468SS*.THydrogen-bonded Turntrans-51.2-36.6-176.8-30.135.6000114.6W10 Q11 P12P8-W10 PolarHBondContact O-N 3.28Å; P8-Q11 PolarHBondContact O-N 3.11Å; P8-P12 WeakPolarHBondContact O-CD 3.29Å
9A94.3Very high86.3Confident59 Ų5976.9 Ų76.949%0.48846%0.455SS..THydrogen-bonded Turntrans-61.1-28.9178.200000113.4P7 R108P7-A9 PolarHBondContact O-N 3.45Å; A9-R108 VanDerWaalsContact O-CZ 3.29Å; A9-R108 PolarHBondContact O-NH1 3.43Å; A9-R108 PolarHBondContact O-NH2 2.9Å
10W96.2Very high86.9Confident80 Ų8076.8 Ų76.830%0.30346%0.458SS..THydrogen-bonded Turntrans-103-12.2-175.6-62.2-19.4000113.7L6 P7 P8 P12 F13 F101 D105L6-W10 HydrophobicContact CB-CB 4.47Å; P7-W10 HydrophobicContact CG-CD2 4.49Å; P7-W10 HydrophobicContact CG-CE3 3.98Å; P7-W10 HydrophobicContact CG-CZ3 4.32Å; P7-W10 PolarHBondContact O-N 3.44Å; P8-W10 PolarHBondContact O-N 3.28Å; W10-P12 VanDerWaalsContact C-CD 3.43Å; W10-P12 VanDerWaalsContact C-N 3.31Å; W10-F13 HydrophobicContact CB-CD2 4.39Å; W10-F13 WeakPolarHBondContact O-CB 3.32Å; W10-F13 WeakPolarHBondContact O-CD2 3.29Å; W10-F13 PolarHBondContact O-N 3.42Å; W10-F13 VanDerWaalsContact O-N 3.09Å; W10-F101 HydrophobicContact CB-CZ 4.38Å; W10-F101 AromaticContact CD1-CZ 3.86Å; W10-F101 AromaticContact CD2-CE1 3.96Å; W10-F101 HydrophobicContact CD2-CE1 3.96Å; W10-F101 AromaticContact CD2-CZ 3.59Å; W10-F101 HydrophobicContact CD2-CZ 3.59Å; W10-F101 AromaticContact CE2-CE1 3.86Å; W10-F101 AromaticContact CE2-CZ 3.7Å; W10-F101 HydrophobicContact CE3-CE1 4.07Å; W10-F101 HydrophobicContact CE3-CZ 4.03Å; W10-F101 AromaticContact CG-CZ 3.74Å; W10-F101 HydrophobicContact CG-CZ 3.74Å; W10-F101 HydrophobicContact CH2-CE1 4.08Å; W10-F101 AromaticContact CZ2-CE1 3.94Å; W10-F101 HydrophobicContact CZ2-CE1 3.94Å; W10-F101 HydrophobicContact CZ2-CZ 4.26Å; W10-F101 HydrophobicContact CZ3-CE1 4.13Å; W10-F101 AromaticContact NE1-CZ 3.82Å; W10-D105 PolarHBondContact NE1-OD2 3.1Å
11Q96.1Very high87.5Confident54 Ų5474.6 Ų74.625%0.25245%0.445SS..G310 helixtrans-54-39.9176.8-66.6172.8-16.800113.6L6 P7 P8 F13 L14 H17L6-Q11 HydrophobicContact CB-CG 4.3Å; L6-Q11 PolarHBondContact O-NE2 2.72Å; L6-Q11 VanDerWaalsContact O-NE2 3.17Å; P7-Q11 PolarHBondContact O-N 3.09Å; P8-Q11 PolarHBondContact O-N 3.11Å; Q11-F13 PolarHBondContact O-N 2.79Å; Q11-L14 WeakPolarHBondContact O-CB 3.42Å; Q11-L14 PolarHBondContact O-N 2.69Å; Q11-H17 VanDerWaalsContact O-CB 3.28Å; Q11-H17 WeakPolarHBondContact O-CB 3.38Å; Q11-H17 PolarHBondContact OE1-NE2 3.06Å
12P96.9Very high90.3Very high15 Ų1563.8 Ų63.810%0.09739%0.391CS..G310 helixtrans-64.5-11.3179.3-2536.2000115.6P8 W10 L14 R18 F58P8-P12 WeakPolarHBondContact O-CD 3.29Å; W10-P12 VanDerWaalsContact C-CD 3.43Å; W10-P12 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 3.39Å; P12-R18 VanDerWaalsContact O-CD 3.3Å; P12-R18 WeakPolarHBondContact O-CD 3.43Å; P12-R18 VanDerWaalsContact O-CG 3.25Å; P12-R18 WeakPolarHBondContact O-CG 3.49Å; P12-R18 PolarHBondContact O-NH1 2.89Å; P12-F58 HydrophobicContact CB-CB 3.74Å; P12-F58 HydrophobicContact CB-CD2 3.79Å; P12-F58 HydrophobicContact CB-CG 3.98Å
13F95.8Very high92.3Very high12 Ų1267.4 Ų67.45%0.05339%0.386CS..G310 helixtrans-67.9-28.1171-78.5-91.6000112.2W10 Q11 R18 F58 F59 F93 F101 L104 D105W10-F13 HydrophobicContact CB-CD2 4.39Å; W10-F13 WeakPolarHBondContact O-CB 3.32Å; W10-F13 WeakPolarHBondContact O-CD2 3.29Å; W10-F13 PolarHBondContact O-N 3.42Å; W10-F13 VanDerWaalsContact O-N 3.09Å; Q11-F13 PolarHBondContact O-N 2.79Å; F13-R18 PolarHBondContact O-NH1 3.15Å; F13-F58 HydrophobicContact CB-CE2 4.34Å; F13-F58 AromaticContact CD1-CE2 3.67Å; F13-F58 HydrophobicContact CD1-CE2 3.67Å; F13-F58 AromaticContact CD1-CZ 3.99Å; F13-F58 HydrophobicContact CD1-CZ 3.99Å; F13-F58 HydrophobicContact CD2-CE2 4.03Å; F13-F58 AromaticContact CE1-CE2 3.92Å; F13-F58 HydrophobicContact CE1-CE2 3.92Å; F13-F58 HydrophobicContact CE1-CZ 4.37Å; F13-F58 HydrophobicContact CE2-CE2 4.27Å; F13-F58 AromaticContact CG-CE2 3.73Å; F13-F58 HydrophobicContact CG-CE2 3.73Å; F13-F58 HydrophobicContact CG-CZ 4.35Å; F13-F58 HydrophobicContact CZ-CE2 4.22Å; F13-F59 HydrophobicContact CE1-CD2 4.36Å; F13-F59 HydrophobicContact CE1-CE2 4.34Å; F13-F93 HydrophobicContact CB-CD1 4.36Å; F13-F93 HydrophobicContact CB-CD2 3.5Å; F13-F93 VanDerWaalsContact CB-CD2 3.5Å; F13-F93 HydrophobicContact CB-CE1 4.21Å; F13-F93 HydrophobicContact CB-CE2 3.28Å; F13-F93 HydrophobicContact CB-CG 4.02Å; F13-F93 HydrophobicContact CB-CZ 3.68Å; F13-F93 AromaticContact CD1-CD2 3.76Å; F13-F93 HydrophobicContact CD1-CD2 3.76Å; F13-F93 AromaticContact CD1-CE2 3.53Å; F13-F93 HydrophobicContact CD1-CE2 3.53Å; F13-F93 HydrophobicContact CD2-CE2 4.39Å; F13-F93 HydrophobicContact CE1-CE2 4.43Å; F13-F93 AromaticContact CG-CD2 3.96Å; F13-F93 HydrophobicContact CG-CD2 3.96Å; F13-F93 AromaticContact CG-CE2 3.5Å; F13-F93 HydrophobicContact CG-CE2 3.5Å; F13-F93 HydrophobicContact CG-CZ 4.15Å; F13-F101 HydrophobicContact CD1-CE2 4.2Å; F13-F101 AromaticContact CD2-CE2 3.99Å; F13-F101 HydrophobicContact CD2-CE2 3.99Å; F13-F101 HydrophobicContact CE1-CD2 4.42Å; F13-F101 HydrophobicContact CE1-CE2 4.07Å; F13-F101 AromaticContact CE2-CE2 3.83Å; F13-F101 HydrophobicContact CE2-CE2 3.83Å; F13-F101 HydrophobicContact CE2-CZ 4.41Å; F13-F101 HydrophobicContact CG-CE2 4.16Å; F13-F101 AromaticContact CZ-CE2 3.88Å; F13-F101 HydrophobicContact CZ-CE2 3.88Å; F13-L104 HydrophobicContact CE1-CB 4.47Å; F13-D105 HydrophobicContact CZ-CB 4.18Å
14L95.1Very high94.1Very high54 Ų5471.2 Ų71.228%0.28340%0.395SS..SBendtrans-75.6128.6174.3-57.7176.8000110L6 Q11 P12 D16 H17 R18 F93L6-L14 HydrophobicContact CD1-CD1 3.88Å; L6-L14 HydrophobicContact CD1-CD2 4.28Å; L6-L14 HydrophobicContact CD1-CG 4.01Å; Q11-L14 WeakPolarHBondContact O-CB 3.42Å; Q11-L14 PolarHBondContact O-N 2.69Å; P12-L14 PolarHBondContact O-N 3.39Å; L14-D16 VanDerWaalsContact C-N 3.32Å; L14-D16 PolarHBondContact O-N 2.89Å; L14-H17 HydrophobicContact CB-CB 4.18Å; L14-H17 PolarHBondContact O-N 3.14Å; L14-R18 PolarHBondContact O-N 2.85Å; L14-F93 HydrophobicContact CD2-CD1 3.53Å; L14-F93 HydrophobicContact CD2-CE1 3.91Å; L14-F93 HydrophobicContact CD2-CG 4.5Å
15K95.9Very high95.6Very high64 Ų6465.2 Ų65.228%0.27836%0.355SS..Hα-helixtrans-58.7-44.6178.4-176.4-177.2172.9-178.60111.6H17 R18 I19 A39 E40K15-H17 VanDerWaalsContact C-N 3.28Å; K15-H17 PolarHBondContact O-N 3.41Å; K15-R18 WeakPolarHBondContact O-CA 3.14Å; K15-R18 WeakPolarHBondContact O-CB 3.3Å; K15-R18 PolarHBondContact O-N 3.07Å; K15-I19 HydrophobicContact CG-CD1 4.17Å; K15-I19 HydrophobicContact CG-CG1 4.43Å; K15-I19 WeakPolarHBondContact O-CG1 3.32Å; K15-I19 PolarHBondContact O-N 3.4Å; K15-A39 HydrophobicContact CG-CB 4.21Å; K15-E40 WeakPolarHBondContact CD-OE2 3.43Å; K15-E40 WeakPolarHBondContact CE-OE2 3.42Å; K15-E40 IonicContact NZ-OE2 2.73Å; K15-E40 PolarHBondContact NZ-OE2 3.46Å
16D96.1Very high96.2Very high126 Ų12663 Ų6367%0.67434%0.343SS*.Hα-helixtrans-60.9-37.2-178.9-65.3-10.3000112.6L14 R18 I19 S20L14-D16 VanDerWaalsContact C-N 3.32Å; L14-D16 PolarHBondContact O-N 2.89Å; D16-R18 VanDerWaalsContact C-N 3.32Å; D16-R18 PolarHBondContact O-N 2.86Å; D16-I19 PolarHBondContact O-N 3.26Å; D16-S20 PolarHBondContact O-N 2.8Å
17H97.1Very high96.6Very high57 Ų5762 Ų6226%0.26434%0.335SS..Hα-helixtrans-62-44.3173.5-179.3-82000110.4Q11 L14 K15 S20 T21Q11-H17 VanDerWaalsContact O-CB 3.28Å; Q11-H17 WeakPolarHBondContact O-CB 3.38Å; Q11-H17 PolarHBondContact OE1-NE2 3.06Å; L14-H17 HydrophobicContact CB-CB 4.18Å; L14-H17 PolarHBondContact O-N 3.14Å; K15-H17 VanDerWaalsContact C-N 3.28Å; K15-H17 PolarHBondContact O-N 3.41Å; H17-S20 PolarHBondContact O-N 3.07Å; H17-S20 PolarHBondContact O-OG 3.37Å; H17-T21 WeakPolarHBondContact O-CG2 3.4Å; H17-T21 PolarHBondContact O-N 2.63Å
18R98.1Very high96.6Very high9 Ų964 Ų643%0.03434%0.342CS..Hα-helixtrans-61.7-44.8177.2-61.9-165.5-63.5-81.52.1111.9P12 F13 L14 K15 D16 S20 T21 F22 A39 I44P12-R18 VanDerWaalsContact O-CD 3.3Å; P12-R18 WeakPolarHBondContact O-CD 3.43Å; P12-R18 VanDerWaalsContact O-CG 3.25Å; P12-R18 WeakPolarHBondContact O-CG 3.49Å; P12-R18 PolarHBondContact O-NH1 2.89Å; F13-R18 PolarHBondContact O-NH1 3.15Å; L14-R18 PolarHBondContact O-N 2.85Å; K15-R18 WeakPolarHBondContact O-CA 3.14Å; K15-R18 WeakPolarHBondContact O-CB 3.3Å; K15-R18 PolarHBondContact O-N 3.07Å; D16-R18 VanDerWaalsContact C-N 3.32Å; D16-R18 PolarHBondContact O-N 2.86Å; R18-S20 VanDerWaalsContact C-N 3.26Å; R18-S20 PolarHBondContact O-N 2.85Å; R18-T21 WeakPolarHBondContact O-CB 3.41Å; R18-T21 PolarHBondContact O-N 3.02Å; R18-T21 PolarHBondContact O-OG1 2.9Å; R18-F22 VanDerWaalsContact O-CD2 3.27Å; R18-F22 WeakPolarHBondContact O-CD2 3.11Å; R18-A39 HydrophobicContact CB-CB 3.79Å; R18-A39 PolarHBondContact NE-O 3.4Å; R18-A39 PolarHBondContact NH2-O 2.8Å; R18-I44 HydrophobicContact CB-CG2 3.98Å; R18-I44 HydrophobicContact CG-CG2 3.68Å
19I98.5Very high96.6Very high43 Ų4368.6 Ų68.622%0.22136%0.355CS..Hα-helixtrans-54.3-46174.6-64.2171.3000110.4K15 D16 T21 F22 E36 A39K15-I19 HydrophobicContact CG-CD1 4.17Å; K15-I19 HydrophobicContact CG-CG1 4.43Å; K15-I19 WeakPolarHBondContact O-CG1 3.32Å; K15-I19 PolarHBondContact O-N 3.4Å; D16-I19 PolarHBondContact O-N 3.26Å; I19-T21 PolarHBondContact O-N 3.48Å; I19-F22 WeakPolarHBondContact O-CB 3.5Å; I19-F22 PolarHBondContact O-N 3.39Å; I19-E36 HydrophobicContact CD1-CG 4.32Å; I19-A39 HydrophobicContact CB-CB 4.37Å; I19-A39 HydrophobicContact CD1-CB 4.46Å; I19-A39 HydrophobicContact CG1-CB 3.4Å
20S98.1Very high96.5Very high73 Ų7369.8 Ų69.851%0.5137%0.373SS..Hα-helixtrans-64.3-13.7-178.176.40000115D16 H17 R18 F22D16-S20 PolarHBondContact O-N 2.8Å; H17-S20 PolarHBondContact O-N 3.07Å; H17-S20 PolarHBondContact O-OG 3.37Å; R18-S20 VanDerWaalsContact C-N 3.26Å; R18-S20 PolarHBondContact O-N 2.85Å; S20-F22 VanDerWaalsContact C-N 3.35Å
21T98.6Very high96.6Very high31 Ų3167.5 Ų67.519%0.1937%0.369CS..Hα-helixtrans-73.7-27.1173.969.20000112.5H17 R18 I19 K23 I44 H45H17-T21 WeakPolarHBondContact O-CG2 3.4Å; H17-T21 PolarHBondContact O-N 2.63Å; R18-T21 WeakPolarHBondContact O-CB 3.41Å; R18-T21 PolarHBondContact O-N 3.02Å; R18-T21 PolarHBondContact O-OG1 2.9Å; I19-T21 PolarHBondContact O-N 3.48Å; T21-K23 VanDerWaalsContact C-N 3.32Å; T21-K23 PolarHBondContact O-N 2.88Å; T21-I44 HydrophobicContact CG2-CB 4.07Å; T21-I44 HydrophobicContact CG2-CG2 4.04Å; T21-I44 WeakPolarHBondContact OG1-CA 3.42Å; T21-H45 WeakPolarHBondContact O-CB 3.27Å; T21-H45 PolarHBondContact OG1-N 3.29Å
