A0A060Y963_ONCMY Loading...

Ubiquitin-conjugating enzyme E2 K

AlphaFold DB (B5DGF2), UniProt , Accession A0A060Y963, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 200 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
1M68.9Low88.8Confident71 Ų7167.3 Ų67.335%0.3533%0.331SS..  0137.70-161.2-168.8-73.400109.9A5 V6 F36 T37 I62M1-A5 HydrophobicContact CG-CB 3.59Å; M1-A5 HydrophobicContact SD-CB 3.48Å; M1-A5 WeakPolarHBondContact SD-CB 3.33Å; M1-V6 HydrophobicContact CB-CG2 4Å; M1-V6 HydrophobicContact CG-CG2 4.14Å; M1-V6 HydrophobicContact SD-CG2 3.73Å; M1-F36 HydrophobicContact CE-CB 4.45Å; M1-F36 VanDerWaalsContact CE-O 3.23Å; M1-F36 WeakPolarHBondContact CE-O 3.32Å; M1-T37 HydrophobicContact CE-CG2 3.39Å; M1-I62 HydrophobicContact CE-CB 4.08Å; M1-I62 HydrophobicContact CE-CG2 3.87Å; M1-I62 HydrophobicContact SD-CG2 4.45Å
2A78.6Confident89.6Confident54 Ų5461.7 Ų61.745%0.44630%0.304SS..  trans-67151.5178.300000112.3I4 A5 V6A2-I4 HydrophobicContact CB-CG2 4.2Å; A2-I4 PolarHBondContact O-N 3.01Å; A2-A5 WeakPolarHBondContact O-CB 3.28Å; A2-A5 PolarHBondContact O-N 3.31Å; A2-A5 VanDerWaalsContact O-N 3.08Å; A2-V6 PolarHBondContact O-N 3.24Å
3N84.1Confident90.1Very high118 Ų11859.2 Ų59.263%0.63129%0.291SS*.Hα-helixtrans-55.4-38.5-177.1-173.623.5000112.8A5 V6 Q7N3-A5 VanDerWaalsContact C-N 3.34Å; N3-A5 PolarHBondContact O-N 3.43Å; N3-V6 PolarHBondContact O-N 2.87Å; N3-Q7 WeakPolarHBondContact O-CG 3.48Å; N3-Q7 PolarHBondContact O-N 3.11Å
4I89.5Confident90.5Very high98 Ų9864.4 Ų64.450%0.50331%0.311SS..Hα-helixtrans-59.4-42.3178.5-168.6171.2000112.7A2 R8A2-I4 HydrophobicContact CB-CG2 4.2Å; A2-I4 PolarHBondContact O-N 3.01Å; I4-R8 VanDerWaalsContact O-CB 3.29Å; I4-R8 WeakPolarHBondContact O-CB 3.46Å; I4-R8 PolarHBondContact O-N 3.45Å; I4-R8 VanDerWaalsContact O-N 3.08Å
5A90.4Very high90.9Very high0 Ų064.7 Ų64.70%031%0.312CS..Hα-helixtrans-68.7-45.7-179.500000110.5M1 A2 N3 Q7 R8 I9 Y66M1-A5 HydrophobicContact CG-CB 3.59Å; M1-A5 HydrophobicContact SD-CB 3.48Å; M1-A5 WeakPolarHBondContact SD-CB 3.33Å; A2-A5 WeakPolarHBondContact O-CB 3.28Å; A2-A5 PolarHBondContact O-N 3.31Å; A2-A5 VanDerWaalsContact O-N 3.08Å; N3-A5 VanDerWaalsContact C-N 3.34Å; N3-A5 PolarHBondContact O-N 3.43Å; A5-Q7 PolarHBondContact O-N 3.48Å; A5-R8 PolarHBondContact O-N 3.49Å; A5-I9 WeakPolarHBondContact O-CG1 3.38Å; A5-I9 PolarHBondContact O-N 3.3Å; A5-Y66 VanDerWaalsContact CB-O 3.24Å; A5-Y66 WeakPolarHBondContact CB-O 3.43Å
6V91.4Very high91.3Very high28 Ų2860.7 Ų60.717%0.1729%0.292CS..Hα-helixtrans-60.7-46.7178.71770000111.5M1 A2 N3 R8 I9 K10 F36M1-V6 HydrophobicContact CB-CG2 4Å; M1-V6 HydrophobicContact CG-CG2 4.14Å; M1-V6 HydrophobicContact SD-CG2 3.73Å; A2-V6 PolarHBondContact O-N 3.24Å; N3-V6 PolarHBondContact O-N 2.87Å; V6-R8 VanDerWaalsContact C-N 3.28Å; V6-R8 PolarHBondContact O-N 2.94Å; V6-I9 PolarHBondContact O-N 3.09Å; V6-K10 HydrophobicContact CG1-CD 4.14Å; V6-K10 WeakPolarHBondContact O-CB 3.39Å; V6-K10 WeakPolarHBondContact O-CG 3.3Å; V6-K10 PolarHBondContact O-N 3.42Å; V6-F36 HydrophobicContact CG1-CD2 4.27Å
7Q93.3Very high91.5Very high111 Ų11162.1 Ų62.152%0.51930%0.301SS..Hα-helixtrans-61.7-39.9177.8-68.9-60.4-27.200111.6N3 A5 R11N3-Q7 WeakPolarHBondContact O-CG 3.48Å; N3-Q7 PolarHBondContact O-N 3.11Å; A5-Q7 PolarHBondContact O-N 3.48Å; Q7-R11 PolarHBondContact O-N 2.87Å; Q7-R11 VanDerWaalsContact O-N 3.08Å
8R95.5Very high91.8Very high29 Ų2968.4 Ų68.411%0.10933%0.327CS..Hα-helixtrans-67-49.3179.1-174.7171.8172.1145.9-5.3112.4I4 A5 V6 K10 R11 E12 Y66 P67 A102 M104I4-R8 VanDerWaalsContact O-CB 3.29Å; I4-R8 WeakPolarHBondContact O-CB 3.46Å; I4-R8 PolarHBondContact O-N 3.45Å; I4-R8 VanDerWaalsContact O-N 3.08Å; A5-R8 PolarHBondContact O-N 3.49Å; V6-R8 VanDerWaalsContact C-N 3.28Å; V6-R8 PolarHBondContact O-N 2.94Å; R8-K10 VanDerWaalsContact C-N 3.31Å; R8-K10 PolarHBondContact O-N 3.13Å; R8-R11 WeakPolarHBondContact O-CB 3.48Å; R8-R11 PolarHBondContact O-N 3.48Å; R8-R11 VanDerWaalsContact O-N 3.1Å; R8-E12 HydrophobicContact CG-CG 4.4Å; R8-E12 WeakPolarHBondContact CG-OE1 3.41Å; R8-E12 IonicContact CZ-OE1 3.49Å; R8-E12 IonicContact NE-OE1 2.7Å; R8-E12 PolarHBondContact NE-OE1 3.19Å; R8-E12 IonicContact NH2-OE1 3.53Å; R8-E12 WeakPolarHBondContact O-CG 3.29Å; R8-E12 PolarHBondContact O-N 2.85Å; R8-Y66 HydrophobicContact CB-CE1 4.33Å; R8-Y66 HydrophobicContact CG-CE1 3.8Å; R8-Y66 PolarHBondContact NE-OH 3.39Å; R8-P67 VanDerWaalsContact CD-CB 3.4Å; R8-A102 PolarHBondContact NH1-O 3.26Å; R8-A102 PolarHBondContact NH2-O 3.3Å; R8-M104 PolarHBondContact NH2-O 3.27Å
9I95Very high92Very high0 Ų065.3 Ų65.30%031%0.313CS..Hα-helixtrans-61.1-42178-62.9-62.8000110.7A5 V6 R11 E12 F13 F36 L39 I62 Y66 L106A5-I9 WeakPolarHBondContact O-CG1 3.38Å; A5-I9 PolarHBondContact O-N 3.3Å; V6-I9 PolarHBondContact O-N 3.09Å; I9-R11 VanDerWaalsContact C-N 3.28Å; I9-R11 PolarHBondContact O-N 3.17Å; I9-E12 PolarHBondContact O-N 3.15Å; I9-F13 WeakPolarHBondContact O-CB 3.48Å; I9-F13 PolarHBondContact O-N 3.2Å; I9-F36 HydrophobicContact CB-CB 4.31Å; I9-F36 HydrophobicContact CG2-CB 3.88Å; I9-F36 HydrophobicContact CG2-CD1 3.87Å; I9-F36 HydrophobicContact CG2-CG 4.28Å; I9-L39 HydrophobicContact CG2-CD1 4.2Å; I9-I62 HydrophobicContact CD1-CD1 3.72Å; I9-I62 HydrophobicContact CD1-CG1 3.88Å; I9-I62 HydrophobicContact CD1-CG2 3.91Å; I9-I62 HydrophobicContact CG1-CG1 4.33Å; I9-I62 HydrophobicContact CG1-CG2 4.03Å; I9-Y66 HydrophobicContact CD1-CD1 3.6Å; I9-Y66 HydrophobicContact CD1-CE1 3.34Å; I9-Y66 HydrophobicContact CD1-CG 4.32Å; I9-Y66 HydrophobicContact CG1-CD1 4Å; I9-Y66 HydrophobicContact CG1-CE1 4.08Å; I9-L106 HydrophobicContact CG2-CD1 4.46Å