22F98.6Very high96.6Very high21 Ų2166.8 Ų66.89%0.09237%0.372CS..  trans-74.779.7-176.5-70.8-91.3000112R18 I19 S20 W25 P35 M38 F43 H45R18-F22 VanDerWaalsContact O-CD2 3.27Å; R18-F22 WeakPolarHBondContact O-CD2 3.11Å; I19-F22 WeakPolarHBondContact O-CB 3.5Å; I19-F22 PolarHBondContact O-N 3.39Å; S20-F22 VanDerWaalsContact C-N 3.35Å; F22-W25 HydrophobicContact CB-CB 4.22Å; F22-W25 HydrophobicContact CD1-CB 4.18Å; F22-W25 AromaticContact CD1-CD2 3.63Å; F22-W25 HydrophobicContact CD1-CD2 3.63Å; F22-W25 AromaticContact CD1-CE3 3.71Å; F22-W25 HydrophobicContact CD1-CE3 3.71Å; F22-W25 AromaticContact CD1-CG 3.84Å; F22-W25 HydrophobicContact CD1-CG 3.84Å; F22-W25 HydrophobicContact CD1-CZ3 4.35Å; F22-W25 HydrophobicContact CE1-CD2 4.04Å; F22-W25 AromaticContact CE1-CE3 3.98Å; F22-W25 HydrophobicContact CE1-CE3 3.98Å; F22-W25 HydrophobicContact CE1-CH2 4.42Å; F22-W25 HydrophobicContact CE1-CZ2 4.47Å; F22-W25 HydrophobicContact CE1-CZ3 4.16Å; F22-P35 HydrophobicContact CB-CB 3.72Å; F22-P35 HydrophobicContact CB-CG 3.98Å; F22-P35 HydrophobicContact CD1-CB 4.41Å; F22-P35 HydrophobicContact CD2-CB 4.22Å; F22-P35 HydrophobicContact CG-CB 3.86Å; F22-P35 HydrophobicContact CG-CG 4.36Å; F22-M38 HydrophobicContact CE1-CB 3.63Å; F22-M38 HydrophobicContact CE1-CE 4.04Å; F22-M38 HydrophobicContact CE1-CG 3.92Å; F22-M38 HydrophobicContact CE2-CB 3.99Å; F22-M38 HydrophobicContact CZ-CB 3.31Å; F22-M38 HydrophobicContact CZ-CE 4.27Å; F22-M38 HydrophobicContact CZ-CG 4.12Å; F22-F43 HydrophobicContact CZ-CB 4.17Å; F22-H45 HydrophobicContact CB-CB 4.39Å; F22-H45 HydrophobicContact CD1-CB 3.7Å; F22-H45 HydrophobicContact CD2-CB 4.35Å; F22-H45 HydrophobicContact CE1-CB 3.9Å; F22-H45 HydrophobicContact CG-CB 3.91Å; F22-H45 HydrophobicContact CZ-CB 4.28Å
23K96.6Very high96.6Very high151 Ų15166 Ų6666%0.65737%0.367SS*.SBendtrans-92130.6171.6-61.3-179.5-177.1178.60110.2T21 W25 H45T21-K23 VanDerWaalsContact C-N 3.32Å; T21-K23 PolarHBondContact O-N 2.88Å; K23-W25 PolarHBondContact O-N 2.87Å; K23-H45 PolarHBondContact O-CE1 2.8Å; K23-H45 PolarHBondContact O-ND1 2.92Å
24N96.4Very high96.8Very high163 Ų16366.5 Ų66.587%0.87237%0.371SS*.SBendtrans55.632.6179.4-50.4-36.4000113.8
25W98Very high96.9Very high9 Ų964.5 Ų64.53%0.03436%0.361CS..  trans-65.8131.3177.5-173.1-109.4000110.4F22 K23 F27 C33 P35 M38 H45 D53 A55 W67F22-W25 HydrophobicContact CB-CB 4.22Å; F22-W25 HydrophobicContact CD1-CB 4.18Å; F22-W25 AromaticContact CD1-CD2 3.63Å; F22-W25 HydrophobicContact CD1-CD2 3.63Å; F22-W25 AromaticContact CD1-CE3 3.71Å; F22-W25 HydrophobicContact CD1-CE3 3.71Å; F22-W25 AromaticContact CD1-CG 3.84Å; F22-W25 HydrophobicContact CD1-CG 3.84Å; F22-W25 HydrophobicContact CD1-CZ3 4.35Å; F22-W25 HydrophobicContact CE1-CD2 4.04Å; F22-W25 AromaticContact CE1-CE3 3.98Å; F22-W25 HydrophobicContact CE1-CE3 3.98Å; F22-W25 HydrophobicContact CE1-CH2 4.42Å; F22-W25 HydrophobicContact CE1-CZ2 4.47Å; F22-W25 HydrophobicContact CE1-CZ3 4.16Å; K23-W25 PolarHBondContact O-N 2.87Å; W25-F27 VanDerWaalsContact C-N 3.33Å; W25-F27 HydrophobicContact CZ2-CD2 4.18Å; W25-F27 PolarHBondContact O-N 2.86Å; W25-C33 PolarHBondContact NE1-O 3.5Å; W25-P35 HydrophobicContact CB-CG 4.21Å; W25-P35 HydrophobicContact CG-CG 4.27Å; W25-M38 HydrophobicContact CH2-CE 3.74Å; W25-M38 HydrophobicContact CZ2-CE 3.74Å; W25-M38 HydrophobicContact CZ2-CG 4.2Å; W25-M38 HydrophobicContact CZ2-SD 4.29Å; W25-H45 AromaticContact CE3-CD2 3.63Å; W25-H45 AromaticContact CE3-NE2 3.64Å; W25-H45 AromaticContact CZ3-CD2 3.58Å; W25-H45 AromaticContact CZ3-NE2 3.79Å; W25-D53 HydrophobicContact CH2-CB 4.09Å; W25-D53 WeakPolarHBondContact CH2-O 3.21Å; W25-D53 HydrophobicContact CZ3-CB 3.92Å; W25-D53 VanDerWaalsContact CZ3-O 3.27Å; W25-D53 WeakPolarHBondContact CZ3-O 3.17Å; W25-A55 HydrophobicContact CH2-CB 4.45Å; W25-W67 HydrophobicContact CH2-CB 4.32Å; W25-W67 AromaticContact CH2-CD1 3.61Å; W25-W67 HydrophobicContact CH2-CD2 4.5Å; W25-W67 AromaticContact CH2-CG 3.89Å; W25-W67 HydrophobicContact CH2-CG 3.89Å; W25-W67 HydrophobicContact CZ2-CB 4.23Å; W25-W67 HydrophobicContact CZ2-CD2 4.49Å; W25-W67 HydrophobicContact CZ2-CG 4.04Å
26P95.6Very high97.1Very high77 Ų7766 Ų6650%0.537%0.369SS..SBendtrans-72.1-23.8-170.825.6-33.8000114.1
27F97.2Very high97.2Very high37 Ų3764.3 Ų64.316%0.16235%0.353CS..  trans-107.8104-172.2-53.6-60.9000111.7W25 C31 C33 W67 P69W25-F27 VanDerWaalsContact C-N 3.33Å; W25-F27 HydrophobicContact CZ2-CD2 4.18Å; W25-F27 PolarHBondContact O-N 2.86Å; F27-C31 HydrophobicContact CB-CB 3.82Å; F27-C33 WeakPolarHBondContact CB-SG 3.09Å; F27-C33 WeakPolarHBondContact CD2-SG 3.48Å; F27-C33 WeakPolarHBondContact CG-SG 3.39Å; F27-W67 HydrophobicContact CD2-CB 4.27Å; F27-W67 HydrophobicContact CE2-CB 3.78Å; F27-W67 WeakPolarHBondContact CE2-O 3.39Å; F27-W67 WeakPolarHBondContact CZ-O 3.48Å; F27-P69 HydrophobicContact CD1-CB 3.83Å; F27-P69 HydrophobicContact CE1-CB 4.06Å; F27-P69 HydrophobicContact CE1-CG 4.35Å
28L95.4Very high97.2Very high108 Ų10861.6 Ų61.657%0.56534%0.341SS*.  trans-111.5-130.5-175.8-58.6176.4000110.3G30 C31 T34 P35L28-G30 PolarHBondContact O-N 3.22Å; L28-C31 PolarHBondContact O-N 3.29Å; L28-T34 VanDerWaalsContact O-CG2 3.3Å; L28-T34 WeakPolarHBondContact O-CG2 3.47Å; L28-P35 HydrophobicContact CD2-CG 4.24Å
29E93.5Very high97.2Very high197 Ų19761.1 Ų61.192%0.92134%0.339SS*.THydrogen-bonded Turntrans-58.5134.1-177.2-165171.6-168.400111.7
30G92.9Very high97.2Very high84 Ų8462.4 Ų62.487%0.86634%0.344SS*.THydrogen-bonded Turntrans86.5-2.5-17900000115.8L28L28-G30 PolarHBondContact O-N 3.22Å
31C97.4Very high97.2Very high33 Ų3359 Ų5922%0.22332%0.32CS..  trans-99.1156.3175.4-55.90000111.8F27 L28 T34 P69F27-C31 HydrophobicContact CB-CB 3.82Å; L28-C31 PolarHBondContact O-N 3.29Å; C31-T34 WeakPolarHBondContact O-CG2 3.18Å; C31-P69 CarbonylContact C-O 3.49Å; C31-P69 WeakPolarHBondContact CA-O 3.43Å; C31-P69 HydrophobicContact CB-CB 4.2Å; C31-P69 WeakPolarHBondContact CB-O 3.38Å
32A97.6Very high97.1Very high38 Ų3857.5 Ų57.531%0.31431%0.311SS..SBendtrans-80.7-25.9173.700000113R37 P69 D71A32-R37 VanDerWaalsContact O-CB 3.29Å; A32-R37 WeakPolarHBondContact O-CB 3.34Å; A32-R37 WeakPolarHBondContact O-CG 3.07Å; A32-P69 PolarHBondContact N-O 2.73Å; A32-D71 CarbonylContact C-O 3.38Å; A32-D71 VanDerWaalsContact CB-O 3.29Å; A32-D71 WeakPolarHBondContact CB-O 3.33Å
33C97.1Very high97.1Very high0 Ų056.5 Ų56.50%031%0.307CS..SBendtrans-100.942.6-179.1620000113.3W25 F27 M38 W67 E68 D71 P73W25-C33 PolarHBondContact NE1-O 3.5Å; F27-C33 WeakPolarHBondContact CB-SG 3.09Å; F27-C33 WeakPolarHBondContact CD2-SG 3.48Å; F27-C33 WeakPolarHBondContact CG-SG 3.39Å; C33-M38 HydrophobicContact CB-SD 4.35Å; C33-W67 HydrophobicContact CB-CE3 4.08Å; C33-E68 PolarHBondContact SG-O 3.38Å; C33-D71 HydrophobicContact CB-CB 4.45Å; C33-D71 PolarHBondContact N-O 3.3Å; C33-P73 HydrophobicContact CB-CG 4.13Å
34T98.6Very high97.3Very high22 Ų2250.8 Ų50.814%0.13528%0.283CS..  trans-64160.5175.683.90000112.2L28 C31 E36 R37 M38L28-T34 VanDerWaalsContact O-CG2 3.3Å; L28-T34 WeakPolarHBondContact O-CG2 3.47Å; C31-T34 WeakPolarHBondContact O-CG2 3.18Å; T34-E36 WeakPolarHBondContact CB-OE2 3.45Å; T34-E36 PolarHBondContact O-N 3.2Å; T34-E36 VanDerWaalsContact O-N 3.15Å; T34-E36 PolarHBondContact OG1-N 2.96Å; T34-E36 PolarHBondContact OG1-OE2 3.41Å; T34-R37 WeakPolarHBondContact O-CB 3.5Å; T34-R37 PolarHBondContact O-N 2.99Å; T34-R37 PolarHBondContact OG1-N 3.44Å; T34-M38 WeakPolarHBondContact O-CB 3.28Å; T34-M38 VanDerWaalsContact O-CG 3.28Å; T34-M38 WeakPolarHBondContact O-CG 3.35Å; T34-M38 PolarHBondContact O-N 3.04Å
35P98.6Very high97.4Very high11 Ų1143.8 Ų43.87%0.07125%0.245CC..Hα-helixtrans-50.9-38.4175-31.239.5000114.2F22 W25 L28 A39F22-P35 HydrophobicContact CB-CB 3.72Å; F22-P35 HydrophobicContact CB-CG 3.98Å; F22-P35 HydrophobicContact CD1-CB 4.41Å; F22-P35 HydrophobicContact CD2-CB 4.22Å; F22-P35 HydrophobicContact CG-CB 3.86Å; F22-P35 HydrophobicContact CG-CG 4.36Å; W25-P35 HydrophobicContact CB-CG 4.21Å; W25-P35 HydrophobicContact CG-CG 4.27Å; L28-P35 HydrophobicContact CD2-CG 4.24Å; P35-A39 WeakPolarHBondContact O-CB 3.45Å; P35-A39 PolarHBondContact O-N 2.96Å
36E98.3Very high97.4Very high96 Ų9645.2 Ų45.245%0.44926%0.256SS..Hα-helixtrans-67.8-41.4178.4-60.872.9-159.800111.9I19 T34 E40I19-E36 HydrophobicContact CD1-CG 4.32Å; T34-E36 WeakPolarHBondContact CB-OE2 3.45Å; T34-E36 PolarHBondContact O-N 3.2Å; T34-E36 VanDerWaalsContact O-N 3.15Å; T34-E36 PolarHBondContact OG1-N 2.96Å; T34-E36 PolarHBondContact OG1-OE2 3.41Å; E36-E40 WeakPolarHBondContact O-CB 3.23Å; E36-E40 PolarHBondContact O-N 3.28Å
37R98.3Very high97.5Very high90 Ų9044.8 Ų44.834%0.3425%0.254SS..Hα-helixtrans-68.5-43.1177.3-74.1-67.6-49172.54.3111.5A32 T34 E40 A41 D72 P73A32-R37 VanDerWaalsContact O-CB 3.29Å; A32-R37 WeakPolarHBondContact O-CB 3.34Å; A32-R37 WeakPolarHBondContact O-CG 3.07Å; T34-R37 WeakPolarHBondContact O-CB 3.5Å; T34-R37 PolarHBondContact O-N 2.99Å; T34-R37 PolarHBondContact OG1-N 3.44Å; R37-E40 WeakPolarHBondContact O-CB 3.31Å; R37-E40 PolarHBondContact O-N 3.02Å; R37-A41 PolarHBondContact O-N 3.25Å; R37-A41 VanDerWaalsContact O-N 3.07Å; R37-D72 IonicContact NH2-OD1 3.29Å; R37-D72 PolarHBondContact NH2-OD1 3.2Å; R37-D72 IonicContact NH2-OD2 2.87Å; R37-D72 PolarHBondContact NH2-OD2 2.88Å; R37-P73 HydrophobicContact CB-CG 4.16Å
38M98.7Very high97.5Very high0 Ų046 Ų460%026%0.264CS..Hα-helixtrans-60.7-48.7174.3-70-67.9-78.600111.3F22 W25 C33 T34 E40 A41 G42 F43 A55 W67 P73F22-M38 HydrophobicContact CE1-CB 3.63Å; F22-M38 HydrophobicContact CE1-CE 4.04Å; F22-M38 HydrophobicContact CE1-CG 3.92Å; F22-M38 HydrophobicContact CE2-CB 3.99Å; F22-M38 HydrophobicContact CZ-CB 3.31Å; F22-M38 HydrophobicContact CZ-CE 4.27Å; F22-M38 HydrophobicContact CZ-CG 4.12Å; W25-M38 HydrophobicContact CH2-CE 3.74Å; W25-M38 HydrophobicContact CZ2-CE 3.74Å; W25-M38 HydrophobicContact CZ2-CG 4.2Å; W25-M38 HydrophobicContact CZ2-SD 4.29Å; C33-M38 HydrophobicContact CB-SD 4.35Å; T34-M38 WeakPolarHBondContact O-CB 3.28Å; T34-M38 VanDerWaalsContact O-CG 3.28Å; T34-M38 WeakPolarHBondContact O-CG 3.35Å; T34-M38 PolarHBondContact O-N 3.04Å; M38-E40 PolarHBondContact O-N 3.23Å; M38-A41 PolarHBondContact O-N 3.48Å; M38-G42 PolarHBondContact O-N 2.8Å; M38-F43 HydrophobicContact CB-CB 4.31Å; M38-F43 HydrophobicContact CE-CB 4.01Å; M38-F43 HydrophobicContact CE-CD2 4.25Å; M38-F43 HydrophobicContact CE-CG 4.09Å; M38-F43 WeakPolarHBondContact O-CB 3.31Å; M38-F43 PolarHBondContact O-N 3.14Å; M38-F43 HydrophobicContact SD-CD2 4.27Å; M38-A55 HydrophobicContact CE-CB 3.4Å; M38-A55 VanDerWaalsContact CE-CB 3.4Å; M38-W67 HydrophobicContact CE-CD2 3.89Å; M38-W67 VanDerWaalsContact CE-CE2 3.4Å; M38-W67 HydrophobicContact CE-CE3 4.29Å; M38-W67 HydrophobicContact CE-CH2 3.83Å; M38-W67 HydrophobicContact CE-CZ2 3.38Å; M38-W67 HydrophobicContact CE-CZ3 4.26Å; M38-W67 HydrophobicContact SD-CD2 4.15Å; M38-W67 HydrophobicContact SD-CE3 3.93Å; M38-W67 HydrophobicContact SD-CH2 3.62Å; M38-W67 HydrophobicContact SD-CZ2 3.86Å; M38-W67 HydrophobicContact SD-CZ3 3.67Å; M38-P73 HydrophobicContact CG-CG 4.03Å; M38-P73 HydrophobicContact SD-CB 3.63Å; M38-P73 HydrophobicContact SD-CG 3.4Å; M38-P73 WeakPolarHBondContact SD-CG 3.38Å