10K94.2Very high92.3Very high81 Ų8168.3 Ų68.335%0.35233%0.326SS..Hα-helixtrans-58.4-39.5174.8-77.3178.2178.2179.90112.8V6 R8 K14 F36V6-K10 HydrophobicContact CG1-CD 4.14Å; V6-K10 WeakPolarHBondContact O-CB 3.39Å; V6-K10 WeakPolarHBondContact O-CG 3.3Å; V6-K10 PolarHBondContact O-N 3.42Å; R8-K10 VanDerWaalsContact C-N 3.31Å; R8-K10 PolarHBondContact O-N 3.13Å; K10-K14 VanDerWaalsContact O-CG 3.3Å; K10-K14 WeakPolarHBondContact O-CG 3.47Å; K10-K14 PolarHBondContact O-N 3.43Å; K10-F36 HydrophobicContact CD-CE2 4.39Å; K10-F36 HydrophobicContact CD-CZ 4.24Å; K10-F36 VanDerWaalsContact CE-CZ 3.42Å; K10-F36 HydrophobicContact CG-CD1 4.3Å; K10-F36 HydrophobicContact CG-CE1 3.8Å; K10-F36 HydrophobicContact CG-CE2 4.19Å; K10-F36 HydrophobicContact CG-CZ 3.75Å
11R96.3Very high92.5Very high150 Ų15067 Ų6757%0.56632%0.32SS*.Hα-helixtrans-66.6-50.3176.5-178.1-173.466.3-163.41111Q7 R8 I9 K14 E15Q7-R11 PolarHBondContact O-N 2.87Å; Q7-R11 VanDerWaalsContact O-N 3.08Å; R8-R11 WeakPolarHBondContact O-CB 3.48Å; R8-R11 PolarHBondContact O-N 3.48Å; R8-R11 VanDerWaalsContact O-N 3.1Å; I9-R11 VanDerWaalsContact C-N 3.28Å; I9-R11 PolarHBondContact O-N 3.17Å; R11-K14 PolarHBondContact O-N 2.88Å; R11-E15 PolarHBondContact O-N 2.89Å
12E97.8Very high93.8Very high0 Ų064.9 Ų64.90%031%0.311CS..Hα-helixtrans-68.3-35.9-177.6-66.9-179.2-160.800112.8R8 I9 K14 E15 V16 Y66 T105 L106R8-E12 HydrophobicContact CG-CG 4.4Å; R8-E12 WeakPolarHBondContact CG-OE1 3.41Å; R8-E12 IonicContact CZ-OE1 3.49Å; R8-E12 IonicContact NE-OE1 2.7Å; R8-E12 PolarHBondContact NE-OE1 3.19Å; R8-E12 IonicContact NH2-OE1 3.53Å; R8-E12 WeakPolarHBondContact O-CG 3.29Å; R8-E12 PolarHBondContact O-N 2.85Å; I9-E12 PolarHBondContact O-N 3.15Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.22Å; E12-E15 WeakPolarHBondContact O-CB 3.31Å; E12-E15 PolarHBondContact O-N 3.25Å; E12-V16 WeakPolarHBondContact O-CG2 3.41Å; E12-V16 PolarHBondContact O-N 2.97Å; E12-Y66 VanDerWaalsContact CD-OH 3.24Å; E12-Y66 PolarHBondContact OE1-OH 3.38Å; E12-Y66 PolarHBondContact OE2-OH 2.97Å; E12-T105 HydrophobicContact CG-CG2 3.95Å; E12-T105 WeakPolarHBondContact OE2-CA 3.47Å; E12-L106 HydrophobicContact CB-CB 4.3Å; E12-L106 HydrophobicContact CB-CD1 4.11Å; E12-L106 HydrophobicContact CB-CG 4.18Å; E12-L106 PolarHBondContact OE2-N 3.31Å
13F95.6Very high94.6Very high30 Ų3066.7 Ų66.713%0.13232%0.321CS..Hα-helixtrans-59.9-46.3172.7-176.2-94000111I9 E15 V16 L17 V29 L31I9-F13 WeakPolarHBondContact O-CB 3.48Å; I9-F13 PolarHBondContact O-N 3.2Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.37Å; F13-V16 PolarHBondContact O-N 2.74Å; F13-L17 HydrophobicContact CD1-CD1 3.82Å; F13-L17 HydrophobicContact CD1-CG 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.36Å; F13-L17 HydrophobicContact CE1-CG 4.03Å; F13-L17 HydrophobicContact CZ-CD1 4.07Å; F13-L17 HydrophobicContact CZ-CG 4.4Å; F13-L17 WeakPolarHBondContact O-CG 3.38Å; F13-L17 PolarHBondContact O-N 3.39Å; F13-V29 HydrophobicContact CD2-CB 4.47Å; F13-V29 HydrophobicContact CD2-CG1 3.55Å; F13-V29 HydrophobicContact CD2-CG2 4.18Å; F13-V29 HydrophobicContact CE2-CB 4.45Å; F13-V29 HydrophobicContact CE2-CG1 3.72Å; F13-V29 HydrophobicContact CE2-CG2 4.27Å; F13-V29 HydrophobicContact CG-CG1 4.38Å; F13-L31 HydrophobicContact CD2-CD2 4.42Å; F13-L31 HydrophobicContact CD2-CG 4.27Å; F13-L31 HydrophobicContact CE1-CD1 4.15Å; F13-L31 HydrophobicContact CE1-CG 4.4Å; F13-L31 HydrophobicContact CE2-CD1 4.36Å; F13-L31 HydrophobicContact CE2-CD2 4.33Å; F13-L31 HydrophobicContact CE2-CG 3.73Å; F13-L31 HydrophobicContact CZ-CD1 3.98Å; F13-L31 HydrophobicContact CZ-CG 3.81Å
14K95.8Very high95.2Very high132 Ų13267 Ų6757%0.57432%0.316SS*.Hα-helixtrans-65.1-34.7174.5-72.4175.5-176.4-179.10112.6K10 R11 E12 K18K10-K14 VanDerWaalsContact O-CG 3.3Å; K10-K14 WeakPolarHBondContact O-CG 3.47Å; K10-K14 PolarHBondContact O-N 3.43Å; R11-K14 PolarHBondContact O-N 2.88Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.22Å; K14-K18 WeakPolarHBondContact O-CB 3.34Å; K14-K18 WeakPolarHBondContact O-CG 3.27Å; K14-K18 PolarHBondContact O-N 2.98Å; K14-K18 VanDerWaalsContact O-N 3.13Å
15E97.4Very high95.5Very high69 Ų6967.2 Ų67.232%0.32232%0.319SS..Hα-helixtrans-61.6-48.8174.7-176.7-167.5159.300110.7R11 E12 F13 K18 S19R11-E15 PolarHBondContact O-N 2.89Å; E12-E15 WeakPolarHBondContact O-CB 3.31Å; E12-E15 PolarHBondContact O-N 3.25Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.37Å; E15-K18 PolarHBondContact O-N 3.23Å; E15-S19 WeakPolarHBondContact O-CB 3.49Å; E15-S19 PolarHBondContact O-N 2.99Å