39A98.2Very high97.4Very high0 Ų050.2 Ų50.20%028%0.281CS..Hα-helixtrans-64.4-38.2177.200000112.5K15 R18 I19 P35 A41 G42K15-A39 HydrophobicContact CG-CB 4.21Å; R18-A39 HydrophobicContact CB-CB 3.79Å; R18-A39 PolarHBondContact NE-O 3.4Å; R18-A39 PolarHBondContact NH2-O 2.8Å; I19-A39 HydrophobicContact CB-CB 4.37Å; I19-A39 HydrophobicContact CD1-CB 4.46Å; I19-A39 HydrophobicContact CG1-CB 3.4Å; P35-A39 WeakPolarHBondContact O-CB 3.45Å; P35-A39 PolarHBondContact O-N 2.96Å; A39-A41 VanDerWaalsContact C-N 3.31Å; A39-A41 PolarHBondContact O-N 3.04Å; A39-G42 PolarHBondContact O-N 2.85Å
40E97Very high97.6Very high69 Ų6947.9 Ų47.932%0.32228%0.275SS..Hα-helixtrans-58.2-44.5173.4-17366.3-148.100111.1K15 E36 R37 M38 G42K15-E40 WeakPolarHBondContact CD-OE2 3.43Å; K15-E40 WeakPolarHBondContact CE-OE2 3.42Å; K15-E40 IonicContact NZ-OE2 2.73Å; K15-E40 PolarHBondContact NZ-OE2 3.46Å; E36-E40 WeakPolarHBondContact O-CB 3.23Å; E36-E40 PolarHBondContact O-N 3.28Å; R37-E40 WeakPolarHBondContact O-CB 3.31Å; R37-E40 PolarHBondContact O-N 3.02Å; M38-E40 PolarHBondContact O-N 3.23Å; E40-G42 PolarHBondContact O-N 3.46Å; E40-G42 VanDerWaalsContact O-N 3.14Å
41A98Very high97.8Very high2 Ų246.9 Ų46.92%0.01725%0.247CC..THydrogen-bonded Turntrans-71.1-3.3176.200000114.2R37 M38 A39 F43 P73 I74 H77R37-A41 PolarHBondContact O-N 3.25Å; R37-A41 VanDerWaalsContact O-N 3.07Å; M38-A41 PolarHBondContact O-N 3.48Å; A39-A41 VanDerWaalsContact C-N 3.31Å; A39-A41 PolarHBondContact O-N 3.04Å; A41-F43 HydrophobicContact CB-CD2 3.84Å; A41-F43 HydrophobicContact CB-CE2 3.95Å; A41-P73 HydrophobicContact CB-CB 3.59Å; A41-I74 HydrophobicContact CB-CG1 3.69Å; A41-H77 PolarHBondContact O-CE1 3.26Å; A41-H77 PolarHBondContact O-ND1 3.24Å
42G98.1Very high97.8Very high0 Ų049.5 Ų49.50%026%0.264CS..THydrogen-bonded Turntrans91.813177.300000114.3M38 A39 E40 C57 F58M38-G42 PolarHBondContact O-N 2.8Å; A39-G42 PolarHBondContact O-N 2.85Å; E40-G42 PolarHBondContact O-N 3.46Å; E40-G42 VanDerWaalsContact O-N 3.14Å; G42-C57 CarbonylContact O-C 3.57Å; G42-C57 VanDerWaalsContact O-CA 3.31Å; G42-C57 WeakPolarHBondContact O-CA 3.47Å; G42-F58 WeakPolarHBondContact O-CD1 3.46Å; G42-F58 PolarHBondContact O-N 2.96Å
43F98.8Very high97.8Very high0 Ų048.7 Ų48.70%025%0.254CS..EExtended strand (participates in β ladder)trans-82147.8176.1-67.4-76.9000112.4F22 M38 A41 A55 Q56 C57 L64 W67 P73 H77F22-F43 HydrophobicContact CZ-CB 4.17Å; M38-F43 HydrophobicContact CB-CB 4.31Å; M38-F43 HydrophobicContact CE-CB 4.01Å; M38-F43 HydrophobicContact CE-CD2 4.25Å; M38-F43 HydrophobicContact CE-CG 4.09Å; M38-F43 WeakPolarHBondContact O-CB 3.31Å; M38-F43 PolarHBondContact O-N 3.14Å; M38-F43 HydrophobicContact SD-CD2 4.27Å; A41-F43 HydrophobicContact CB-CD2 3.84Å; A41-F43 HydrophobicContact CB-CE2 3.95Å; F43-A55 HydrophobicContact CB-CB 4.26Å; F43-A55 HydrophobicContact CD1-CB 4.08Å; F43-A55 HydrophobicContact CG-CB 4.38Å; F43-Q56 CarbonylContact C-O 3.44Å; F43-Q56 WeakPolarHBondContact CA-O 3.44Å; F43-C57 HydrophobicContact CD1-CB 4.41Å; F43-C57 HydrophobicContact CE1-CB 4.27Å; F43-L64 HydrophobicContact CE1-CD1 3.95Å; F43-L64 HydrophobicContact CE1-CG 4.43Å; F43-L64 HydrophobicContact CZ-CD1 3.74Å; F43-W67 HydrophobicContact CD2-CH2 4.35Å; F43-W67 HydrophobicContact CD2-CZ2 4.47Å; F43-W67 HydrophobicContact CE1-CZ2 4.33Å; F43-W67 AromaticContact CE2-CH2 3.91Å; F43-W67 HydrophobicContact CE2-CH2 3.91Å; F43-W67 HydrophobicContact CE2-CZ2 4.21Å; F43-W67 HydrophobicContact CZ-CH2 4.15Å; F43-W67 HydrophobicContact CZ-CZ2 4.14Å; F43-P73 HydrophobicContact CD2-CB 4.17Å; F43-P73 HydrophobicContact CE2-CB 4.17Å; F43-P73 WeakPolarHBondContact CE2-O 3.46Å; F43-H77 HydrophobicContact CE2-CB 3.87Å; F43-H77 HydrophobicContact CZ-CB 3.8Å
44I98.8Very high97.9Very high31 Ų3149.3 Ų49.316%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-117.9149.5161.657.3169.1000108.4R18 T21 A55 Q56 F58R18-I44 HydrophobicContact CB-CG2 3.98Å; R18-I44 HydrophobicContact CG-CG2 3.68Å; T21-I44 HydrophobicContact CG2-CB 4.07Å; T21-I44 HydrophobicContact CG2-CG2 4.04Å; T21-I44 WeakPolarHBondContact OG1-CA 3.42Å; I44-A55 CarbonylContact O-C 3.56Å; I44-A55 WeakPolarHBondContact O-CA 3.42Å; I44-Q56 HydrophobicContact CG1-CB 4.4Å; I44-Q56 VanDerWaalsContact CG1-O 3.27Å; I44-Q56 WeakPolarHBondContact CG1-O 3.48Å; I44-Q56 PolarHBondContact N-O 3.28Å; I44-Q56 PolarHBondContact O-N 3.3Å; I44-F58 HydrophobicContact CG2-CB 4.37Å
45H98.7Very high97.9Very high15 Ų1548.3 Ų48.37%0.06925%0.251CS..EExtended strand (participates in β ladder)trans-84.1126.7174.5-170.7-147.2000110T21 F22 K23 W25 P52 L54T21-H45 WeakPolarHBondContact O-CB 3.27Å; T21-H45 PolarHBondContact OG1-N 3.29Å; F22-H45 HydrophobicContact CB-CB 4.39Å; F22-H45 HydrophobicContact CD1-CB 3.7Å; F22-H45 HydrophobicContact CD2-CB 4.35Å; F22-H45 HydrophobicContact CE1-CB 3.9Å; F22-H45 HydrophobicContact CG-CB 3.91Å; F22-H45 HydrophobicContact CZ-CB 4.28Å; K23-H45 PolarHBondContact O-CE1 2.8Å; K23-H45 PolarHBondContact O-ND1 2.92Å; W25-H45 AromaticContact CE3-CD2 3.63Å; W25-H45 AromaticContact CE3-NE2 3.64Å; W25-H45 AromaticContact CZ3-CD2 3.58Å; W25-H45 AromaticContact CZ3-NE2 3.79Å; H45-P52 PolarHBondContact NE2-O 3.06Å; H45-L54 PolarHBondContact CD2-O 3.48Å; H45-L54 VanDerWaalsContact CD2-O 3.29Å
46C97.8Very high97.9Very high40 Ų4049.2 Ų49.227%0.2725%0.254SS..  trans-139.563.7-179.854.30000110.4L54 Q56C46-L54 CarbonylContact C-O 3.59Å; C46-L54 PolarHBondContact N-O 3.37Å; C46-L54 WeakPolarHBondContact O-CD2 3.24Å; C46-Q56 VanDerWaalsContact SG-CB 3.53Å
47P97.9Very high98Very high68 Ų6844.6 Ų44.644%0.44223%0.233SC..  trans-67.4149.1-172.229.7-35.6000111.9E51P47-E51 WeakPolarHBondContact CA-O 3.48Å
48T97Very high98Very high61 Ų6140.4 Ų40.437%0.37422%0.217SC..  trans-111174.3165.575.50000109.7N50 E51 L54T48-N50 PolarHBondContact O-N 3.28Å; T48-N50 PolarHBondContact OG1-N 2.79Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.42Å; T48-E51 PolarHBondContact N-O 3.02Å; T48-E51 CarbonylContact O-C 3.47Å; T48-E51 PolarHBondContact O-N 3.06Å; T48-E51 VanDerWaalsContact OG1-CB 3.32Å; T48-E51 WeakPolarHBondContact OG1-CB 3.27Å; T48-E51 WeakPolarHBondContact OG1-CG 3.36Å; T48-E51 PolarHBondContact OG1-N 3.29Å; T48-E51 VanDerWaalsContact OG1-N 3.1Å; T48-E51 PolarHBondContact OG1-OE2 2.62Å; T48-L54 HydrophobicContact CG2-CD2 4.03Å
49E95.3Very high97.9Very high197 Ų19740.5 Ų40.592%0.92122%0.218SC*.SBendtrans-61.6-30.9176-67.4-177.1176.100112.5
50N97Very high98Very high149 Ų14941.4 Ų41.480%0.79722%0.224SC*.SBendtrans-95.9-18.9-177.9-60.3-47.1000112.9T48 P52T48-N50 PolarHBondContact O-N 3.28Å; T48-N50 PolarHBondContact OG1-N 2.79Å; N50-P52 WeakPolarHBondContact O-CD 3.36Å
51E97.4Very high98Very high63 Ų6339.3 Ų39.329%0.29421%0.214SC..  trans-129.673.8-171.1-48.8167.4122.800108.1P47 T48 D53 L54 E65P47-E51 WeakPolarHBondContact CA-O 3.48Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.42Å; T48-E51 PolarHBondContact N-O 3.02Å; T48-E51 CarbonylContact O-C 3.47Å; T48-E51 PolarHBondContact O-N 3.06Å; T48-E51 VanDerWaalsContact OG1-CB 3.32Å; T48-E51 WeakPolarHBondContact OG1-CB 3.27Å; T48-E51 WeakPolarHBondContact OG1-CG 3.36Å; T48-E51 PolarHBondContact OG1-N 3.29Å; T48-E51 VanDerWaalsContact OG1-N 3.1Å; T48-E51 PolarHBondContact OG1-OE2 2.62Å; E51-D53 PolarHBondContact O-N 3.31Å; E51-L54 HydrophobicContact CB-CB 3.91Å; E51-L54 HydrophobicContact CB-CD2 4.48Å; E51-L54 WeakPolarHBondContact O-CB 3.41Å; E51-L54 PolarHBondContact O-N 3.04Å; E51-E65 WeakPolarHBondContact CB-OE2 3.32Å; E51-E65 WeakPolarHBondContact CG-OE2 3.3Å
52P97.3Very high98.1Very high87 Ų8743.2 Ų43.257%0.56523%0.23SC*.THydrogen-bonded Turntrans-72-15-169.329.6-36.7000114H45 N50H45-P52 PolarHBondContact NE2-O 3.06Å; N50-P52 WeakPolarHBondContact O-CD 3.36Å
53D97.9Very high98.1Very high22 Ų2247 Ų4712%0.11825%0.248CC..THydrogen-bonded Turntrans-112.817.7178.171.4-33.1000112.2W25 E51 A55 G66 W67W25-D53 HydrophobicContact CH2-CB 4.09Å; W25-D53 WeakPolarHBondContact CH2-O 3.21Å; W25-D53 HydrophobicContact CZ3-CB 3.92Å; W25-D53 VanDerWaalsContact CZ3-O 3.27Å; W25-D53 WeakPolarHBondContact CZ3-O 3.17Å; E51-D53 PolarHBondContact O-N 3.31Å; D53-A55 PolarHBondContact O-N 2.93Å; D53-A55 VanDerWaalsContact O-N 3.16Å; D53-G66 PolarHBondContact OD1-N 3.38Å; D53-G66 VanDerWaalsContact OD2-CA 3.31Å; D53-G66 WeakPolarHBondContact OD2-CA 3.25Å; D53-G66 PolarHBondContact OD2-N 3.09Å; D53-W67 PolarHBondContact OD2-N 3.15Å
54L98.7Very high98.1Very high13 Ų1348 Ų487%0.06825%0.253CS..  trans-62.2119.3179.4-176.963.3000111.2H45 C46 T48 E51 E63 E65H45-L54 PolarHBondContact CD2-O 3.48Å; H45-L54 VanDerWaalsContact CD2-O 3.29Å; C46-L54 CarbonylContact C-O 3.59Å; C46-L54 PolarHBondContact N-O 3.37Å; C46-L54 WeakPolarHBondContact O-CD2 3.24Å; T48-L54 HydrophobicContact CG2-CD2 4.03Å; E51-L54 HydrophobicContact CB-CB 3.91Å; E51-L54 HydrophobicContact CB-CD2 4.48Å; E51-L54 WeakPolarHBondContact O-CB 3.41Å; E51-L54 PolarHBondContact O-N 3.04Å; L54-E63 HydrophobicContact CD1-CB 4Å; L54-E63 HydrophobicContact CD1-CG 4.19Å; L54-E65 HydrophobicContact CD1-CB 4.06Å
55A98.8Very high98Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-118.6142.8176.400000111W25 M38 F43 I44 D53 E63 L64 W67W25-A55 HydrophobicContact CH2-CB 4.45Å; M38-A55 HydrophobicContact CE-CB 3.4Å; M38-A55 VanDerWaalsContact CE-CB 3.4Å; F43-A55 HydrophobicContact CB-CB 4.26Å; F43-A55 HydrophobicContact CD1-CB 4.08Å; F43-A55 HydrophobicContact CG-CB 4.38Å; I44-A55 CarbonylContact O-C 3.56Å; I44-A55 WeakPolarHBondContact O-CA 3.42Å; D53-A55 PolarHBondContact O-N 2.93Å; D53-A55 VanDerWaalsContact O-N 3.16Å; A55-E63 WeakPolarHBondContact O-CA 3.33Å; A55-L64 PolarHBondContact N-O 2.81Å; A55-L64 PolarHBondContact O-N 3.45Å; A55-L64 VanDerWaalsContact O-O 3.13Å; A55-W67 HydrophobicContact CB-CZ2 4.39Å
56Q98.8Very high98Very high30 Ų3053.5 Ų53.514%0.1429%0.293CS..EExtended strand (participates in β ladder)trans-128.5134.5-180-177.2-173.198.900110.8F43 I44 C46 F58 K62 E63F43-Q56 CarbonylContact C-O 3.44Å; F43-Q56 WeakPolarHBondContact CA-O 3.44Å; I44-Q56 HydrophobicContact CG1-CB 4.4Å; I44-Q56 VanDerWaalsContact CG1-O 3.27Å; I44-Q56 WeakPolarHBondContact CG1-O 3.48Å; I44-Q56 PolarHBondContact N-O 3.28Å; I44-Q56 PolarHBondContact O-N 3.3Å; C46-Q56 VanDerWaalsContact SG-CB 3.53Å; Q56-F58 PolarHBondContact O-N 3.47Å; Q56-K62 WeakPolarHBondContact CA-O 3.4Å; Q56-E63 HydrophobicContact CB-CG 3.96Å; Q56-E63 HydrophobicContact CG-CG 3.96Å; Q56-E63 PolarHBondContact NE2-OE1 3.09Å
57C98.8Very high98Very high0 Ų052.2 Ų52.20%028%0.282CS..EExtended strand (participates in β ladder)trans-66.5126.7170174.90000110.4G42 F43 F59 C60 F61 K62 H77G42-C57 CarbonylContact O-C 3.57Å; G42-C57 VanDerWaalsContact O-CA 3.31Å; G42-C57 WeakPolarHBondContact O-CA 3.47Å; F43-C57 HydrophobicContact CD1-CB 4.41Å; F43-C57 HydrophobicContact CE1-CB 4.27Å; C57-F59 PolarHBondContact O-N 3.18Å; C57-F59 VanDerWaalsContact O-N 3.07Å; C57-F59 PolarHBondContact SG-N 3.02Å; C57-F59 VanDerWaalsContact SG-N 3.41Å; C57-C60 WeakPolarHBondContact CB-SG 3.4Å; C57-F61 WeakPolarHBondContact O-CA 3.04Å; C57-F61 PolarHBondContact O-N 3.28Å; C57-K62 PolarHBondContact N-O 3.5Å; C57-H77 PolarHBondContact SG-CE1 2.98Å
58F98.5Very high98.1Very high2 Ų254.5 Ų54.51%0.00929%0.287CS..THydrogen-bonded Turntrans-64.5-16.9-178.486.6-82.4000114.4P12 F13 G42 I44 Q56 F86 R108P12-F58 HydrophobicContact CB-CB 3.74Å; P12-F58 HydrophobicContact CB-CD2 3.79Å; P12-F58 HydrophobicContact CB-CG 3.98Å; F13-F58 HydrophobicContact CB-CE2 4.34Å; F13-F58 AromaticContact CD1-CE2 3.67Å; F13-F58 HydrophobicContact CD1-CE2 3.67Å; F13-F58 AromaticContact CD1-CZ 3.99Å; F13-F58 HydrophobicContact CD1-CZ 3.99Å; F13-F58 HydrophobicContact CD2-CE2 4.03Å; F13-F58 AromaticContact CE1-CE2 3.92Å; F13-F58 HydrophobicContact CE1-CE2 3.92Å; F13-F58 HydrophobicContact CE1-CZ 4.37Å; F13-F58 HydrophobicContact CE2-CE2 4.27Å; F13-F58 AromaticContact CG-CE2 3.73Å; F13-F58 HydrophobicContact CG-CE2 3.73Å; F13-F58 HydrophobicContact CG-CZ 4.35Å; F13-F58 HydrophobicContact CZ-CE2 4.22Å; G42-F58 WeakPolarHBondContact O-CD1 3.46Å; G42-F58 PolarHBondContact O-N 2.96Å; I44-F58 HydrophobicContact CG2-CB 4.37Å; Q56-F58 PolarHBondContact O-N 3.47Å; F58-F86 HydrophobicContact CE1-CD1 4.38Å; F58-F86 AromaticContact CE1-CD2 3.55Å; F58-F86 HydrophobicContact CE1-CD2 3.55Å; F58-F86 HydrophobicContact CE1-CE1 4.35Å; F58-F86 AromaticContact CE1-CE2 3.5Å; F58-F86 HydrophobicContact CE1-CE2 3.5Å; F58-F86 HydrophobicContact CE1-CG 4.01Å; F58-F86 AromaticContact CE1-CZ 3.93Å; F58-F86 HydrophobicContact CE1-CZ 3.93Å; F58-F86 AromaticContact CZ-CD2 3.63Å; F58-F86 HydrophobicContact CZ-CD2 3.63Å; F58-F86 AromaticContact CZ-CE2 3.73Å; F58-F86 HydrophobicContact CZ-CE2 3.73Å; F58-F86 HydrophobicContact CZ-CG 4.4Å; F58-R108 PolarHBondContact O-NE 3.41Å
59F98.4Very high98.1Very high1 Ų154.4 Ų54.40%0.00429%0.287CS..THydrogen-bonded Turntrans-105.7-49.9-170.6-166.5-80.4000113.4F13 C57 F61 A85 F86 L104 E107 R108 N111F13-F59 HydrophobicContact CE1-CD2 4.36Å; F13-F59 HydrophobicContact CE1-CE2 4.34Å; C57-F59 PolarHBondContact O-N 3.18Å; C57-F59 VanDerWaalsContact O-N 3.07Å; C57-F59 PolarHBondContact SG-N 3.02Å; C57-F59 VanDerWaalsContact SG-N 3.41Å; F59-F61 WeakPolarHBondContact O-CD2 3.47Å; F59-F61 WeakPolarHBondContact O-CE2 3.47Å; F59-A85 HydrophobicContact CE1-CB 3.72Å; F59-A85 HydrophobicContact CZ-CB 4.06Å; F59-F86 HydrophobicContact CB-CB 3.83Å; F59-F86 HydrophobicContact CB-CG 4.45Å; F59-F86 HydrophobicContact CD1-CB 4.18Å; F59-F86 HydrophobicContact CD2-CB 4.24Å; F59-F86 HydrophobicContact CG-CB 3.82Å; F59-L104 HydrophobicContact CE2-CB 4.08Å; F59-L104 HydrophobicContact CE2-CD2 4.37Å; F59-L104 WeakPolarHBondContact CE2-O 3.31Å; F59-L104 HydrophobicContact CZ-CB 4.45Å; F59-L104 HydrophobicContact CZ-CD2 4.27Å; F59-L104 VanDerWaalsContact CZ-O 3.23Å; F59-L104 WeakPolarHBondContact CZ-O 3.42Å; F59-E107 HydrophobicContact CE1-CB 4.37Å; F59-E107 HydrophobicContact CZ-CB 4.1Å; F59-R108 HydrophobicContact CD2-CB 3.91Å; F59-R108 HydrophobicContact CD2-CG 4.28Å; F59-R108 HydrophobicContact CE1-CB 4.36Å; F59-R108 HydrophobicContact CE2-CB 3.72Å; F59-R108 HydrophobicContact CG-CB 4.31Å; F59-R108 HydrophobicContact CZ-CB 3.97Å; F59-N111 WeakPolarHBondContact O-CB 3.48Å; F59-N111 PolarHBondContact O-ND2 3.4Å; F59-N111 VanDerWaalsContact O-ND2 3.11Å
60C98.5Very high98.3Very high19 Ų1950.6 Ų50.613%0.12827%0.273CS..THydrogen-bonded Turntrans-96-8.9177.4690000113.4C57 K62 S81 C84C57-C60 WeakPolarHBondContact CB-SG 3.4Å; C60-K62 PolarHBondContact O-N 2.99Å; C60-S81 PolarHBondContact SG-OG 2.94Å; C60-S81 VanDerWaalsContact SG-OG 3.36Å; C60-C84 HydrophobicContact CB-CB 3.94Å; C60-C84 VanDerWaalsContact CB-SG 3.58Å
61F98.4Very high98.3Very high26 Ų2645.1 Ų45.111%0.11424%0.244CC..  trans61.219.5179.3-52.1-87.9000114.6C57 F59 E63 R108 N111 K112 K115C57-F61 WeakPolarHBondContact O-CA 3.04Å; C57-F61 PolarHBondContact O-N 3.28Å; F59-F61 WeakPolarHBondContact O-CD2 3.47Å; F59-F61 WeakPolarHBondContact O-CE2 3.47Å; F61-E63 PolarHBondContact O-N 3.5Å; F61-R108 HydrophobicContact CE2-CG 3.93Å; F61-R108 WeakPolarHBondContact CE2-O 3.27Å; F61-R108 HydrophobicContact CZ-CG 4.02Å; F61-N111 HydrophobicContact CD2-CB 4.03Å; F61-N111 HydrophobicContact CE2-CB 4.24Å; F61-K112 HydrophobicContact CD2-CB 4.19Å; F61-K112 HydrophobicContact CE1-CG 4.47Å; F61-K112 HydrophobicContact CE2-CB 3.57Å; F61-K112 HydrophobicContact CE2-CG 4.28Å; F61-K112 HydrophobicContact CZ-CB 3.79Å; F61-K112 HydrophobicContact CZ-CD 4.23Å; F61-K112 HydrophobicContact CZ-CG 4.09Å; F61-K115 HydrophobicContact CB-CD 3.46Å; F61-K115 VanDerWaalsContact CB-CD 3.46Å; F61-K115 HydrophobicContact CG-CD 4.45Å; F61-K115 WeakPolarHBondContact O-CD 3.22Å; F61-K115 PolarHBondContact O-NZ 2.86Å
62K98.6Very high98.4Very high84 Ų8445 Ų4537%0.36525%0.245SC..  trans-69.2123.7170.2-177.858.9175.71560109.2Q56 C57 C60 L64 H80Q56-K62 WeakPolarHBondContact CA-O 3.4Å; C57-K62 PolarHBondContact N-O 3.5Å; C60-K62 PolarHBondContact O-N 2.99Å; K62-L64 HydrophobicContact CG-CD2 4.4Å; K62-H80 HydrophobicContact CG-CB 4.34Å
63E98.6Very high98.4Very high80 Ų8040.8 Ų40.837%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-91.5140.6172.6-81.9146.8-177.600110.5L54 A55 Q56 F61 K115L54-E63 HydrophobicContact CD1-CB 4Å; L54-E63 HydrophobicContact CD1-CG 4.19Å; A55-E63 WeakPolarHBondContact O-CA 3.33Å; Q56-E63 HydrophobicContact CB-CG 3.96Å; Q56-E63 HydrophobicContact CG-CG 3.96Å; Q56-E63 PolarHBondContact NE2-OE1 3.09Å; F61-E63 PolarHBondContact O-N 3.5Å; E63-K115 IonicContact OE1-NZ 3.34Å; E63-K115 PolarHBondContact OE1-NZ 3.11Å; E63-K115 IonicContact OE2-NZ 2.9Å; E63-K115 PolarHBondContact OE2-NZ 3.36Å
64L98.6Very high98.5Very high21 Ų2141.9 Ų41.911%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-141.8139.3174.8-59.3177.3000109.1F43 A55 K62 W67 E76 H80F43-L64 HydrophobicContact CE1-CD1 3.95Å; F43-L64 HydrophobicContact CE1-CG 4.43Å; F43-L64 HydrophobicContact CZ-CD1 3.74Å; A55-L64 PolarHBondContact N-O 2.81Å; A55-L64 PolarHBondContact O-N 3.45Å; A55-L64 VanDerWaalsContact O-O 3.13Å; K62-L64 HydrophobicContact CG-CD2 4.4Å; L64-W67 HydrophobicContact CB-CZ2 3.97Å; L64-W67 HydrophobicContact CD1-CH2 4.37Å; L64-W67 HydrophobicContact CD1-CZ2 4.03Å; L64-W67 PolarHBondContact O-NE1 3.04Å; L64-E76 HydrophobicContact CD1-CB 4.34Å; L64-H80 HydrophobicContact CD1-CB 4.36Å; L64-H80 HydrophobicContact CD2-CB 3.8Å
65E98.2Very high98.5Very high106 Ų10645.8 Ų45.850%0.49524%0.241SC..  trans-139.7173177.159.3165.8-175.300108.8E51 L54E51-E65 WeakPolarHBondContact CB-OE2 3.32Å; E51-E65 WeakPolarHBondContact CG-OE2 3.3Å; L54-E65 HydrophobicContact CD1-CB 4.06Å
66G97.9Very high98.5Very high54 Ų5447.5 Ų47.556%0.55725%0.249SC*.  trans74.339.5-17800000112.2D53D53-G66 PolarHBondContact OD1-N 3.38Å; D53-G66 VanDerWaalsContact OD2-CA 3.31Å; D53-G66 WeakPolarHBondContact OD2-CA 3.25Å; D53-G66 PolarHBondContact OD2-N 3.09Å
67W98.6Very high98.4Very high14 Ų1446.1 Ų46.15%0.05324%0.243CC..  trans-67.5140.6179.1-70.986.7000111W25 F27 C33 M38 F43 D53 A55 L64 D71 P73 E76W25-W67 HydrophobicContact CH2-CB 4.32Å; W25-W67 AromaticContact CH2-CD1 3.61Å; W25-W67 HydrophobicContact CH2-CD2 4.5Å; W25-W67 AromaticContact CH2-CG 3.89Å; W25-W67 HydrophobicContact CH2-CG 3.89Å; W25-W67 HydrophobicContact CZ2-CB 4.23Å; W25-W67 HydrophobicContact CZ2-CD2 4.49Å; W25-W67 HydrophobicContact CZ2-CG 4.04Å; F27-W67 HydrophobicContact CD2-CB 4.27Å; F27-W67 HydrophobicContact CE2-CB 3.78Å; F27-W67 WeakPolarHBondContact CE2-O 3.39Å; F27-W67 WeakPolarHBondContact CZ-O 3.48Å; C33-W67 HydrophobicContact CB-CE3 4.08Å; M38-W67 HydrophobicContact CE-CD2 3.89Å; M38-W67 VanDerWaalsContact CE-CE2 3.4Å; M38-W67 HydrophobicContact CE-CE3 4.29Å; M38-W67 HydrophobicContact CE-CH2 3.83Å; M38-W67 HydrophobicContact CE-CZ2 3.38Å; M38-W67 HydrophobicContact CE-CZ3 4.26Å; M38-W67 HydrophobicContact SD-CD2 4.15Å; M38-W67 HydrophobicContact SD-CE3 3.93Å; M38-W67 HydrophobicContact SD-CH2 3.62Å; M38-W67 HydrophobicContact SD-CZ2 3.86Å; M38-W67 HydrophobicContact SD-CZ3 3.67Å; F43-W67 HydrophobicContact CD2-CH2 4.35Å; F43-W67 HydrophobicContact CD2-CZ2 4.47Å; F43-W67 HydrophobicContact CE1-CZ2 4.33Å; F43-W67 AromaticContact CE2-CH2 3.91Å; F43-W67 HydrophobicContact CE2-CH2 3.91Å; F43-W67 HydrophobicContact CE2-CZ2 4.21Å; F43-W67 HydrophobicContact CZ-CH2 4.15Å; F43-W67 HydrophobicContact CZ-CZ2 4.14Å; D53-W67 PolarHBondContact OD2-N 3.15Å; A55-W67 HydrophobicContact CB-CZ2 4.39Å; L64-W67 HydrophobicContact CB-CZ2 3.97Å; L64-W67 HydrophobicContact CD1-CH2 4.37Å; L64-W67 HydrophobicContact CD1-CZ2 4.03Å; L64-W67 PolarHBondContact O-NE1 3.04Å; W67-D71 HydrophobicContact CE3-CB 3.81Å; W67-D71 HydrophobicContact CZ3-CB 4.06Å; W67-P73 HydrophobicContact CH2-CB 4.1Å; W67-P73 HydrophobicContact CZ3-CB 4.1Å; W67-P73 HydrophobicContact CZ3-CG 4.09Å; W67-E76 HydrophobicContact CH2-CB 4.07Å; W67-E76 HydrophobicContact CZ3-CB 4.22Å; W67-E76 HydrophobicContact CZ3-CG 4.34Å
68E98.4Very high98.4Very high116 Ų11650.5 Ų50.554%0.54226%0.262SS..  trans-110.3151.4174.3-66.9-174.4-174.500110C33 D70 D71C33-E68 PolarHBondContact SG-O 3.38Å; E68-D70 PolarHBondContact O-N 3.22Å; E68-D70 VanDerWaalsContact O-N 3.09Å; E68-D71 PolarHBondContact N-OD2 3.41Å; E68-D71 WeakPolarHBondContact O-CB 3.41Å; E68-D71 PolarHBondContact O-N 2.86Å; E68-D71 VanDerWaalsContact O-N 3.11Å