16V97.1Very high95.9Very high0 Ų070 Ų700%033%0.332CS..Hα-helixtrans-60.2-50.3176.1178.30000110.1E12 F13 K18 S19 T22 I27 V29 L106 R107 L110E12-V16 WeakPolarHBondContact O-CG2 3.41Å; E12-V16 PolarHBondContact O-N 2.97Å; F13-V16 PolarHBondContact O-N 2.74Å; V16-K18 PolarHBondContact O-N 2.92Å; V16-K18 VanDerWaalsContact O-N 3.1Å; V16-S19 VanDerWaalsContact O-CB 3.27Å; V16-S19 WeakPolarHBondContact O-CB 3.35Å; V16-S19 PolarHBondContact O-N 3.33Å; V16-S19 PolarHBondContact O-OG 3.31Å; V16-T22 WeakPolarHBondContact O-CB 3.5Å; V16-T22 PolarHBondContact O-OG1 2.91Å; V16-I27 HydrophobicContact CG1-CD1 4.29Å; V16-I27 HydrophobicContact CG1-CG1 4.37Å; V16-V29 HydrophobicContact CB-CG1 3.69Å; V16-V29 HydrophobicContact CG1-CB 4.26Å; V16-V29 HydrophobicContact CG1-CG1 3.62Å; V16-V29 HydrophobicContact CG2-CG1 4.16Å; V16-L106 HydrophobicContact CG2-CB 4.14Å; V16-R107 HydrophobicContact CG2-CB 3.85Å; V16-L110 HydrophobicContact CG1-CD1 4.36Å
17L94.9Very high96.2Very high84 Ų8468.8 Ų68.844%0.4432%0.324SS..Hα-helixtrans-57.2-31-179.4-72.7-177.8000114.4F13F13-L17 HydrophobicContact CD1-CD1 3.82Å; F13-L17 HydrophobicContact CD1-CG 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.36Å; F13-L17 HydrophobicContact CE1-CG 4.03Å; F13-L17 HydrophobicContact CZ-CD1 4.07Å; F13-L17 HydrophobicContact CZ-CG 4.4Å; F13-L17 WeakPolarHBondContact O-CG 3.38Å; F13-L17 PolarHBondContact O-N 3.39Å
18K96.1Very high96.4Very high177 Ų17767.1 Ų67.177%0.7732%0.315SS*.THydrogen-bonded Turntrans-96.90.2179.6-65.9-178.4179.1-171.50113.6K14 E15 V16K14-K18 WeakPolarHBondContact O-CB 3.34Å; K14-K18 WeakPolarHBondContact O-CG 3.27Å; K14-K18 PolarHBondContact O-N 2.98Å; K14-K18 VanDerWaalsContact O-N 3.13Å; E15-K18 PolarHBondContact O-N 3.23Å; V16-K18 PolarHBondContact O-N 2.92Å; V16-K18 VanDerWaalsContact O-N 3.1Å
19S96.8Very high96.5Very high9 Ų965.8 Ų65.86%0.06331%0.31CS..SBendtrans-69.6149.2-176.867.90000112E15 V16 E21 T22 S23E15-S19 WeakPolarHBondContact O-CB 3.49Å; E15-S19 PolarHBondContact O-N 2.99Å; V16-S19 VanDerWaalsContact O-CB 3.27Å; V16-S19 WeakPolarHBondContact O-CB 3.35Å; V16-S19 PolarHBondContact O-N 3.33Å; V16-S19 PolarHBondContact O-OG 3.31Å; S19-E21 WeakPolarHBondContact CB-OE2 3.32Å; S19-E21 PolarHBondContact O-N 3.46Å; S19-T22 PolarHBondContact O-N 3.34Å; S19-T22 WeakPolarHBondContact OG-CB 3.46Å; S19-T22 PolarHBondContact OG-N 3.45Å; S19-T22 VanDerWaalsContact OG-N 3.14Å; S19-T22 PolarHBondContact OG-OG1 2.87Å; S19-S23 PolarHBondContact O-N 3.35Å; S19-S23 PolarHBondContact O-OG 2.97Å
20E97.2Very high96.5Very high125 Ų12568.5 Ų68.558%0.58433%0.325SS*.Hα-helixtrans-61.1-34.6171.2-70.2-167.4-168.400111.4T22 S23 K24E20-T22 VanDerWaalsContact C-N 3.32Å; E20-T22 PolarHBondContact O-N 2.92Å; E20-S23 CarbonylContact O-C 3.57Å; E20-S23 WeakPolarHBondContact O-CB 3.4Å; E20-S23 PolarHBondContact O-N 3.01Å; E20-S23 VanDerWaalsContact O-N 3.15Å; E20-K24 WeakPolarHBondContact O-CB 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.1Å; E20-K24 PolarHBondContact O-N 2.64Å; E20-K24 IonicContact OE2-NZ 2.92Å; E20-K24 PolarHBondContact OE2-NZ 3.22Å
21E97.3Very high96.5Very high40 Ų4068.1 Ų68.119%0.18733%0.326CS..Hα-helixtrans-65.3-37.5-179.2-63.285.8-168.200111.5S19 K24 N25 Q26 I27 R107 L111S19-E21 WeakPolarHBondContact CB-OE2 3.32Å; S19-E21 PolarHBondContact O-N 3.46Å; E21-K24 CarbonylContact O-C 3.2Å; E21-K24 PolarHBondContact O-N 2.66Å; E21-N25 PolarHBondContact O-N 3.14Å; E21-Q26 HydrophobicContact CB-CB 4.13Å; E21-Q26 WeakPolarHBondContact O-CB 3.28Å; E21-Q26 PolarHBondContact O-N 3.4Å; E21-I27 HydrophobicContact CB-CD1 3.98Å; E21-I27 HydrophobicContact CB-CG1 3.81Å; E21-R107 IonicContact OE1-CZ 2.86Å; E21-R107 IonicContact OE1-NE 2.73Å; E21-R107 IonicContact OE1-NH2 3.92Å; E21-R107 PolarHBondContact OE1-NH2 2.81Å; E21-R107 IonicContact OE2-CZ 2.7Å; E21-R107 IonicContact OE2-NE 2.69Å; E21-R107 PolarHBondContact OE2-NE 3.48Å; E21-R107 IonicContact OE2-NH2 3.97Å; E21-R107 PolarHBondContact OE2-NH2 2.88Å; E21-L111 HydrophobicContact CB-CD2 4.37Å; E21-L111 HydrophobicContact CG-CD2 3.92Å
22T95.8Very high96.3Very high27 Ų2764.9 Ų64.917%0.16632%0.323CS..Hα-helixtrans-67.8-39.4172.4-62.10000111.6V16 S19 E20 K24 N25 I27V16-T22 WeakPolarHBondContact O-CB 3.5Å; V16-T22 PolarHBondContact O-OG1 2.91Å; S19-T22 PolarHBondContact O-N 3.34Å; S19-T22 WeakPolarHBondContact OG-CB 3.46Å; S19-T22 PolarHBondContact OG-N 3.45Å; S19-T22 VanDerWaalsContact OG-N 3.14Å; S19-T22 PolarHBondContact OG-OG1 2.87Å; E20-T22 VanDerWaalsContact C-N 3.32Å; E20-T22 PolarHBondContact O-N 2.92Å; T22-K24 PolarHBondContact O-N 2.81Å; T22-N25 WeakPolarHBondContact O-CA 3.33Å; T22-N25 PolarHBondContact O-N 2.99Å; T22-I27 WeakPolarHBondContact CA-O 3.4Å; T22-I27 PolarHBondContact OG1-O 3.35Å; T22-I27 VanDerWaalsContact OG1-O 3.09Å
23S95.6Very high95.8Very high93 Ų9366.7 Ų66.765%0.6533%0.333SS*.Hα-helixtrans-63.7-31.4175.5-56.20000112.4S19 E20 N25S19-S23 PolarHBondContact O-N 3.35Å; S19-S23 PolarHBondContact O-OG 2.97Å; E20-S23 CarbonylContact O-C 3.57Å; E20-S23 WeakPolarHBondContact O-CB 3.4Å; E20-S23 PolarHBondContact O-N 3.01Å; E20-S23 VanDerWaalsContact O-N 3.15Å; S23-N25 VanDerWaalsContact C-N 3.28Å
24K96.3Very high95.3Very high123 Ų12373.9 Ų73.954%0.53537%0.366SS..THydrogen-bonded Turntrans-88.111.5173.2-66.2166.6-177.9158.80113.1E20 E21 T22 Q26E20-K24 WeakPolarHBondContact O-CB 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.1Å; E20-K24 PolarHBondContact O-N 2.64Å; E20-K24 IonicContact OE2-NZ 2.92Å; E20-K24 PolarHBondContact OE2-NZ 3.22Å; E21-K24 CarbonylContact O-C 3.2Å; E21-K24 PolarHBondContact O-N 2.66Å; T22-K24 PolarHBondContact O-N 2.81Å; K24-Q26 HydrophobicContact CB-CG 4.05Å; K24-Q26 PolarHBondContact O-N 3.4Å; K24-Q26 VanDerWaalsContact O-N 3.13Å; K24-Q26 PolarHBondContact O-NE2 3.11Å; K24-Q26 VanDerWaalsContact O-NE2 3.13Å
25N96.1Very high94.9Very high103 Ų10373.1 Ų73.155%0.55137%0.369SS*.THydrogen-bonded Turntrans56.922.4-179.7-55.1102.5000115.5E21 T22 S23 R55E21-N25 PolarHBondContact O-N 3.14Å; T22-N25 WeakPolarHBondContact O-CA 3.33Å; T22-N25 PolarHBondContact O-N 2.99Å; S23-N25 VanDerWaalsContact C-N 3.28Å; N25-R55 PolarHBondContact O-NH2 3.47Å
26Q98Very high94.5Very high60 Ų6071.2 Ų71.228%0.2836%0.359SS..SBendtrans-79.7-40-177.6-63-56.9-52.600112.9E21 K24 I43 A44E21-Q26 HydrophobicContact CB-CB 4.13Å; E21-Q26 WeakPolarHBondContact O-CB 3.28Å; E21-Q26 PolarHBondContact O-N 3.4Å; K24-Q26 HydrophobicContact CB-CG 4.05Å; K24-Q26 PolarHBondContact O-N 3.4Å; K24-Q26 VanDerWaalsContact O-N 3.13Å; K24-Q26 PolarHBondContact O-NE2 3.11Å; K24-Q26 VanDerWaalsContact O-NE2 3.13Å; Q26-I43 CarbonylContact O-C 3.57Å; Q26-I43 WeakPolarHBondContact O-CA 3.37Å; Q26-A44 PolarHBondContact O-N 2.93Å
27I98.1Very high94.3Very high1 Ų173.8 Ų73.81%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-136.2156.6179.368.1176.7000109.9V16 E21 T22 E42 I43 R107 L110 L111V16-I27 HydrophobicContact CG1-CD1 4.29Å; V16-I27 HydrophobicContact CG1-CG1 4.37Å; E21-I27 HydrophobicContact CB-CD1 3.98Å; E21-I27 HydrophobicContact CB-CG1 3.81Å; T22-I27 WeakPolarHBondContact CA-O 3.4Å; T22-I27 PolarHBondContact OG1-O 3.35Å; T22-I27 VanDerWaalsContact OG1-O 3.09Å; I27-E42 CarbonylContact C-O 3.51Å; I27-E42 VanDerWaalsContact CA-O 3.32Å; I27-E42 WeakPolarHBondContact CA-O 3.41Å; I27-I43 HydrophobicContact CG2-CG2 4.03Å; I27-R107 HydrophobicContact CD1-CG 4.05Å; I27-L110 HydrophobicContact CB-CB 4.18Å; I27-L110 HydrophobicContact CB-CD1 4.2Å; I27-L110 HydrophobicContact CD1-CB 4.3Å; I27-L110 HydrophobicContact CD1-CD1 4.34Å; I27-L110 HydrophobicContact CG2-CB 3.97Å; I27-L111 HydrophobicContact CD1-CD2 4.25Å; I27-L111 HydrophobicContact CD1-CG 4.34Å; I27-L111 HydrophobicContact CG2-CD2 3.95Å
28K96.9Very high94.3Very high77 Ų7772.8 Ų72.834%0.33537%0.368SS..EExtended strand (participates in β ladder)trans-152.3153.8173.4-171.2-175.1-179.9-140.40109.6D30 G41 E42K28-D30 WeakPolarHBondContact CE-OD1 3.32Å; K28-D30 WeakPolarHBondContact CE-OD2 3.31Å; K28-D30 IonicContact NZ-OD1 2.7Å; K28-D30 PolarHBondContact NZ-OD1 2.92Å; K28-D30 IonicContact NZ-OD2 2.89Å; K28-D30 PolarHBondContact NZ-OD2 3.06Å; K28-G41 CarbonylContact O-C 3.56Å; K28-G41 WeakPolarHBondContact O-CA 3.49Å; K28-E42 HydrophobicContact CB-CB 4.23Å; K28-E42 PolarHBondContact N-O 2.86Å; K28-E42 PolarHBondContact O-N 3Å
29V97.5Very high94.4Very high0 Ų064.4 Ų64.40%033%0.332CS..EExtended strand (participates in β ladder)trans-136.4137.4166.966.50000109.7F13 V16 L39 K40F13-V29 HydrophobicContact CD2-CB 4.47Å; F13-V29 HydrophobicContact CD2-CG1 3.55Å; F13-V29 HydrophobicContact CD2-CG2 4.18Å; F13-V29 HydrophobicContact CE2-CB 4.45Å; F13-V29 HydrophobicContact CE2-CG1 3.72Å; F13-V29 HydrophobicContact CE2-CG2 4.27Å; F13-V29 HydrophobicContact CG-CG1 4.38Å; V16-V29 HydrophobicContact CB-CG1 3.69Å; V16-V29 HydrophobicContact CG1-CB 4.26Å; V16-V29 HydrophobicContact CG1-CG1 3.62Å; V16-V29 HydrophobicContact CG2-CG1 4.16Å; V29-L39 HydrophobicContact CG2-CB 4.03Å; V29-L39 HydrophobicContact CG2-CD1 4.25Å; V29-K40 CarbonylContact C-O 3.58Å; V29-K40 WeakPolarHBondContact CA-O 3.29Å
30D95.9Very high94.4Very high58 Ų5867.3 Ų67.331%0.3134%0.343SS..EExtended strand (participates in β ladder)trans-122.3148175.4-64-53.2000109.7K28 L39 K40K28-D30 WeakPolarHBondContact CE-OD1 3.32Å; K28-D30 WeakPolarHBondContact CE-OD2 3.31Å; K28-D30 IonicContact NZ-OD1 2.7Å; K28-D30 PolarHBondContact NZ-OD1 2.92Å; K28-D30 IonicContact NZ-OD2 2.89Å; K28-D30 PolarHBondContact NZ-OD2 3.06Å; D30-L39 WeakPolarHBondContact O-CA 3.23Å; D30-K40 HydrophobicContact CB-CB 4.46Å; D30-K40 PolarHBondContact N-O 3.3Å; D30-K40 PolarHBondContact O-N 2.86Å
31L93.3Very high94.5Very high73 Ų7361.4 Ų61.438%0.38232%0.316SS..EExtended strand (participates in β ladder)trans-78.7132.4172.4-72.3162.4000109.5F13 F36 L39F13-L31 HydrophobicContact CD2-CD2 4.42Å; F13-L31 HydrophobicContact CD2-CG 4.27Å; F13-L31 HydrophobicContact CE1-CD1 4.15Å; F13-L31 HydrophobicContact CE1-CG 4.4Å; F13-L31 HydrophobicContact CE2-CD1 4.36Å; F13-L31 HydrophobicContact CE2-CD2 4.33Å; F13-L31 HydrophobicContact CE2-CG 3.73Å; F13-L31 HydrophobicContact CZ-CD1 3.98Å; F13-L31 HydrophobicContact CZ-CG 3.81Å; L31-F36 HydrophobicContact CD1-CE1 3.9Å; L31-F36 HydrophobicContact CD1-CZ 4.41Å; L31-F36 HydrophobicContact CD2-CD1 3.35Å; L31-F36 HydrophobicContact CD2-CE1 3.46Å; L31-F36 VanDerWaalsContact CD2-CE1 3.46Å; L31-F36 HydrophobicContact CD2-CG 4.26Å; L31-F36 HydrophobicContact CD2-CZ 4.42Å; L31-F36 HydrophobicContact CG-CE1 4.34Å; L31-L39 HydrophobicContact CD2-CD2 3.41Å; L31-L39 VanDerWaalsContact CD2-CD2 3.41Å; L31-L39 HydrophobicContact CG-CD2 4.31Å
32V93.1Very high94.6Very high82 Ų8260.9 Ų60.950%0.49731%0.314SS..SBendtrans-96.4-37.3172.2178.90000110.3E38 K40V32-E38 HydrophobicContact CB-CB 4.15Å; V32-E38 HydrophobicContact CB-CG 3.98Å; V32-E38 WeakPolarHBondContact CB-O 3.36Å; V32-E38 HydrophobicContact CG1-CB 4.43Å; V32-E38 HydrophobicContact CG1-CG 4.09Å; V32-E38 HydrophobicContact CG2-CG 4.22Å; V32-E38 PolarHBondContact N-O 2.93Å; V32-K40 HydrophobicContact CG2-CB 3.79Å