69P98.1Very high98.4Very high58 Ų5857.1 Ų57.138%0.37729%0.291SS..THydrogen-bonded Turntrans-61.6-21.5-173.324.4-34.7000114F27 C31 A32F27-P69 HydrophobicContact CD1-CB 3.83Å; F27-P69 HydrophobicContact CE1-CB 4.06Å; F27-P69 HydrophobicContact CE1-CG 4.35Å; C31-P69 CarbonylContact C-O 3.49Å; C31-P69 WeakPolarHBondContact CA-O 3.43Å; C31-P69 HydrophobicContact CB-CB 4.2Å; C31-P69 WeakPolarHBondContact CB-O 3.38Å; A32-P69 PolarHBondContact N-O 2.73Å
70D98.2Very high98.4Very high117 Ų11761 Ų6163%0.62631%0.309SS*.THydrogen-bonded Turntrans-97.7-1.7-179.656.2-46.3000114.4E68 D72E68-D70 PolarHBondContact O-N 3.22Å; E68-D70 VanDerWaalsContact O-N 3.09Å; D70-D72 PolarHBondContact O-N 2.82Å
71D98.5Very high98.4Very high34 Ų3461.4 Ų61.418%0.18231%0.312CS..  trans-63.2131.7175.9-75.9-30.3000111.9A32 C33 W67 E68 P73 E76A32-D71 CarbonylContact C-O 3.38Å; A32-D71 VanDerWaalsContact CB-O 3.29Å; A32-D71 WeakPolarHBondContact CB-O 3.33Å; C33-D71 HydrophobicContact CB-CB 4.45Å; C33-D71 PolarHBondContact N-O 3.3Å; W67-D71 HydrophobicContact CE3-CB 3.81Å; W67-D71 HydrophobicContact CZ3-CB 4.06Å; E68-D71 PolarHBondContact N-OD2 3.41Å; E68-D71 WeakPolarHBondContact O-CB 3.41Å; E68-D71 PolarHBondContact O-N 2.86Å; E68-D71 VanDerWaalsContact O-N 3.11Å; D71-P73 WeakPolarHBondContact O-CD 3.48Å; D71-E76 HydrophobicContact CB-CG 4.47Å
72D98.5Very high98.3Very high60 Ų6065.1 Ų65.132%0.32134%0.341SS..  trans-87.5113.9165.7-171.1-31.2000109.6R37 D70 I74 E75 E76R37-D72 IonicContact NH2-OD1 3.29Å; R37-D72 PolarHBondContact NH2-OD1 3.2Å; R37-D72 IonicContact NH2-OD2 2.87Å; R37-D72 PolarHBondContact NH2-OD2 2.88Å; D70-D72 PolarHBondContact O-N 2.82Å; D72-I74 PolarHBondContact O-N 3.16Å; D72-I74 VanDerWaalsContact O-N 3.14Å; D72-I74 WeakPolarHBondContact OD1-CB 3.32Å; D72-I74 PolarHBondContact OD1-N 2.86Å; D72-E75 HydrophobicContact CB-CB 4.16Å; D72-E75 HydrophobicContact CB-CG 4.08Å; D72-E75 PolarHBondContact O-N 3.35Å; D72-E75 VanDerWaalsContact O-N 3.07Å; D72-E76 PolarHBondContact O-N 2.89Å
73P98.6Very high98.2Very high0 Ų064.7 Ų64.70%036%0.36CS..Hα-helixtrans-58.6-31.8-178.3-27.138.2000114.1C33 R37 M38 A41 F43 W67 D71 H77C33-P73 HydrophobicContact CB-CG 4.13Å; R37-P73 HydrophobicContact CB-CG 4.16Å; M38-P73 HydrophobicContact CG-CG 4.03Å; M38-P73 HydrophobicContact SD-CB 3.63Å; M38-P73 HydrophobicContact SD-CG 3.4Å; M38-P73 WeakPolarHBondContact SD-CG 3.38Å; A41-P73 HydrophobicContact CB-CB 3.59Å; F43-P73 HydrophobicContact CD2-CB 4.17Å; F43-P73 HydrophobicContact CE2-CB 4.17Å; F43-P73 WeakPolarHBondContact CE2-O 3.46Å; W67-P73 HydrophobicContact CH2-CB 4.1Å; W67-P73 HydrophobicContact CZ3-CB 4.1Å; W67-P73 HydrophobicContact CZ3-CG 4.09Å; D71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-H77 VanDerWaalsContact O-CB 3.23Å; P73-H77 WeakPolarHBondContact O-CB 3.44Å; P73-H77 PolarHBondContact O-N 3.09Å
74I98.3Very high98.2Very high44 Ų4461 Ų6123%0.22634%0.344CS..Hα-helixtrans-69.9-41179.1-65.5178.8000110.5A41 D72 H77 K78A41-I74 HydrophobicContact CB-CG1 3.69Å; D72-I74 PolarHBondContact O-N 3.16Å; D72-I74 VanDerWaalsContact O-N 3.14Å; D72-I74 WeakPolarHBondContact OD1-CB 3.32Å; D72-I74 PolarHBondContact OD1-N 2.86Å; I74-H77 PolarHBondContact O-N 3.05Å; I74-K78 HydrophobicContact CG2-CD 4.32Å; I74-K78 WeakPolarHBondContact O-CG 3.23Å; I74-K78 PolarHBondContact O-N 3.05Å
75E98.4Very high98Very high95 Ų9561.8 Ų61.844%0.44435%0.353SS..Hα-helixtrans-71.2-42.2-179.7-64.3-53.8124.800111.2D72 H77 K78 K79D72-E75 HydrophobicContact CB-CB 4.16Å; D72-E75 HydrophobicContact CB-CG 4.08Å; D72-E75 PolarHBondContact O-N 3.35Å; D72-E75 VanDerWaalsContact O-N 3.07Å; E75-H77 VanDerWaalsContact C-N 3.31Å; E75-H77 PolarHBondContact O-N 3.5Å; E75-K78 PolarHBondContact O-N 3.28Å; E75-K78 IonicContact OE1-NZ 3.22Å; E75-K78 PolarHBondContact OE1-NZ 2.84Å; E75-K78 IonicContact OE2-NZ 2.86Å; E75-K79 VanDerWaalsContact O-CB 3.31Å; E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 PolarHBondContact O-N 2.91Å
76E98.7Very high98Very high37 Ų3758.5 Ų58.517%0.17334%0.337CS..Hα-helixtrans-62.5-39173.1-72.1-56.4121.500111.5L64 W67 D71 D72 K78 K79 H80L64-E76 HydrophobicContact CD1-CB 4.34Å; W67-E76 HydrophobicContact CH2-CB 4.07Å; W67-E76 HydrophobicContact CZ3-CB 4.22Å; W67-E76 HydrophobicContact CZ3-CG 4.34Å; D71-E76 HydrophobicContact CB-CG 4.47Å; D72-E76 PolarHBondContact O-N 2.89Å; E76-K78 PolarHBondContact O-N 3.1Å; E76-K79 VanDerWaalsContact CD-NZ 3.3Å; E76-K79 PolarHBondContact O-N 2.9Å; E76-K79 IonicContact OE1-NZ 4Å; E76-K79 PolarHBondContact OE1-NZ 2.67Å; E76-K79 IonicContact OE2-NZ 3.28Å; E76-K79 PolarHBondContact OE2-NZ 3.23Å; E76-H80 WeakPolarHBondContact O-CB 3.28Å; E76-H80 PolarHBondContact O-CD2 2.84Å; E76-H80 VanDerWaalsContact O-CD2 3.28Å; E76-H80 PolarHBondContact O-N 2.93Å; E76-H80 IonicContact OE2-CD2 3.22Å; E76-H80 PolarHBondContact OE2-CD2 2.92Å; E76-H80 VanDerWaalsContact OE2-CD2 3.29Å; E76-H80 IonicContact OE2-NE2 2.69Å; E76-H80 PolarHBondContact OE2-NE2 3.32Å
77H98.6Very high97.9Very high1 Ų158.4 Ų58.41%0.00532%0.323CS..Hα-helixtrans-61.8-46.1173.3-168.3174.8000111.9A41 F43 C57 P73 I74 E75 K79 H80 S81 C84 L87A41-H77 PolarHBondContact O-CE1 3.26Å; A41-H77 PolarHBondContact O-ND1 3.24Å; F43-H77 HydrophobicContact CE2-CB 3.87Å; F43-H77 HydrophobicContact CZ-CB 3.8Å; C57-H77 PolarHBondContact SG-CE1 2.98Å; P73-H77 VanDerWaalsContact O-CB 3.23Å; P73-H77 WeakPolarHBondContact O-CB 3.44Å; P73-H77 PolarHBondContact O-N 3.09Å; I74-H77 PolarHBondContact O-N 3.05Å; E75-H77 VanDerWaalsContact C-N 3.31Å; E75-H77 PolarHBondContact O-N 3.5Å; H77-K79 PolarHBondContact O-N 3.28Å; H77-H80 PolarHBondContact O-N 3.43Å; H77-S81 CarbonylContact O-C 3.58Å; H77-S81 WeakPolarHBondContact O-CA 3.24Å; H77-S81 PolarHBondContact O-N 3.49Å; H77-C84 WeakPolarHBondContact NE2-CB 3.18Å; H77-C84 PolarHBondContact NE2-SG 3.17Å; H77-C84 VanDerWaalsContact NE2-SG 3.38Å; H77-L87 HydrophobicContact CB-CD2 4.27Å
78K98.3Very high97.6Very high91 Ų9162.4 Ų62.440%0.39635%0.353SS..Hα-helixtrans-61.7-44177.1-74169-173.7166.50112.1I74 E75 E76 H80 S82 L87I74-K78 HydrophobicContact CG2-CD 4.32Å; I74-K78 WeakPolarHBondContact O-CG 3.23Å; I74-K78 PolarHBondContact O-N 3.05Å; E75-K78 PolarHBondContact O-N 3.28Å; E75-K78 IonicContact OE1-NZ 3.22Å; E75-K78 PolarHBondContact OE1-NZ 2.84Å; E75-K78 IonicContact OE2-NZ 2.86Å; E76-K78 PolarHBondContact O-N 3.1Å; K78-H80 PolarHBondContact O-N 3.44Å; K78-S82 WeakPolarHBondContact O-CA 3.36Å; K78-S82 WeakPolarHBondContact O-CB 3.49Å; K78-S82 PolarHBondContact O-N 3.24Å; K78-L87 HydrophobicContact CG-CD1 3.91Å; K78-L87 HydrophobicContact CG-CD2 4.32Å
79K98.4Very high97.2Very high142 Ų14259 Ų5962%0.61734%0.34SS*.Hα-helixtrans-61.9-43.2-179.8177-178163.7-152.80111.9E75 E76 H77E75-K79 VanDerWaalsContact O-CB 3.31Å; E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 PolarHBondContact O-N 2.91Å; E76-K79 VanDerWaalsContact CD-NZ 3.3Å; E76-K79 PolarHBondContact O-N 2.9Å; E76-K79 IonicContact OE1-NZ 4Å; E76-K79 PolarHBondContact OE1-NZ 2.67Å; E76-K79 IonicContact OE2-NZ 3.28Å; E76-K79 PolarHBondContact OE2-NZ 3.23Å; H77-K79 PolarHBondContact O-N 3.28Å
80H98.3Very high96.6Very high81 Ų8166 Ų6638%0.37537%0.365SS..Hα-helixtrans-95-14.8-174.6-71.6-81000114.7K62 L64 E76 H77 K78K62-H80 HydrophobicContact CG-CB 4.34Å; L64-H80 HydrophobicContact CD1-CB 4.36Å; L64-H80 HydrophobicContact CD2-CB 3.8Å; E76-H80 WeakPolarHBondContact O-CB 3.28Å; E76-H80 PolarHBondContact O-CD2 2.84Å; E76-H80 VanDerWaalsContact O-CD2 3.28Å; E76-H80 PolarHBondContact O-N 2.93Å; E76-H80 IonicContact OE2-CD2 3.22Å; E76-H80 PolarHBondContact OE2-CD2 2.92Å; E76-H80 VanDerWaalsContact OE2-CD2 3.29Å; E76-H80 IonicContact OE2-NE2 2.69Å; E76-H80 PolarHBondContact OE2-NE2 3.32Å; H77-H80 PolarHBondContact O-N 3.43Å; K78-H80 PolarHBondContact O-N 3.44Å
81S97.9Very high96.1Very high28 Ų2864.6 Ų64.620%0.19635%0.353CS..Hα-helixtrans-154.156179.2-156.30000112.7C60 H77 G83 C84C60-S81 PolarHBondContact SG-OG 2.94Å; C60-S81 VanDerWaalsContact SG-OG 3.36Å; H77-S81 CarbonylContact O-C 3.58Å; H77-S81 WeakPolarHBondContact O-CA 3.24Å; H77-S81 PolarHBondContact O-N 3.49Å; S81-G83 PolarHBondContact O-N 3.36Å; S81-C84 VanDerWaalsContact O-CB 3.24Å; S81-C84 WeakPolarHBondContact O-CB 3.37Å; S81-C84 PolarHBondContact O-N 3.1Å
82S96.8Very high95.4Very high105 Ų10567.3 Ų67.373%0.73437%0.365SS*.THydrogen-bonded Turntrans-54.3-26.7-178.457.70000114.9K78 C84K78-S82 WeakPolarHBondContact O-CA 3.36Å; K78-S82 WeakPolarHBondContact O-CB 3.49Å; K78-S82 PolarHBondContact O-N 3.24Å; S82-C84 VanDerWaalsContact C-N 3.32Å; S82-C84 PolarHBondContact O-N 3.02Å
83G96.2Very high94.7Very high74 Ų7466.5 Ų66.576%0.76336%0.358SS*.THydrogen-bonded Turntrans-82.72.8177.100000115.4S81 A85S81-G83 PolarHBondContact O-N 3.36Å; G83-A85 PolarHBondContact O-N 3.28Å
84C98Very high94.1Very high4 Ų472.8 Ų72.83%0.02739%0.388CS..  trans-66.2117.5-179.6-177.20000111.2C60 H77 S81 S82 F86 L87C60-C84 HydrophobicContact CB-CB 3.94Å; C60-C84 VanDerWaalsContact CB-SG 3.58Å; H77-C84 WeakPolarHBondContact NE2-CB 3.18Å; H77-C84 PolarHBondContact NE2-SG 3.17Å; H77-C84 VanDerWaalsContact NE2-SG 3.38Å; S81-C84 VanDerWaalsContact O-CB 3.24Å; S81-C84 WeakPolarHBondContact O-CB 3.37Å; S81-C84 PolarHBondContact O-N 3.1Å; S82-C84 VanDerWaalsContact C-N 3.32Å; S82-C84 PolarHBondContact O-N 3.02Å; C84-F86 PolarHBondContact O-N 3.06Å; C84-F86 VanDerWaalsContact O-N 3.15Å; C84-L87 HydrophobicContact CB-CD1 4.06Å; C84-L87 HydrophobicContact CB-CG 4.21Å; C84-L87 WeakPolarHBondContact O-CB 3.36Å; C84-L87 PolarHBondContact O-N 3.27Å; C84-L87 VanDerWaalsContact O-N 3.09Å
85A96.2Very high93.8Very high36 Ų3676.8 Ų76.830%0.29841%0.406SS..G310 helixtrans-62.3-24.7-178.500000113.3F59 G83 L87 S88F59-A85 HydrophobicContact CE1-CB 3.72Å; F59-A85 HydrophobicContact CZ-CB 4.06Å; G83-A85 PolarHBondContact O-N 3.28Å; A85-L87 VanDerWaalsContact C-N 3.28Å; A85-L87 PolarHBondContact O-N 3.42Å; A85-S88 PolarHBondContact O-N 2.94Å; A85-S88 VanDerWaalsContact O-N 3.11Å