33D87.3Confident94.7Very high38 Ų3859.6 Ų59.620%0.20331%0.306CS..SBendtrans-122.9166.8177.266.934.8000112.5N35 F36 T37 E38D33-N35 VanDerWaalsContact C-N 3.29Å; D33-N35 PolarHBondContact OD1-N 3.3Å; D33-N35 VanDerWaalsContact OD1-N 3.08Å; D33-F36 WeakPolarHBondContact OD1-CA 3.47Å; D33-F36 PolarHBondContact OD1-N 3.12Å; D33-T37 PolarHBondContact OD1-N 3.34Å; D33-T37 WeakPolarHBondContact OD2-CB 3.48Å; D33-T37 PolarHBondContact OD2-N 2.74Å; D33-T37 PolarHBondContact OD2-OG1 3.07Å; D33-E38 PolarHBondContact OD2-N 3.35Å
34E84.8Confident94.8Very high180 Ų18055.9 Ų55.984%0.84128%0.281SS*.THydrogen-bonded Turntrans-79.2-15.1175.2-60.3-172.9168.800112.8F36E34-F36 WeakPolarHBondContact O-CD2 3.26Å; E34-F36 WeakPolarHBondContact O-CE2 3.34Å
35N86.6Confident94.9Very high116 Ų11650.3 Ų50.362%0.6226%0.259SS*.THydrogen-bonded Turntrans-92.5-0.2-173-69.5-28.9000113.7D33 T37D33-N35 VanDerWaalsContact C-N 3.29Å; D33-N35 PolarHBondContact OD1-N 3.3Å; D33-N35 VanDerWaalsContact OD1-N 3.08Å; N35-T37 PolarHBondContact O-N 3.5Å
36F89.3Confident95Very high29 Ų2946 Ų4613%0.12724%0.236CC..SBendtrans60.419.7-177-57.4-90.7000113.8M1 V6 I9 K10 L31 D33 E34 I62M1-F36 HydrophobicContact CE-CB 4.45Å; M1-F36 VanDerWaalsContact CE-O 3.23Å; M1-F36 WeakPolarHBondContact CE-O 3.32Å; V6-F36 HydrophobicContact CG1-CD2 4.27Å; I9-F36 HydrophobicContact CB-CB 4.31Å; I9-F36 HydrophobicContact CG2-CB 3.88Å; I9-F36 HydrophobicContact CG2-CD1 3.87Å; I9-F36 HydrophobicContact CG2-CG 4.28Å; K10-F36 HydrophobicContact CD-CE2 4.39Å; K10-F36 HydrophobicContact CD-CZ 4.24Å; K10-F36 VanDerWaalsContact CE-CZ 3.42Å; K10-F36 HydrophobicContact CG-CD1 4.3Å; K10-F36 HydrophobicContact CG-CE1 3.8Å; K10-F36 HydrophobicContact CG-CE2 4.19Å; K10-F36 HydrophobicContact CG-CZ 3.75Å; L31-F36 HydrophobicContact CD1-CE1 3.9Å; L31-F36 HydrophobicContact CD1-CZ 4.41Å; L31-F36 HydrophobicContact CD2-CD1 3.35Å; L31-F36 HydrophobicContact CD2-CE1 3.46Å; L31-F36 VanDerWaalsContact CD2-CE1 3.46Å; L31-F36 HydrophobicContact CD2-CG 4.26Å; L31-F36 HydrophobicContact CD2-CZ 4.42Å; L31-F36 HydrophobicContact CG-CE1 4.34Å; D33-F36 WeakPolarHBondContact OD1-CA 3.47Å; D33-F36 PolarHBondContact OD1-N 3.12Å; E34-F36 WeakPolarHBondContact O-CD2 3.26Å; E34-F36 WeakPolarHBondContact O-CE2 3.34Å; F36-I62 WeakPolarHBondContact O-CG1 3.32Å
37T93Very high95Very high55 Ų5547 Ų4734%0.33725%0.247SC..SBendtrans-86.1-27.8-179.137.50000112.5M1 D33 N35 K61 I62M1-T37 HydrophobicContact CE-CG2 3.39Å; D33-T37 PolarHBondContact OD1-N 3.34Å; D33-T37 WeakPolarHBondContact OD2-CB 3.48Å; D33-T37 PolarHBondContact OD2-N 2.74Å; D33-T37 PolarHBondContact OD2-OG1 3.07Å; N35-T37 PolarHBondContact O-N 3.5Å; T37-K61 WeakPolarHBondContact O-CA 3.48Å; T37-I62 PolarHBondContact O-N 3.41Å
38E95.9Very high94.9Very high62 Ų6254.3 Ų54.329%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-129.2131.3176.4-168.9163.8-150.300111.2V32 D33 K61V32-E38 HydrophobicContact CB-CB 4.15Å; V32-E38 HydrophobicContact CB-CG 3.98Å; V32-E38 WeakPolarHBondContact CB-O 3.36Å; V32-E38 HydrophobicContact CG1-CB 4.43Å; V32-E38 HydrophobicContact CG1-CG 4.09Å; V32-E38 HydrophobicContact CG2-CG 4.22Å; V32-E38 PolarHBondContact N-O 2.93Å; D33-E38 PolarHBondContact OD2-N 3.35Å; E38-K61 HydrophobicContact CG-CG 4.42Å; E38-K61 WeakPolarHBondContact OE1-CE 3.39Å; E38-K61 IonicContact OE1-NZ 2.89Å
39L97.1Very high94.9Very high1 Ų151.4 Ų51.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-129.2152.5179.3-54.7171000109I9 V29 D30 L31 I60 I62 L106I9-L39 HydrophobicContact CG2-CD1 4.2Å; V29-L39 HydrophobicContact CG2-CB 4.03Å; V29-L39 HydrophobicContact CG2-CD1 4.25Å; D30-L39 WeakPolarHBondContact O-CA 3.23Å; L31-L39 HydrophobicContact CD2-CD2 3.41Å; L31-L39 VanDerWaalsContact CD2-CD2 3.41Å; L31-L39 HydrophobicContact CG-CD2 4.31Å; L39-I60 HydrophobicContact CB-CB 4.05Å; L39-I60 HydrophobicContact CB-CG2 4.34Å; L39-I60 HydrophobicContact CD1-CG2 4.38Å; L39-I60 PolarHBondContact N-O 2.89Å; L39-I60 PolarHBondContact O-N 2.97Å; L39-I62 HydrophobicContact CD1-CD1 4.06Å; L39-I62 HydrophobicContact CD1-CG1 4.18Å; L39-L106 HydrophobicContact CD1-CD1 3.59Å; L39-L106 HydrophobicContact CD1-CD2 3.97Å; L39-L106 HydrophobicContact CD1-CG 4.45Å
40K98.2Very high95Very high70 Ų7052.4 Ų52.430%0.30428%0.282SS..EExtended strand (participates in β ladder)trans-111.8114.2171.9-170173.8-177.3177.80109V29 D30 V32 Q57 L58 I76V29-K40 CarbonylContact C-O 3.58Å; V29-K40 WeakPolarHBondContact CA-O 3.29Å; D30-K40 HydrophobicContact CB-CB 4.46Å; D30-K40 PolarHBondContact N-O 3.3Å; D30-K40 PolarHBondContact O-N 2.86Å; V32-K40 HydrophobicContact CG2-CB 3.79Å; K40-Q57 VanDerWaalsContact NZ-CD 3.35Å; K40-L58 CarbonylContact C-O 3.44Å; K40-L58 WeakPolarHBondContact CA-O 3.19Å; K40-I76 HydrophobicContact CG-CD1 4.44Å
41G98.3Very high95.1Very high1 Ų149.9 Ų49.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-89.2158173.200000111.3K28 Q57 L58K28-G41 CarbonylContact O-C 3.56Å; K28-G41 WeakPolarHBondContact O-CA 3.49Å; G41-Q57 CarbonylContact O-C 3.45Å; G41-Q57 WeakPolarHBondContact O-CA 3.48Å; G41-L58 PolarHBondContact N-O 2.78Å; G41-L58 PolarHBondContact O-N 3.03Å