86F96.8Very high93.5Very high38 Ų3873.7 Ų73.717%0.16739%0.392CS..G310 helixtrans-59.5-37.2174.9179.7-102000112.4F58 F59 C84 S88 V89F58-F86 HydrophobicContact CE1-CD1 4.38Å; F58-F86 AromaticContact CE1-CD2 3.55Å; F58-F86 HydrophobicContact CE1-CD2 3.55Å; F58-F86 HydrophobicContact CE1-CE1 4.35Å; F58-F86 AromaticContact CE1-CE2 3.5Å; F58-F86 HydrophobicContact CE1-CE2 3.5Å; F58-F86 HydrophobicContact CE1-CG 4.01Å; F58-F86 AromaticContact CE1-CZ 3.93Å; F58-F86 HydrophobicContact CE1-CZ 3.93Å; F58-F86 AromaticContact CZ-CD2 3.63Å; F58-F86 HydrophobicContact CZ-CD2 3.63Å; F58-F86 AromaticContact CZ-CE2 3.73Å; F58-F86 HydrophobicContact CZ-CE2 3.73Å; F58-F86 HydrophobicContact CZ-CG 4.4Å; F59-F86 HydrophobicContact CB-CB 3.83Å; F59-F86 HydrophobicContact CB-CG 4.45Å; F59-F86 HydrophobicContact CD1-CB 4.18Å; F59-F86 HydrophobicContact CD2-CB 4.24Å; F59-F86 HydrophobicContact CG-CB 3.82Å; C84-F86 PolarHBondContact O-N 3.06Å; C84-F86 VanDerWaalsContact O-N 3.15Å; F86-S88 PolarHBondContact O-N 3.19Å; F86-S88 VanDerWaalsContact O-N 3.09Å; F86-V89 WeakPolarHBondContact O-CB 3.49Å; F86-V89 PolarHBondContact O-N 2.95Å
87L95.3Very high93.4Very high52 Ų5275.8 Ų75.827%0.27241%0.407SS..G310 helixtrans-63.1-18.1178-67.3171.1000113.3H77 K78 C84 A85H77-L87 HydrophobicContact CB-CD2 4.27Å; K78-L87 HydrophobicContact CG-CD1 3.91Å; K78-L87 HydrophobicContact CG-CD2 4.32Å; C84-L87 HydrophobicContact CB-CD1 4.06Å; C84-L87 HydrophobicContact CB-CG 4.21Å; C84-L87 WeakPolarHBondContact O-CB 3.36Å; C84-L87 PolarHBondContact O-N 3.27Å; C84-L87 VanDerWaalsContact O-N 3.09Å; A85-L87 VanDerWaalsContact C-N 3.28Å; A85-L87 PolarHBondContact O-N 3.42Å
88S92.6Very high93.2Very high97 Ų9781.7 Ų81.768%0.67844%0.438SS*.G310 helixtrans-96.1-6.4178.6-60.10000113.4A85 F86 K90A85-S88 PolarHBondContact O-N 2.94Å; A85-S88 VanDerWaalsContact O-N 3.11Å; F86-S88 PolarHBondContact O-N 3.19Å; F86-S88 VanDerWaalsContact O-N 3.09Å; S88-K90 PolarHBondContact O-N 2.84Å
89V91.2Very high93.1Very high45 Ų4579.3 Ų79.327%0.27344%0.439SS..  trans-77116.6-179.5-178.40000109F86 K91 L104F86-V89 WeakPolarHBondContact O-CB 3.49Å; F86-V89 PolarHBondContact O-N 2.95Å; V89-K91 WeakPolarHBondContact CG1-O 3.49Å; V89-L104 HydrophobicContact CG1-CD1 4.49Å; V89-L104 HydrophobicContact CG2-CD1 3.85Å; V89-L104 HydrophobicContact CG2-CD2 3.81Å
90K85.9Confident93Very high204 Ų20475.6 Ų75.689%0.88742%0.424SS*.  trans-96-17.4180-62.3-172.7179.8-176.50114.2S88S88-K90 PolarHBondContact O-N 2.84Å
91K87.3Confident92.8Very high88 Ų8872.4 Ų72.438%0.38341%0.409SS..SBendtrans-90.8145-178.9-68.5179.7175.4-179.70109.6V89 E95 L96 E100V89-K91 WeakPolarHBondContact CG1-O 3.49Å; K91-E95 HydrophobicContact CB-CB 4.35Å; K91-L96 HydrophobicContact CB-CD2 3.92Å; K91-L96 HydrophobicContact CD-CD2 4.02Å; K91-E100 IonicContact NZ-OE1 2.88Å; K91-E100 PolarHBondContact NZ-OE1 3.42Å; K91-E100 IonicContact NZ-OE2 2.76Å; K91-E100 PolarHBondContact NZ-OE2 3.42Å
92Q82.3Confident92.8Very high92 Ų9275.2 Ų75.243%0.4342%0.422SS..  trans-64.4154.2165.2-64.7-59.6-40.900109.5E94 E95Q92-E94 PolarHBondContact O-N 3.07Å; Q92-E95 HydrophobicContact CB-CG 4.22Å; Q92-E95 PolarHBondContact N-OE2 2.95Å; Q92-E95 WeakPolarHBondContact O-CB 3.36Å; Q92-E95 PolarHBondContact O-N 2.87Å
93F85Confident92.7Very high42 Ų4277.5 Ų77.518%0.18442%0.419CS..G310 helixtrans-59.8-38.2-173.5178-103.1000112.1L6 F13 L14 E95 L96 F101L6-F93 HydrophobicContact CD1-CE1 4.02Å; L6-F93 HydrophobicContact CD1-CZ 4.48Å; F13-F93 HydrophobicContact CB-CD1 4.36Å; F13-F93 HydrophobicContact CB-CD2 3.5Å; F13-F93 VanDerWaalsContact CB-CD2 3.5Å; F13-F93 HydrophobicContact CB-CE1 4.21Å; F13-F93 HydrophobicContact CB-CE2 3.28Å; F13-F93 HydrophobicContact CB-CG 4.02Å; F13-F93 HydrophobicContact CB-CZ 3.68Å; F13-F93 AromaticContact CD1-CD2 3.76Å; F13-F93 HydrophobicContact CD1-CD2 3.76Å; F13-F93 AromaticContact CD1-CE2 3.53Å; F13-F93 HydrophobicContact CD1-CE2 3.53Å; F13-F93 HydrophobicContact CD2-CE2 4.39Å; F13-F93 HydrophobicContact CE1-CE2 4.43Å; F13-F93 AromaticContact CG-CD2 3.96Å; F13-F93 HydrophobicContact CG-CD2 3.96Å; F13-F93 AromaticContact CG-CE2 3.5Å; F13-F93 HydrophobicContact CG-CE2 3.5Å; F13-F93 HydrophobicContact CG-CZ 4.15Å; L14-F93 HydrophobicContact CD2-CD1 3.53Å; L14-F93 HydrophobicContact CD2-CE1 3.91Å; L14-F93 HydrophobicContact CD2-CG 4.5Å; F93-E95 PolarHBondContact O-N 3.42Å; F93-L96 HydrophobicContact CD2-CD1 3.87Å; F93-L96 HydrophobicContact CE2-CD1 4.45Å; F93-L96 WeakPolarHBondContact O-CB 3.43Å; F93-L96 PolarHBondContact O-N 2.88Å; F93-F101 HydrophobicContact CD2-CD2 4.46Å; F93-F101 AromaticContact CE2-CD2 3.36Å; F93-F101 HydrophobicContact CE2-CD2 3.36Å; F93-F101 AromaticContact CE2-CE2 3.5Å; F93-F101 HydrophobicContact CE2-CE2 3.5Å; F93-F101 VanDerWaalsContact CE2-CE2 3.5Å; F93-F101 HydrophobicContact CE2-CG 4.42Å; F93-F101 AromaticContact CZ-CD2 3.82Å; F93-F101 HydrophobicContact CZ-CD2 3.82Å; F93-F101 AromaticContact CZ-CE2 3.72Å; F93-F101 HydrophobicContact CZ-CE2 3.72Å
94E85.3Confident92.7Very high133 Ų13375.4 Ų75.462%0.62139%0.39SS*.G310 helixtrans-65.9-18.5179.6-59.877.2-169.300112.8Q92Q92-E94 PolarHBondContact O-N 3.07Å
95E92Very high92.7Very high127 Ų12776.3 Ų76.359%0.59339%0.394SS*.G310 helixtrans-95.9-5.4-179.5-59.2174.5176.500112.9K91 Q92 F93K91-E95 HydrophobicContact CB-CB 4.35Å; Q92-E95 HydrophobicContact CB-CG 4.22Å; Q92-E95 PolarHBondContact N-OE2 2.95Å; Q92-E95 WeakPolarHBondContact O-CB 3.36Å; Q92-E95 PolarHBondContact O-N 2.87Å; F93-E95 PolarHBondContact O-N 3.42Å
96L92.7Very high92.7Very high31 Ų3181.9 Ų81.916%0.16241%0.408CS..  trans-73135.7178.1-64.7174.1000110.5K91 F93 E100 L104K91-L96 HydrophobicContact CB-CD2 3.92Å; K91-L96 HydrophobicContact CD-CD2 4.02Å; F93-L96 HydrophobicContact CD2-CD1 3.87Å; F93-L96 HydrophobicContact CE2-CD1 4.45Å; F93-L96 WeakPolarHBondContact O-CB 3.43Å; F93-L96 PolarHBondContact O-N 2.88Å; L96-E100 HydrophobicContact CB-CB 4.44Å; L96-E100 HydrophobicContact CD2-CB 4.11Å; L96-L104 HydrophobicContact CD1-CD1 3.82Å
97T95.9Very high92.8Very high80 Ų8083.1 Ų83.149%0.49141%0.414SS..  trans-67155.3163.163.60000109.9G99 E100 F101T97-G99 PolarHBondContact O-N 2.76Å; T97-E100 WeakPolarHBondContact CB-OE2 3.38Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.41Å; T97-E100 PolarHBondContact N-OE2 3.22Å; T97-E100 PolarHBondContact O-N 2.71Å; T97-E100 VanDerWaalsContact OG1-CD 3.3Å; T97-E100 VanDerWaalsContact OG1-CG 3.24Å; T97-E100 WeakPolarHBondContact OG1-CG 3.46Å; T97-E100 PolarHBondContact OG1-N 2.87Å; T97-E100 PolarHBondContact OG1-OE2 3.23Å; T97-F101 PolarHBondContact O-N 2.85Å
98L95.2Very high92.9Very high125 Ų12582 Ų8265%0.65441%0.406SS*.Hα-helixtrans-54.9-37.8176-178.263.5000112.3F101 L102L98-F101 HydrophobicContact CD1-CD1 4.26Å; L98-F101 PolarHBondContact O-N 3.03Å; L98-L102 HydrophobicContact CD1-CD1 4.26Å; L98-L102 HydrophobicContact CD1-CG 4.21Å; L98-L102 HydrophobicContact CG-CD1 4.04Å; L98-L102 HydrophobicContact CG-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.34Å; L98-L102 PolarHBondContact O-N 3.25Å
99G96.5Very high93.2Very high41 Ų4180.6 Ų80.642%0.42339%0.394SS..Hα-helixtrans-67.6-36.817800000113.6T97 K103T97-G99 PolarHBondContact O-N 2.76Å; G99-K103 VanDerWaalsContact O-CG 3.31Å; G99-K103 WeakPolarHBondContact O-CG 3.31Å; G99-K103 PolarHBondContact O-N 3.11Å
100E95.2Very high93.5Very high64 Ų6482.6 Ų82.630%0.29940%0.398SS..Hα-helixtrans-67.9-44.5173.1-71.5164.9137.600110.8K91 L96 T97 K103 L104K91-E100 IonicContact NZ-OE1 2.88Å; K91-E100 PolarHBondContact NZ-OE1 3.42Å; K91-E100 IonicContact NZ-OE2 2.76Å; K91-E100 PolarHBondContact NZ-OE2 3.42Å; L96-E100 HydrophobicContact CB-CB 4.44Å; L96-E100 HydrophobicContact CD2-CB 4.11Å; T97-E100 WeakPolarHBondContact CB-OE2 3.38Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.41Å; T97-E100 PolarHBondContact N-OE2 3.22Å; T97-E100 PolarHBondContact O-N 2.71Å; T97-E100 VanDerWaalsContact OG1-CD 3.3Å; T97-E100 VanDerWaalsContact OG1-CG 3.24Å; T97-E100 WeakPolarHBondContact OG1-CG 3.46Å; T97-E100 PolarHBondContact OG1-N 2.87Å; T97-E100 PolarHBondContact OG1-OE2 3.23Å; E100-K103 PolarHBondContact O-N 2.97Å; E100-L104 PolarHBondContact O-N 2.97Å; E100-L104 VanDerWaalsContact O-N 3.1Å
101F95.4Very high94.1Very high14 Ų1475.2 Ų75.26%0.06137%0.369CS..Hα-helixtrans-56.9-51.9176.3169.8-110.2000112.4W10 F13 F93 T97 L98 K103 L104 D105W10-F101 HydrophobicContact CB-CZ 4.38Å; W10-F101 AromaticContact CD1-CZ 3.86Å; W10-F101 AromaticContact CD2-CE1 3.96Å; W10-F101 HydrophobicContact CD2-CE1 3.96Å; W10-F101 AromaticContact CD2-CZ 3.59Å; W10-F101 HydrophobicContact CD2-CZ 3.59Å; W10-F101 AromaticContact CE2-CE1 3.86Å; W10-F101 AromaticContact CE2-CZ 3.7Å; W10-F101 HydrophobicContact CE3-CE1 4.07Å; W10-F101 HydrophobicContact CE3-CZ 4.03Å; W10-F101 AromaticContact CG-CZ 3.74Å; W10-F101 HydrophobicContact CG-CZ 3.74Å; W10-F101 HydrophobicContact CH2-CE1 4.08Å; W10-F101 AromaticContact CZ2-CE1 3.94Å; W10-F101 HydrophobicContact CZ2-CE1 3.94Å; W10-F101 HydrophobicContact CZ2-CZ 4.26Å; W10-F101 HydrophobicContact CZ3-CE1 4.13Å; W10-F101 AromaticContact NE1-CZ 3.82Å; F13-F101 HydrophobicContact CD1-CE2 4.2Å; F13-F101 AromaticContact CD2-CE2 3.99Å; F13-F101 HydrophobicContact CD2-CE2 3.99Å; F13-F101 HydrophobicContact CE1-CD2 4.42Å; F13-F101 HydrophobicContact CE1-CE2 4.07Å; F13-F101 AromaticContact CE2-CE2 3.83Å; F13-F101 HydrophobicContact CE2-CE2 3.83Å; F13-F101 HydrophobicContact CE2-CZ 4.41Å; F13-F101 HydrophobicContact CG-CE2 4.16Å; F13-F101 AromaticContact CZ-CE2 3.88Å; F13-F101 HydrophobicContact CZ-CE2 3.88Å; F93-F101 HydrophobicContact CD2-CD2 4.46Å; F93-F101 AromaticContact CE2-CD2 3.36Å; F93-F101 HydrophobicContact CE2-CD2 3.36Å; F93-F101 AromaticContact CE2-CE2 3.5Å; F93-F101 HydrophobicContact CE2-CE2 3.5Å; F93-F101 VanDerWaalsContact CE2-CE2 3.5Å; F93-F101 HydrophobicContact CE2-CG 4.42Å; F93-F101 AromaticContact CZ-CD2 3.82Å; F93-F101 HydrophobicContact CZ-CD2 3.82Å; F93-F101 AromaticContact CZ-CE2 3.72Å; F93-F101 HydrophobicContact CZ-CE2 3.72Å; T97-F101 PolarHBondContact O-N 2.85Å; L98-F101 HydrophobicContact CD1-CD1 4.26Å; L98-F101 PolarHBondContact O-N 3.03Å; F101-K103 PolarHBondContact O-N 3.17Å; F101-L104 WeakPolarHBondContact O-CB 3.5Å; F101-L104 PolarHBondContact O-N 3.18Å; F101-D105 HydrophobicContact CE2-CB 4.37Å; F101-D105 HydrophobicContact CZ-CB 4.22Å; F101-D105 PolarHBondContact O-N 3.17Å
102L96.4Very high94.6Very high87 Ų8776 Ų7646%0.45537%0.372SS..Hα-helixtrans-63.2-31.3-178.5-70.4174000112.6L98 R106L98-L102 HydrophobicContact CD1-CD1 4.26Å; L98-L102 HydrophobicContact CD1-CG 4.21Å; L98-L102 HydrophobicContact CG-CD1 4.04Å; L98-L102 HydrophobicContact CG-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.34Å; L98-L102 PolarHBondContact O-N 3.25Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.9Å