42E98.7Very high95.3Very high29 Ų2951.1 Ų51.114%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-141.9135.7165.3-171.1176.490.800109.4I27 K28 R55 Y56 Q57I27-E42 CarbonylContact C-O 3.51Å; I27-E42 VanDerWaalsContact CA-O 3.32Å; I27-E42 WeakPolarHBondContact CA-O 3.41Å; K28-E42 HydrophobicContact CB-CB 4.23Å; K28-E42 PolarHBondContact N-O 2.86Å; K28-E42 PolarHBondContact O-N 3Å; E42-R55 HydrophobicContact CG-CB 4.27Å; E42-R55 IonicContact OE1-CZ 2.88Å; E42-R55 IonicContact OE1-NE 3.66Å; E42-R55 PolarHBondContact OE1-NE 3.16Å; E42-R55 IonicContact OE1-NH1 3.05Å; E42-R55 IonicContact OE1-NH2 2.88Å; E42-R55 PolarHBondContact OE1-NH2 3.06Å; E42-Y56 VanDerWaalsContact CA-O 3.3Å; E42-Y56 WeakPolarHBondContact CA-O 3.4Å; E42-Q57 HydrophobicContact CG-CG 4.48Å
43I98.8Very high95.6Very high0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-124.3144.317362.1174.6000110.6Q26 I27 Y56 L58 F75 L110 L113 L117Q26-I43 CarbonylContact O-C 3.57Å; Q26-I43 WeakPolarHBondContact O-CA 3.37Å; I27-I43 HydrophobicContact CG2-CG2 4.03Å; I43-Y56 PolarHBondContact N-O 2.82Å; I43-Y56 PolarHBondContact O-N 3.36Å; I43-L58 HydrophobicContact CG1-CD1 4.45Å; I43-L58 HydrophobicContact CG2-CD1 4.07Å; I43-F75 HydrophobicContact CD1-CE1 4.36Å; I43-F75 HydrophobicContact CD1-CZ 4.18Å; I43-L110 HydrophobicContact CG2-CB 4.11Å; I43-L110 HydrophobicContact CG2-CD2 3.88Å; I43-L113 HydrophobicContact CD1-CB 3.98Å; I43-L117 HydrophobicContact CD1-CD1 4Å
44A98.6Very high96.1Very high15 Ų1547.8 Ų47.812%0.12426%0.263CS..EExtended strand (participates in β ladder)trans-79.9140.716900000109.8Q26 Q114Q26-A44 PolarHBondContact O-N 2.93Å; A44-Q114 PolarHBondContact O-NE2 3.2Å
45G98.4Very high96.7Very high7 Ų743.8 Ų43.87%0.07224%0.24CC..PPolyproline II helixtrans-61132.2170.200000110.8Y51 G54G45-Y51 WeakPolarHBondContact CA-O 3.33Å; G45-G54 PolarHBondContact N-O 2.64Å
46P98.2Very high97.3Very high11 Ų1138.3 Ų38.37%0.07121%0.211CC..PPolyproline II helixtrans-62.1150.6-178.5-14.724.4000112.2T49 Q114 L117 A118P46-T49 HydrophobicContact CB-CG2 3.82Å; P46-T49 HydrophobicContact CG-CG2 4.22Å; P46-T49 PolarHBondContact O-OG1 3.39Å; P46-Q114 HydrophobicContact CG-CG 3.78Å; P46-Q114 WeakPolarHBondContact CG-O 3.28Å; P46-L117 HydrophobicContact CG-CB 3.94Å; P46-A118 HydrophobicContact CB-CB 4.21Å; P46-A118 HydrophobicContact CG-CB 4.11Å
47P96.8Very high97.8Very high81 Ų8139.8 Ų39.853%0.52622%0.218SC..THydrogen-bonded Turntrans-62.6155174.529.5-35.8000111.3T49P47-T49 PolarHBondContact O-N 2.92Å; P47-T49 VanDerWaalsContact O-N 3.11Å
48D96Very high98Very high156 Ų15637.2 Ų37.283%0.83420%0.202SC*.THydrogen-bonded Turntrans62.614.1178.8-57.8-58000114.6E52D48-E52 PolarHBondContact N-OE2 3.17Å
49T98.1Very high98.2Very high15 Ų1536.1 Ų36.19%0.09220%0.197CC..SBendtrans-109.9163.6175.174.90000110.7P46 P47 Y51 E52 A118P46-T49 HydrophobicContact CB-CG2 3.82Å; P46-T49 HydrophobicContact CG-CG2 4.22Å; P46-T49 PolarHBondContact O-OG1 3.39Å; P47-T49 PolarHBondContact O-N 2.92Å; P47-T49 VanDerWaalsContact O-N 3.11Å; T49-Y51 PolarHBondContact O-N 3.21Å; T49-Y51 VanDerWaalsContact O-N 3.09Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.32Å; T49-Y51 PolarHBondContact OG1-N 3.47Å; T49-Y51 VanDerWaalsContact OG1-N 3.17Å; T49-E52 WeakPolarHBondContact O-CB 3.3Å; T49-E52 PolarHBondContact O-N 2.97Å; T49-E52 PolarHBondContact OG1-N 2.85Å; T49-A118 HydrophobicContact CG2-CB 4.08Å
50P98.1Very high98.2Very high22 Ų2236.1 Ų36.114%0.14320%0.197CC..THydrogen-bonded Turntrans-63.3-8.9170.127.3-36.6000114.3F141 K142 A145 R146 S149P50-F141 HydrophobicContact CG-CE1 4.46Å; P50-K142 HydrophobicContact CB-CG 4.4Å; P50-A145 HydrophobicContact CB-CB 3.62Å; P50-A145 HydrophobicContact CG-CB 3.75Å; P50-R146 HydrophobicContact CB-CG 3.65Å; P50-R146 WeakPolarHBondContact O-CA 3.33Å; P50-R146 WeakPolarHBondContact O-CG 3.25Å; P50-S149 PolarHBondContact O-OG 3.45Å
51Y98.6Very high98.2Very high4 Ų436.8 Ų36.82%0.01620%0.2CC..THydrogen-bonded Turntrans-94.6-10.2-178-50.1-64.9000113G45 T49 G53 G54 Y56 I79 W80 H81 L117 F141 A145 S149G45-Y51 WeakPolarHBondContact CA-O 3.33Å; T49-Y51 PolarHBondContact O-N 3.21Å; T49-Y51 VanDerWaalsContact O-N 3.09Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.32Å; T49-Y51 PolarHBondContact OG1-N 3.47Å; T49-Y51 VanDerWaalsContact OG1-N 3.17Å; Y51-G53 PolarHBondContact O-N 3.31Å; Y51-G54 WeakPolarHBondContact O-CA 3.33Å; Y51-G54 PolarHBondContact O-N 2.93Å; Y51-Y56 WeakPolarHBondContact CA-OH 3.27Å; Y51-Y56 VanDerWaalsContact CB-OH 3.29Å; Y51-Y56 WeakPolarHBondContact CB-OH 3.32Å; Y51-Y56 WeakPolarHBondContact CD1-OH 3.45Å; Y51-Y56 PolarHBondContact O-OH 2.69Å; Y51-I79 HydrophobicContact CD1-CD1 3.93Å; Y51-I79 HydrophobicContact CD1-CG1 4.1Å; Y51-I79 HydrophobicContact CE1-CD1 3.84Å; Y51-I79 HydrophobicContact CE1-CG1 3.74Å; Y51-W80 WeakPolarHBondContact CE1-O 3.45Å; Y51-W80 PolarHBondContact OH-O 3.47Å; Y51-H81 AromaticContact CE2-CD2 3.84Å; Y51-H81 AromaticContact CZ-CD2 3.7Å; Y51-H81 PolarHBondContact OH-CD2 2.97Å; Y51-L117 HydrophobicContact CD2-CB 3.81Å; Y51-L117 WeakPolarHBondContact CD2-O 3.39Å; Y51-L117 HydrophobicContact CE2-CB 4.21Å; Y51-L117 HydrophobicContact CE2-CD2 4.45Å; Y51-L117 WeakPolarHBondContact CE2-O 3.49Å; Y51-L117 HydrophobicContact CG-CB 4.47Å; Y51-L117 HydrophobicContact CG-CD1 4.43Å; Y51-F141 WeakPolarHBondContact OH-CZ 3.43Å; Y51-A145 HydrophobicContact CE1-CB 3.98Å; Y51-S149 WeakPolarHBondContact CD1-OG 3.5Å
52E98.3Very high98.1Very high100 Ų10037.3 Ų37.347%0.46720%0.203SC..THydrogen-bonded Turntrans-51.9135.3-176.6-175.3176.5172.700112.6D48 T49 G54D48-E52 PolarHBondContact N-OE2 3.17Å; T49-E52 WeakPolarHBondContact O-CB 3.3Å; T49-E52 PolarHBondContact O-N 2.97Å; T49-E52 PolarHBondContact OG1-N 2.85Å; E52-G54 PolarHBondContact O-N 2.88Å
53G97.6Very high98Very high48 Ų4837.3 Ų37.350%0.49521%0.205SC..THydrogen-bonded Turntrans77.5-8.8-176.600000114.5Y51Y51-G53 PolarHBondContact O-N 3.31Å
54G98.3Very high97.8Very high1 Ų144.8 Ų44.81%0.0124%0.24CC..  trans-81.4151.7172.100000112.9G45 Y51 E52 A153G45-G54 PolarHBondContact N-O 2.64Å; Y51-G54 WeakPolarHBondContact O-CA 3.33Å; Y51-G54 PolarHBondContact O-N 2.93Å; E52-G54 PolarHBondContact O-N 2.88Å; G54-A153 CarbonylContact C-O 3.59Å; G54-A153 WeakPolarHBondContact CA-O 3.47Å
55R98.6Very high97.6Very high97 Ų9747.5 Ų47.537%0.36626%0.255SS..EExtended strand (participates in β ladder)trans-119.9127.8169.8-52.4-160.779.6167.80.9110.9N25 E42 A153N25-R55 PolarHBondContact O-NH2 3.47Å; E42-R55 HydrophobicContact CG-CB 4.27Å; E42-R55 IonicContact OE1-CZ 2.88Å; E42-R55 IonicContact OE1-NE 3.66Å; E42-R55 PolarHBondContact OE1-NE 3.16Å; E42-R55 IonicContact OE1-NH1 3.05Å; E42-R55 IonicContact OE1-NH2 2.88Å; E42-R55 PolarHBondContact OE1-NH2 3.06Å; R55-A153 PolarHBondContact N-O 3.01Å
56Y98.8Very high97.5Very high0 Ų047.2 Ų47.20%025%0.252CS..EExtended strand (participates in β ladder)trans-115.3115.4-171.9-56.7-89000110.5E42 I43 Y51 F75 T77 I79 L117 S149 A153E42-Y56 VanDerWaalsContact CA-O 3.3Å; E42-Y56 WeakPolarHBondContact CA-O 3.4Å; I43-Y56 PolarHBondContact N-O 2.82Å; I43-Y56 PolarHBondContact O-N 3.36Å; Y51-Y56 WeakPolarHBondContact CA-OH 3.27Å; Y51-Y56 VanDerWaalsContact CB-OH 3.29Å; Y51-Y56 WeakPolarHBondContact CB-OH 3.32Å; Y51-Y56 WeakPolarHBondContact CD1-OH 3.45Å; Y51-Y56 PolarHBondContact O-OH 2.69Å; Y56-F75 HydrophobicContact CD1-CD1 4.46Å; Y56-F75 HydrophobicContact CD1-CE1 4.38Å; Y56-F75 HydrophobicContact CG-CE1 4.19Å; Y56-T77 HydrophobicContact CD1-CG2 3.82Å; Y56-T77 HydrophobicContact CE1-CG2 4.39Å; Y56-I79 HydrophobicContact CD1-CB 4.33Å; Y56-I79 HydrophobicContact CD1-CD1 3.81Å; Y56-I79 HydrophobicContact CD1-CG1 4.27Å; Y56-I79 HydrophobicContact CE1-CB 4.25Å; Y56-I79 HydrophobicContact CE1-CD1 3.64Å; Y56-I79 HydrophobicContact CE1-CG1 3.87Å; Y56-L117 HydrophobicContact CD2-CD1 4.14Å; Y56-L117 HydrophobicContact CE2-CD1 4.27Å; Y56-S149 VanDerWaalsContact OH-CB 3.23Å; Y56-S149 WeakPolarHBondContact OH-CB 3.3Å; Y56-S149 PolarHBondContact OH-OG 2.69Å; Y56-A153 HydrophobicContact CD1-CB 4.03Å; Y56-A153 HydrophobicContact CE1-CB 3.53Å; Y56-A153 HydrophobicContact CE2-CB 4.27Å
57Q98.7Very high97.4Very high61 Ų6147 Ų4729%0.28525%0.25SS..EExtended strand (participates in β ladder)trans-82.4141177.3-65.2-177.2-4.600110.5K40 G41 E42 I76 T77K40-Q57 VanDerWaalsContact NZ-CD 3.35Å; G41-Q57 CarbonylContact O-C 3.45Å; G41-Q57 WeakPolarHBondContact O-CA 3.48Å; E42-Q57 HydrophobicContact CG-CG 4.48Å; Q57-I76 HydrophobicContact CB-CB 4.09Å; Q57-I76 HydrophobicContact CB-CD1 4.42Å; Q57-I76 PolarHBondContact O-N 2.92Å; Q57-T77 PolarHBondContact N-OG1 2.92Å; Q57-T77 PolarHBondContact O-N 2.96Å
58L98.7Very high97.4Very high0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-124.6135.4-175.9-56.5170.6000109.3K40 G41 I43 I60 V73 R74 F75 L110 L113K40-L58 CarbonylContact C-O 3.44Å; K40-L58 WeakPolarHBondContact CA-O 3.19Å; G41-L58 PolarHBondContact N-O 2.78Å; G41-L58 PolarHBondContact O-N 3.03Å; I43-L58 HydrophobicContact CG1-CD1 4.45Å; I43-L58 HydrophobicContact CG2-CD1 4.07Å; L58-I60 HydrophobicContact CB-CG1 4.34Å; L58-V73 HydrophobicContact CB-CG1 4.23Å; L58-V73 HydrophobicContact CD2-CG1 4.45Å; L58-R74 CarbonylContact C-O 3.19Å; L58-R74 WeakPolarHBondContact CA-O 3.32Å; L58-F75 HydrophobicContact CD2-CB 4.46Å; L58-F75 HydrophobicContact CD2-CD1 3.68Å; L58-F75 HydrophobicContact CD2-CD2 3.71Å; L58-F75 HydrophobicContact CD2-CE1 3.7Å; L58-F75 HydrophobicContact CD2-CE2 3.71Å; L58-F75 HydrophobicContact CD2-CG 3.68Å; L58-F75 HydrophobicContact CD2-CZ 3.71Å; L58-L110 HydrophobicContact CD1-CD2 3.55Å; L58-L113 HydrophobicContact CD1-CD1 3.71Å; L58-L113 HydrophobicContact CD2-CD1 4.44Å
59E98.4Very high97.4Very high39 Ų3946 Ų4618%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-87.9127.2164.4-177.8-173.6-6100107.4K61 V73 R74 I76E59-K61 HydrophobicContact CG-CG 4.43Å; E59-K61 IonicContact OE1-NZ 3.06Å; E59-K61 VanDerWaalsContact OE2-CE 3.23Å; E59-K61 WeakPolarHBondContact OE2-CE 3.32Å; E59-K61 IonicContact OE2-NZ 3.37Å; E59-K61 PolarHBondContact OE2-NZ 3.3Å; E59-V73 CarbonylContact O-C 3.56Å; E59-V73 VanDerWaalsContact O-CA 3.28Å; E59-V73 WeakPolarHBondContact O-CA 3.43Å; E59-R74 HydrophobicContact CB-CB 4.48Å; E59-R74 PolarHBondContact N-O 3.41Å; E59-R74 PolarHBondContact O-N 2.94Å; E59-R74 IonicContact OE1-CZ 2.86Å; E59-R74 IonicContact OE1-NE 3.72Å; E59-R74 IonicContact OE1-NH2 3.52Å; E59-R74 PolarHBondContact OE1-NH2 2.88Å; E59-I76 HydrophobicContact CB-CD1 3.98Å; E59-I76 HydrophobicContact CB-CG1 3.86Å
60I98.4Very high97.4Very high2 Ų246.3 Ų46.31%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-127.2113.5-179.1-59.3170000107.8L39 L58 I62 P71 K72 V73 L106 L110L39-I60 HydrophobicContact CB-CB 4.05Å; L39-I60 HydrophobicContact CB-CG2 4.34Å; L39-I60 HydrophobicContact CD1-CG2 4.38Å; L39-I60 PolarHBondContact N-O 2.89Å; L39-I60 PolarHBondContact O-N 2.97Å; L58-I60 HydrophobicContact CB-CG1 4.34Å; I60-I62 HydrophobicContact CG2-CD1 3.93Å; I60-P71 HydrophobicContact CG2-CB 3.97Å; I60-K72 WeakPolarHBondContact CA-O 3.25Å; I60-V73 HydrophobicContact CG1-CG1 4.09Å; I60-V73 HydrophobicContact CG1-CG2 4.27Å; I60-V73 HydrophobicContact CG2-CG2 4.47Å; I60-L106 HydrophobicContact CG2-CD2 4.18Å; I60-L110 HydrophobicContact CD1-CD2 4.26Å