103K95.9Very high95.4Very high154 Ų15476.1 Ų76.167%0.6738%0.375SS*.Hα-helixtrans-65.4-44.1172.1-74.5173.6-176.5178.80111.3G99 E100 F101 R106 E107G99-K103 VanDerWaalsContact O-CG 3.31Å; G99-K103 WeakPolarHBondContact O-CG 3.31Å; G99-K103 PolarHBondContact O-N 3.11Å; E100-K103 PolarHBondContact O-N 2.97Å; F101-K103 PolarHBondContact O-N 3.17Å; K103-R106 PolarHBondContact O-N 2.98Å; K103-E107 PolarHBondContact O-N 3.05Å
104L96Very high96Very high30 Ų3077 Ų7716%0.15739%0.389CS..Hα-helixtrans-64.8-46.6176.9-72.2175.5000111.9F13 F59 V89 L96 E100 F101 R106 E107 R108F13-L104 HydrophobicContact CE1-CB 4.47Å; F59-L104 HydrophobicContact CE2-CB 4.08Å; F59-L104 HydrophobicContact CE2-CD2 4.37Å; F59-L104 WeakPolarHBondContact CE2-O 3.31Å; F59-L104 HydrophobicContact CZ-CB 4.45Å; F59-L104 HydrophobicContact CZ-CD2 4.27Å; F59-L104 VanDerWaalsContact CZ-O 3.23Å; F59-L104 WeakPolarHBondContact CZ-O 3.42Å; V89-L104 HydrophobicContact CG1-CD1 4.49Å; V89-L104 HydrophobicContact CG2-CD1 3.85Å; V89-L104 HydrophobicContact CG2-CD2 3.81Å; L96-L104 HydrophobicContact CD1-CD1 3.82Å; E100-L104 PolarHBondContact O-N 2.97Å; E100-L104 VanDerWaalsContact O-N 3.1Å; F101-L104 WeakPolarHBondContact O-CB 3.5Å; F101-L104 PolarHBondContact O-N 3.18Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.25Å; L104-E107 PolarHBondContact O-N 3.3Å; L104-E107 VanDerWaalsContact O-N 3.1Å; L104-R108 PolarHBondContact O-N 3.36Å
105D97.2Very high96.5Very high23 Ų2372.7 Ų72.712%0.12337%0.369CS..Hα-helixtrans-65.6-31.5-179.7-164.451.2000112.3W10 F13 F101 R108 T109W10-D105 PolarHBondContact NE1-OD2 3.1Å; F13-D105 HydrophobicContact CZ-CB 4.18Å; F101-D105 HydrophobicContact CE2-CB 4.37Å; F101-D105 HydrophobicContact CZ-CB 4.22Å; F101-D105 PolarHBondContact O-N 3.17Å; D105-R108 PolarHBondContact O-N 2.99Å; D105-R108 IonicContact OD1-NH1 2.86Å; D105-R108 PolarHBondContact OD1-NH1 3.46Å; D105-T109 WeakPolarHBondContact O-CB 3.44Å; D105-T109 PolarHBondContact O-N 3.35Å; D105-T109 PolarHBondContact O-OG1 3.38Å
106R97.8Very high96.8Very high153 Ų15371.1 Ų71.158%0.57736%0.362SS*.Hα-helixtrans-60.5-47.2169.7-179.5-177.7-178.4-117.210.8111.9L102 K103 L104 T109 K110L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 2.9Å; K103-R106 PolarHBondContact O-N 2.98Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.25Å; R106-T109 PolarHBondContact O-N 3.03Å; R106-K110 WeakPolarHBondContact O-CG 3.29Å; R106-K110 PolarHBondContact O-N 3.49Å; R106-K110 VanDerWaalsContact O-N 3.1Å
107E97.9Very high97.1Very high64 Ų6473.8 Ų73.830%0.29938%0.379SS..Hα-helixtrans-67.6-40.5178.5-62.2-47.1126.500111.6F59 K103 L104 T109 K110 N111F59-E107 HydrophobicContact CE1-CB 4.37Å; F59-E107 HydrophobicContact CZ-CB 4.1Å; K103-E107 PolarHBondContact O-N 3.05Å; L104-E107 PolarHBondContact O-N 3.3Å; L104-E107 VanDerWaalsContact O-N 3.1Å; E107-T109 VanDerWaalsContact C-N 3.3Å; E107-T109 PolarHBondContact O-N 3.27Å; E107-K110 WeakPolarHBondContact O-CB 3.48Å; E107-K110 PolarHBondContact O-N 3.32Å; E107-K110 IonicContact OE1-NZ 2.63Å; E107-K110 PolarHBondContact OE1-NZ 3.34Å; E107-K110 WeakPolarHBondContact OE2-CD 3.36Å; E107-K110 IonicContact OE2-NZ 2.7Å; E107-K110 PolarHBondContact OE2-NZ 2.95Å; E107-N111 VanDerWaalsContact O-CG 3.31Å; E107-N111 PolarHBondContact O-N 2.9Å
108R98Very high97.1Very high29 Ų2973.6 Ų73.611%0.10938%0.375CS..Hα-helixtrans-57.1-43.6171.4179.8173.1169.8-119.17.7112.1A9 F58 F59 F61 L104 D105 K110 N111 K112A9-R108 VanDerWaalsContact O-CZ 3.29Å; A9-R108 PolarHBondContact O-NH1 3.43Å; A9-R108 PolarHBondContact O-NH2 2.9Å; F58-R108 PolarHBondContact O-NE 3.41Å; F59-R108 HydrophobicContact CD2-CB 3.91Å; F59-R108 HydrophobicContact CD2-CG 4.28Å; F59-R108 HydrophobicContact CE1-CB 4.36Å; F59-R108 HydrophobicContact CE2-CB 3.72Å; F59-R108 HydrophobicContact CG-CB 4.31Å; F59-R108 HydrophobicContact CZ-CB 3.97Å; F61-R108 HydrophobicContact CE2-CG 3.93Å; F61-R108 WeakPolarHBondContact CE2-O 3.27Å; F61-R108 HydrophobicContact CZ-CG 4.02Å; L104-R108 PolarHBondContact O-N 3.36Å; D105-R108 PolarHBondContact O-N 2.99Å; D105-R108 IonicContact OD1-NH1 2.86Å; D105-R108 PolarHBondContact OD1-NH1 3.46Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.85Å; R108-N111 WeakPolarHBondContact O-CB 3.48Å; R108-N111 PolarHBondContact O-N 2.7Å; R108-N111 VanDerWaalsContact O-N 3.17Å; R108-K112 PolarHBondContact O-N 3.1Å
109T97.9Very high97.2Very high67 Ų6770.8 Ų70.841%0.41136%0.361SS..Hα-helixtrans-61.3-41.5177.6-61.50000111.5D105 R106 E107 K112 I113D105-T109 WeakPolarHBondContact O-CB 3.44Å; D105-T109 PolarHBondContact O-N 3.35Å; D105-T109 PolarHBondContact O-OG1 3.38Å; R106-T109 PolarHBondContact O-N 3.03Å; E107-T109 VanDerWaalsContact C-N 3.3Å; E107-T109 PolarHBondContact O-N 3.27Å; T109-K112 WeakPolarHBondContact O-CB 3.34Å; T109-K112 PolarHBondContact O-N 3.34Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CG1 3.45Å; T109-I113 PolarHBondContact O-N 3.44Å
110K98.3Very high97.3Very high86 Ų8675.7 Ų75.737%0.37437%0.371SS..Hα-helixtrans-61.7-43.8173.5-67174.1-171.4167.30111.9R106 E107 R108 K112 I113 A114R106-K110 WeakPolarHBondContact O-CG 3.29Å; R106-K110 PolarHBondContact O-N 3.49Å; R106-K110 VanDerWaalsContact O-N 3.1Å; E107-K110 WeakPolarHBondContact O-CB 3.48Å; E107-K110 PolarHBondContact O-N 3.32Å; E107-K110 IonicContact OE1-NZ 2.63Å; E107-K110 PolarHBondContact OE1-NZ 3.34Å; E107-K110 WeakPolarHBondContact OE2-CD 3.36Å; E107-K110 IonicContact OE2-NZ 2.7Å; E107-K110 PolarHBondContact OE2-NZ 2.95Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.85Å; K110-K112 VanDerWaalsContact C-N 3.29Å; K110-K112 PolarHBondContact O-N 2.8Å; K110-I113 PolarHBondContact O-N 2.94Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 2.73Å
111N98.2Very high97.4Very high50 Ų5078.4 Ų78.427%0.26738%0.381SS..Hα-helixtrans-59.7-41.9177.6-64.8-19.6000111.4F59 F61 E107 R108 A114 K115F59-N111 WeakPolarHBondContact O-CB 3.48Å; F59-N111 PolarHBondContact O-ND2 3.4Å; F59-N111 VanDerWaalsContact O-ND2 3.11Å; F61-N111 HydrophobicContact CD2-CB 4.03Å; F61-N111 HydrophobicContact CE2-CB 4.24Å; E107-N111 VanDerWaalsContact O-CG 3.31Å; E107-N111 PolarHBondContact O-N 2.9Å; R108-N111 WeakPolarHBondContact O-CB 3.48Å; R108-N111 PolarHBondContact O-N 2.7Å; R108-N111 VanDerWaalsContact O-N 3.17Å; N111-A114 PolarHBondContact O-N 2.88Å; N111-K115 PolarHBondContact O-N 3.31Å
112K97.8Very high97.5Very high104 Ų10482.9 Ų82.945%0.45240%0.401SS..Hα-helixtrans-59.9-52.1176.3-170.8174.9177178.20111.5F61 R108 T109 K110 A114 K115 E116F61-K112 HydrophobicContact CD2-CB 4.19Å; F61-K112 HydrophobicContact CE1-CG 4.47Å; F61-K112 HydrophobicContact CE2-CB 3.57Å; F61-K112 HydrophobicContact CE2-CG 4.28Å; F61-K112 HydrophobicContact CZ-CB 3.79Å; F61-K112 HydrophobicContact CZ-CD 4.23Å; F61-K112 HydrophobicContact CZ-CG 4.09Å; R108-K112 PolarHBondContact O-N 3.1Å; T109-K112 WeakPolarHBondContact O-CB 3.34Å; T109-K112 PolarHBondContact O-N 3.34Å; K110-K112 VanDerWaalsContact C-N 3.29Å; K110-K112 PolarHBondContact O-N 2.8Å; K112-A114 VanDerWaalsContact C-N 3.29Å; K112-A114 PolarHBondContact O-N 2.99Å; K112-K115 PolarHBondContact O-N 3.07Å; K112-E116 WeakPolarHBondContact CE-OE1 3.48Å; K112-E116 WeakPolarHBondContact O-CG 3.36Å; K112-E116 PolarHBondContact O-N 3.39Å
113I98.3Very high97.6Very high94 Ų9484.4 Ų84.448%0.48241%0.406SS..Hα-helixtrans-59.3-42.5178.5-67.7166.9000110.7T109 K110 E116 T117T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CG1 3.45Å; T109-I113 PolarHBondContact O-N 3.44Å; K110-I113 PolarHBondContact O-N 2.94Å; I113-E116 PolarHBondContact O-N 2.98Å; I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.48Å; I113-T117 PolarHBondContact O-N 3.04Å; I113-T117 PolarHBondContact O-OG1 3.28Å
114A98.1Very high97.8Very high60 Ų6084.4 Ų84.450%0.49641%0.406SS..Hα-helixtrans-61.4-44.8178.600000111.9K110 N111 K112 N118K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 2.73Å; N111-A114 PolarHBondContact O-N 2.88Å; K112-A114 VanDerWaalsContact C-N 3.29Å; K112-A114 PolarHBondContact O-N 2.99Å; A114-N118 WeakPolarHBondContact O-CB 3.5Å; A114-N118 PolarHBondContact O-N 3Å
115K96.8Very high97.9Very high43 Ų4386.9 Ų86.919%0.18742%0.417CS..Hα-helixtrans-60.6-52.3175.6-179.6173.5179.4170.40111.5F61 E63 N111 K112 T117 N118 N119F61-K115 HydrophobicContact CB-CD 3.46Å; F61-K115 VanDerWaalsContact CB-CD 3.46Å; F61-K115 HydrophobicContact CG-CD 4.45Å; F61-K115 WeakPolarHBondContact O-CD 3.22Å; F61-K115 PolarHBondContact O-NZ 2.86Å; E63-K115 IonicContact OE1-NZ 3.34Å; E63-K115 PolarHBondContact OE1-NZ 3.11Å; E63-K115 IonicContact OE2-NZ 2.9Å; E63-K115 PolarHBondContact OE2-NZ 3.36Å; N111-K115 PolarHBondContact O-N 3.31Å; K112-K115 PolarHBondContact O-N 3.07Å; K115-T117 VanDerWaalsContact C-N 3.32Å; K115-T117 PolarHBondContact O-N 3.22Å; K115-N118 PolarHBondContact O-N 3.39Å; K115-N119 PolarHBondContact O-N 3.45Å; K115-N119 PolarHBondContact O-OD1 3.05Å
116E97.3Very high97.9Very high95 Ų9590.9 Ų90.944%0.44443%0.434SS..Hα-helixtrans-60.4-41.7-179.1-70.7175.8-172.900112.2K112 I113 N119 K120K112-E116 WeakPolarHBondContact CE-OE1 3.48Å; K112-E116 WeakPolarHBondContact O-CG 3.36Å; K112-E116 PolarHBondContact O-N 3.39Å; I113-E116 PolarHBondContact O-N 2.98Å; E116-N119 PolarHBondContact O-N 3.02Å; E116-K120 WeakPolarHBondContact O-CG 3.48Å; E116-K120 PolarHBondContact O-N 3.35Å
117T98.3Very high98Very high86 Ų8687.4 Ų87.453%0.52843%0.43SS..Hα-helixtrans-65.1-41.6177.7-56.70000111.4I113 K115 K120 K121I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.48Å; I113-T117 PolarHBondContact O-N 3.04Å; I113-T117 PolarHBondContact O-OG1 3.28Å; K115-T117 VanDerWaalsContact C-N 3.32Å; K115-T117 PolarHBondContact O-N 3.22Å; T117-K120 PolarHBondContact O-N 3.49Å; T117-K121 WeakPolarHBondContact O-CB 3.49Å; T117-K121 PolarHBondContact O-N 3.08Å
118N97.3Very high98Very high76 Ų7686.5 Ų86.541%0.40643%0.434SS..Hα-helixtrans-66-38.2177.7-170.458.2000112.1A114 K115 K121 K122A114-N118 WeakPolarHBondContact O-CB 3.5Å; A114-N118 PolarHBondContact O-N 3Å; K115-N118 PolarHBondContact O-N 3.39Å; N118-K121 WeakPolarHBondContact O-CB 3.03Å; N118-K121 PolarHBondContact O-N 2.9Å; N118-K122 WeakPolarHBondContact O-CG 3.35Å; N118-K122 PolarHBondContact O-N 3.07Å
119N96.2Very high98Very high67 Ų6792.2 Ų92.236%0.35846%0.46SS..Hα-helixtrans-63.1-49.3175.2-71.51.3000111.2K115 E116 K121 K122 E123K115-N119 PolarHBondContact O-N 3.45Å; K115-N119 PolarHBondContact O-OD1 3.05Å; E116-N119 PolarHBondContact O-N 3.02Å; N119-K121 VanDerWaalsContact C-N 3.26Å; N119-K121 PolarHBondContact O-N 3.24Å; N119-K122 WeakPolarHBondContact O-CB 2.91Å; N119-K122 PolarHBondContact O-N 2.74Å; N119-K122 VanDerWaalsContact O-N 3.07Å; N119-E123 WeakPolarHBondContact O-CG 3.28Å; N119-E123 PolarHBondContact O-N 3.37Å
120K98.2Very high98.1Very high144 Ų14496 Ų9663%0.62647%0.47SS*.Hα-helixtrans-58.2-37.9175.4-73.8-179.7176.5177.20112.7E116 T117 F124E116-K120 WeakPolarHBondContact O-CG 3.48Å; E116-K120 PolarHBondContact O-N 3.35Å; T117-K120 PolarHBondContact O-N 3.49Å; K120-F124 WeakPolarHBondContact O-CB 3.39Å; K120-F124 PolarHBondContact O-N 3.46Å
121K98.4Very high98.1Very high120 Ų12095.6 Ų95.652%0.52248%0.475SS..Hα-helixtrans-61.9-46.2174.9179.3-179.9169.4-178.10111.4T117 N118 N119 F124 E125T117-K121 WeakPolarHBondContact O-CB 3.49Å; T117-K121 PolarHBondContact O-N 3.08Å; N118-K121 WeakPolarHBondContact O-CB 3.03Å; N118-K121 PolarHBondContact O-N 2.9Å; N119-K121 VanDerWaalsContact C-N 3.26Å; N119-K121 PolarHBondContact O-N 3.24Å; K121-F124 PolarHBondContact O-N 3.49Å; K121-E125 WeakPolarHBondContact CE-OE1 3.34Å; K121-E125 IonicContact NZ-OE1 3.91Å; K121-E125 WeakPolarHBondContact O-CG 3.5Å; K121-E125 PolarHBondContact O-N 3.01Å
122K98.1Very high98.1Very high108 Ų108101.1 Ų101.147%0.4749%0.492SS..Hα-helixtrans-62.1-44.9177.3-71.2176.9177.7-176.40112.2N118 N119 F124 E125 E126N118-K122 WeakPolarHBondContact O-CG 3.35Å; N118-K122 PolarHBondContact O-N 3.07Å; N119-K122 WeakPolarHBondContact O-CB 2.91Å; N119-K122 PolarHBondContact O-N 2.74Å; N119-K122 VanDerWaalsContact O-N 3.07Å; K122-F124 VanDerWaalsContact C-N 3.3Å; K122-F124 PolarHBondContact O-N 2.88Å; K122-E125 PolarHBondContact O-N 3.15Å; K122-E125 VanDerWaalsContact O-N 3.15Å; K122-E126 WeakPolarHBondContact O-CG 3.48Å; K122-E126 PolarHBondContact O-N 3.33Å
123E98.3Very high98.1Very high120 Ų12099 Ų9956%0.56149%0.49SS*.Hα-helixtrans-57.8-43.3176.3-70.8169-16700111.8N119 E126 T127N119-E123 WeakPolarHBondContact O-CG 3.28Å; N119-E123 PolarHBondContact O-N 3.37Å; E123-E126 PolarHBondContact O-N 3.05Å; E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 PolarHBondContact O-N 3.39Å; E123-T127 PolarHBondContact O-OG1 3.31Å
124F98.6Very high98.1Very high153 Ų15396.5 Ų96.567%0.67148%0.483SS*.Hα-helixtrans-63-46.1174.8176.5-95.6000111.7K120 K121 K122 E126 T127 A128K120-F124 WeakPolarHBondContact O-CB 3.39Å; K120-F124 PolarHBondContact O-N 3.46Å; K121-F124 PolarHBondContact O-N 3.49Å; K122-F124 VanDerWaalsContact C-N 3.3Å; K122-F124 PolarHBondContact O-N 2.88Å; F124-E126 PolarHBondContact O-N 2.98Å; F124-T127 PolarHBondContact O-N 3.42Å; F124-A128 WeakPolarHBondContact O-CB 3.32Å; F124-A128 PolarHBondContact O-N 2.86Å
125E98.6Very high98.1Very high82 Ų8298.8 Ų98.838%0.38349%0.486SS..Hα-helixtrans-61.7-40.6178.2-74.2173.9-179.800112.5K121 K122 A128 K129K121-E125 WeakPolarHBondContact CE-OE1 3.34Å; K121-E125 IonicContact NZ-OE1 3.91Å; K121-E125 WeakPolarHBondContact O-CG 3.5Å; K121-E125 PolarHBondContact O-N 3.01Å; K122-E125 PolarHBondContact O-N 3.15Å; K122-E125 VanDerWaalsContact O-N 3.15Å; E125-A128 PolarHBondContact O-N 2.95Å; E125-K129 WeakPolarHBondContact O-CG 3.38Å; E125-K129 PolarHBondContact O-N 3.38Å
126E98.5Very high98.2Very high107 Ų107101.5 Ų101.550%0.550%0.5SS..Hα-helixtrans-64.8-43.2174.6-74.7178.8-168.600112.2K122 E123 F124 A128 K129 K130K122-E126 WeakPolarHBondContact O-CG 3.48Å; K122-E126 PolarHBondContact O-N 3.33Å; E123-E126 PolarHBondContact O-N 3.05Å; F124-E126 PolarHBondContact O-N 2.98Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 3.46Å; E126-K129 PolarHBondContact O-N 2.99Å; E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 2.83Å; E126-K130 VanDerWaalsContact O-N 3.08Å
127T98.5Very high98.2Very high80 Ų80102.8 Ų102.849%0.49151%0.506SS..Hα-helixtrans-60.6-45.9175.3-58.60000110.5E123 F124 K129 K130 V131E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 PolarHBondContact O-N 3.39Å; E123-T127 PolarHBondContact O-OG1 3.31Å; F124-T127 PolarHBondContact O-N 3.42Å; T127-K129 VanDerWaalsContact C-N 3.33Å; T127-K129 PolarHBondContact O-N 2.99Å; T127-K130 PolarHBondContact O-N 3.46Å; T127-V131 HydrophobicContact CG2-CG2 4.44Å; T127-V131 WeakPolarHBondContact O-CG2 3.43Å; T127-V131 PolarHBondContact O-N 3.29Å
128A98.6Very high98.1Very high46 Ų46104.3 Ų104.338%0.3851%0.51SS..Hα-helixtrans-60.6-40.817800000112.3F124 E125 E126 V131 R132F124-A128 WeakPolarHBondContact O-CB 3.32Å; F124-A128 PolarHBondContact O-N 2.86Å; E125-A128 PolarHBondContact O-N 2.95Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 3.46Å; A128-V131 PolarHBondContact O-N 3.36Å; A128-R132 WeakPolarHBondContact O-CB 3.41Å; A128-R132 PolarHBondContact O-N 3.04Å
129K98.6Very high98Very high148 Ų148103.8 Ų103.864%0.64352%0.516SS*.Hα-helixtrans-60.9-45.4174.8-73.3170.9-174.6173.90112E125 E126 T127 R132 C133E125-K129 WeakPolarHBondContact O-CG 3.38Å; E125-K129 PolarHBondContact O-N 3.38Å; E126-K129 PolarHBondContact O-N 2.99Å; T127-K129 VanDerWaalsContact C-N 3.33Å; T127-K129 PolarHBondContact O-N 2.99Å; K129-R132 PolarHBondContact O-N 3.22Å; K129-C133 PolarHBondContact O-N 3.2Å
130K98.6Very high97.9Very high146 Ų146104.5 Ų104.564%0.63553%0.531SS*.Hα-helixtrans-62.4-46.5178.1-70172.9-176.9172.20111.5E126 T127 R132 C133 A134E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 2.83Å; E126-K130 VanDerWaalsContact O-N 3.08Å; T127-K130 PolarHBondContact O-N 3.46Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-R132 PolarHBondContact O-N 3.4Å; K130-C133 PolarHBondContact O-N 3.4Å; K130-A134 PolarHBondContact O-N 3.03Å
131V98.6Very high97.4Very high79 Ų79105.1 Ų105.148%0.47954%0.538SS..Hα-helixtrans-61-44.5177.7171.70000110.9T127 A128 C133 A134 I135T127-V131 HydrophobicContact CG2-CG2 4.44Å; T127-V131 WeakPolarHBondContact O-CG2 3.43Å; T127-V131 PolarHBondContact O-N 3.29Å; A128-V131 PolarHBondContact O-N 3.36Å; V131-C133 PolarHBondContact O-N 3.45Å; V131-A134 PolarHBondContact O-N 3.02Å; V131-I135 HydrophobicContact CG1-CD1 3.92Å; V131-I135 HydrophobicContact CG1-CG1 4.49Å; V131-I135 WeakPolarHBondContact O-CG1 3.49Å; V131-I135 PolarHBondContact O-N 2.95Å
132R98.4Very high95.7Very high166 Ų166109.1 Ų109.163%0.62657%0.565SS**Hα-helixtrans-59.2-46.5176.7-178.3176175.6179.63.6112.1A128 K129 K130 A134 I135 E136A128-R132 WeakPolarHBondContact O-CB 3.41Å; A128-R132 PolarHBondContact O-N 3.04Å; K129-R132 PolarHBondContact O-N 3.22Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-R132 PolarHBondContact O-N 3.4Å; R132-A134 VanDerWaalsContact C-N 3.3Å; R132-A134 PolarHBondContact O-N 3.39Å; R132-I135 PolarHBondContact O-N 2.92Å; R132-E136 IonicContact CZ-OE1 3.54Å; R132-E136 IonicContact NE-OE1 2.86Å; R132-E136 PolarHBondContact NE-OE1 3.28Å; R132-E136 IonicContact NH2-OE1 3.39Å; R132-E136 PolarHBondContact NH2-OE1 3.26Å; R132-E136 WeakPolarHBondContact O-CG 3.37Å; R132-E136 PolarHBondContact O-N 3.47Å
133C98.3Very high95.6Very high58 Ų58109.2 Ų109.239%0.39257%0.57SS.*Hα-helixtrans-59.3-41.7177.3-173.10000111.7K129 K130 V131 E136 Q137K129-C133 PolarHBondContact O-N 3.2Å; K130-C133 PolarHBondContact O-N 3.4Å; V131-C133 PolarHBondContact O-N 3.45Å; C133-E136 PolarHBondContact O-N 2.86Å; C133-Q137 VanDerWaalsContact O-CG 3.32Å; C133-Q137 WeakPolarHBondContact O-CG 3.37Å; C133-Q137 PolarHBondContact O-N 3.27Å
134A98.1Very high95.5Very high43 Ų43108.6 Ų108.636%0.35557%0.57SS.*Hα-helixtrans-64.7-40.1176.900000112.7K130 V131 R132 Q137 L138K130-A134 PolarHBondContact O-N 3.03Å; V131-A134 PolarHBondContact O-N 3.02Å; R132-A134 VanDerWaalsContact C-N 3.3Å; R132-A134 PolarHBondContact O-N 3.39Å; A134-Q137 PolarHBondContact O-N 3.24Å; A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 3.5Å
135I98.2Very high95.3Very high107 Ų107106.1 Ų106.155%0.54957%0.565SS.*Hα-helixtrans-62-45.6175.7-68166.3000110.6V131 R132 Q137 L138 A139V131-I135 HydrophobicContact CG1-CD1 3.92Å; V131-I135 HydrophobicContact CG1-CG1 4.49Å; V131-I135 WeakPolarHBondContact O-CG1 3.49Å; V131-I135 PolarHBondContact O-N 2.95Å; R132-I135 PolarHBondContact O-N 2.92Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 3.04Å; I135-L138 PolarHBondContact O-N 3.18Å; I135-A139 WeakPolarHBondContact O-CB 3.45Å; I135-A139 PolarHBondContact O-N 3.47Å
136E98.1Very high95.1Very high101 Ų101107.5 Ų107.547%0.47258%0.576SS.*Hα-helixtrans-63.7-37.9178.9-70.9168.2177.500111.8R132 C133 A140R132-E136 IonicContact CZ-OE1 3.54Å; R132-E136 IonicContact NE-OE1 2.86Å; R132-E136 PolarHBondContact NE-OE1 3.28Å; R132-E136 IonicContact NH2-OE1 3.39Å; R132-E136 PolarHBondContact NH2-OE1 3.26Å; R132-E136 WeakPolarHBondContact O-CG 3.37Å; R132-E136 PolarHBondContact O-N 3.47Å; C133-E136 PolarHBondContact O-N 2.86Å; E136-A140 PolarHBondContact O-N 3.36Å
137Q97.5Very high94.9Very high122 Ų122107.6 Ų107.657%0.5758%0.58SS**Hα-helixtrans-65.5-44.9175-74.6173.1-8.600112.4C133 A134 I135 A139 A140 M141C133-Q137 VanDerWaalsContact O-CG 3.32Å; C133-Q137 WeakPolarHBondContact O-CG 3.37Å; C133-Q137 PolarHBondContact O-N 3.27Å; A134-Q137 PolarHBondContact O-N 3.24Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 3.04Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; Q137-A139 PolarHBondContact O-N 3.38Å; Q137-A140 PolarHBondContact O-N 3Å; Q137-M141 WeakPolarHBondContact O-CG 3.36Å
138L96.3Very high94.7Very high117 Ų117109.4 Ų109.461%0.61359%0.586SS**Hα-helixtrans-62.3-43.3177.9-72.2170.1000111.4A134 I135 A140 M141A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 3.5Å; I135-L138 PolarHBondContact O-N 3.18Å; L138-A140 PolarHBondContact O-N 3.23Å; L138-M141 PolarHBondContact O-N 3.02Å
139A96.2Very high94.4Very high65 Ų65113.9 Ų113.954%0.53760%0.601SS.*Hα-helixtrans-66.7-21.4179.100000113.9I135 Q137I135-A139 WeakPolarHBondContact O-CB 3.45Å; I135-A139 PolarHBondContact O-N 3.47Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; Q137-A139 PolarHBondContact O-N 3.38Å
140A94.1Very high94Very high82 Ų82111.3 Ų111.368%0.67860%0.598SS**THydrogen-bonded Turntrans-86.6-5.9177.400000113.5E136 Q137 L138E136-A140 PolarHBondContact O-N 3.36Å; Q137-A140 PolarHBondContact O-N 3Å; L138-A140 PolarHBondContact O-N 3.23Å
141M87.2Confident93.7Very high158 Ų158108.4 Ų108.478%0.77860%0.595SS**  trans-93.6-13.3177.9-64.8177.178.600113Q137 L138Q137-M141 WeakPolarHBondContact O-CG 3.36Å; L138-M141 PolarHBondContact O-N 3.02Å
142D63Low93.2Very high203 Ų203111.1 Ų111.1100%1.08661%0.605SS**  trans-94.10173.5-69.7-33.7000111.3

Retrieved 142 of 142 residues in 61.1 ms (Link to these results)

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