61K97.7Very high97.4Very high84 Ų8445.4 Ų45.437%0.36523%0.231SC..EExtended strand (participates in β ladder)trans-109.1123.7177.5-68.8178.1171.4149.80110.6T37 E38 E59 P71 K72T37-K61 WeakPolarHBondContact O-CA 3.48Å; E38-K61 HydrophobicContact CG-CG 4.42Å; E38-K61 WeakPolarHBondContact OE1-CE 3.39Å; E38-K61 IonicContact OE1-NZ 2.89Å; E59-K61 HydrophobicContact CG-CG 4.43Å; E59-K61 IonicContact OE1-NZ 3.06Å; E59-K61 VanDerWaalsContact OE2-CE 3.23Å; E59-K61 WeakPolarHBondContact OE2-CE 3.32Å; E59-K61 IonicContact OE2-NZ 3.37Å; E59-K61 PolarHBondContact OE2-NZ 3.3Å; K61-P71 WeakPolarHBondContact O-CA 3.47Å; K61-K72 HydrophobicContact CB-CB 4.29Å; K61-K72 PolarHBondContact N-O 3.3Å; K61-K72 PolarHBondContact O-N 3.25Å
62I96.9Very high97.3Very high12 Ų1252.7 Ų52.76%0.06226%0.262CS..  trans-88.6120.2-177.7-53.8-52.7000109M1 I9 F36 T37 L39 I60 Y66 P71 L106M1-I62 HydrophobicContact CE-CB 4.08Å; M1-I62 HydrophobicContact CE-CG2 3.87Å; M1-I62 HydrophobicContact SD-CG2 4.45Å; I9-I62 HydrophobicContact CD1-CD1 3.72Å; I9-I62 HydrophobicContact CD1-CG1 3.88Å; I9-I62 HydrophobicContact CD1-CG2 3.91Å; I9-I62 HydrophobicContact CG1-CG1 4.33Å; I9-I62 HydrophobicContact CG1-CG2 4.03Å; F36-I62 WeakPolarHBondContact O-CG1 3.32Å; T37-I62 PolarHBondContact O-N 3.41Å; L39-I62 HydrophobicContact CD1-CD1 4.06Å; L39-I62 HydrophobicContact CD1-CG1 4.18Å; I60-I62 HydrophobicContact CG2-CD1 3.93Å; I62-Y66 HydrophobicContact CG2-CD1 4.17Å; I62-Y66 HydrophobicContact CG2-CD2 4.25Å; I62-Y66 HydrophobicContact CG2-CG 3.73Å; I62-P71 HydrophobicContact CD1-CB 3.92Å; I62-L106 HydrophobicContact CD1-CD2 4.26Å
63P96.2Very high97.4Very high29 Ų2948.8 Ų48.819%0.18825%0.245CC..  trans-70.9157.2176.131.5-36.5000111.2T65 Y66 N69 P70P63-T65 PolarHBondContact O-N 3.3Å; P63-Y66 VanDerWaalsContact O-CB 3.25Å; P63-Y66 WeakPolarHBondContact O-CB 3.3Å; P63-Y66 PolarHBondContact O-N 3.46Å; P63-N69 HydrophobicContact CG-CB 4.22Å; P63-P70 WeakPolarHBondContact CG-O 3.39Å
64E94Very high97.4Very high157 Ų15750.4 Ų50.473%0.73424%0.236SC*.THydrogen-bonded Turntrans-61.8-26.3175.6-60.6-165.7147.600113.3Y66E64-Y66 VanDerWaalsContact C-N 3.28Å; E64-Y66 PolarHBondContact O-N 3.25Å
65T95.4Very high97.4Very high71 Ų7150.4 Ų50.444%0.43624%0.236SC..THydrogen-bonded Turntrans-85.34.6178.653.60000113.3P63 F68 N69P63-T65 PolarHBondContact O-N 3.3Å; T65-F68 WeakPolarHBondContact O-CB 3.5Å; T65-F68 PolarHBondContact O-N 3.37Å; T65-N69 WeakPolarHBondContact CB-OD1 3.49Å; T65-N69 WeakPolarHBondContact OG1-CB 3.06Å; T65-N69 PolarHBondContact OG1-OD1 2.89Å
66Y96.5Very high97.4Very high2 Ų249.3 Ų49.31%0.00824%0.236CC..THydrogen-bonded Turntrans-58.1131.3174.6-167.7-97.5000109.8A5 R8 I9 E12 I62 P63 E64 N69 W100A5-Y66 VanDerWaalsContact CB-O 3.24Å; A5-Y66 WeakPolarHBondContact CB-O 3.43Å; R8-Y66 HydrophobicContact CB-CE1 4.33Å; R8-Y66 HydrophobicContact CG-CE1 3.8Å; R8-Y66 PolarHBondContact NE-OH 3.39Å; I9-Y66 HydrophobicContact CD1-CD1 3.6Å; I9-Y66 HydrophobicContact CD1-CE1 3.34Å; I9-Y66 HydrophobicContact CD1-CG 4.32Å; I9-Y66 HydrophobicContact CG1-CD1 4Å; I9-Y66 HydrophobicContact CG1-CE1 4.08Å; E12-Y66 VanDerWaalsContact CD-OH 3.24Å; E12-Y66 PolarHBondContact OE1-OH 3.38Å; E12-Y66 PolarHBondContact OE2-OH 2.97Å; I62-Y66 HydrophobicContact CG2-CD1 4.17Å; I62-Y66 HydrophobicContact CG2-CD2 4.25Å; I62-Y66 HydrophobicContact CG2-CG 3.73Å; P63-Y66 VanDerWaalsContact O-CB 3.25Å; P63-Y66 WeakPolarHBondContact O-CB 3.3Å; P63-Y66 PolarHBondContact O-N 3.46Å; E64-Y66 VanDerWaalsContact C-N 3.28Å; E64-Y66 PolarHBondContact O-N 3.25Å; Y66-N69 WeakPolarHBondContact CD2-O 3.38Å; Y66-W100 HydrophobicContact CD2-CZ2 4.38Å; Y66-W100 AromaticContact CE2-CH2 3.88Å; Y66-W100 HydrophobicContact CE2-CH2 3.88Å; Y66-W100 AromaticContact CE2-CZ2 3.6Å; Y66-W100 HydrophobicContact CE2-CZ2 3.6Å
67P96.1Very high97.4Very high5 Ų550 Ų503%0.03224%0.241CC..THydrogen-bonded Turncis-101.512.613.138.2-36.2000116.9R8 N69 W100R8-P67 VanDerWaalsContact CD-CB 3.4Å; P67-N69 PolarHBondContact O-N 3.45Å; P67-W100 PolarHBondContact O-NE1 2.92Å
68F95.8Very high97.4Very high141 Ų14150.5 Ų50.562%0.61824%0.242SC*.THydrogen-bonded Turntrans-75.5-19.4-178.5-53.6-69.6000111.9T65T65-F68 WeakPolarHBondContact O-CB 3.5Å; T65-F68 PolarHBondContact O-N 3.37Å
69N96.7Very high97.4Very high77 Ų7750.6 Ų50.641%0.41224%0.243SC..SBendtrans-120.6151.3169.4-65.6106.8000111.6P63 T65 Y66 P67P63-N69 HydrophobicContact CG-CB 4.22Å; T65-N69 WeakPolarHBondContact CB-OD1 3.49Å; T65-N69 WeakPolarHBondContact OG1-CB 3.06Å; T65-N69 PolarHBondContact OG1-OD1 2.89Å; Y66-N69 WeakPolarHBondContact CD2-O 3.38Å; P67-N69 PolarHBondContact O-N 3.45Å
70P97.6Very high97.4Very high21 Ų2148.8 Ų48.814%0.13623%0.234CC..PPolyproline II helixtrans-67.8155.8-17926.8-33.7000112.2P63 W100P63-P70 WeakPolarHBondContact CG-O 3.39Å; P70-W100 HydrophobicContact CB-CB 3.99Å; P70-W100 HydrophobicContact CB-CD2 3.55Å; P70-W100 HydrophobicContact CB-CE3 3.63Å; P70-W100 HydrophobicContact CB-CG 3.71Å; P70-W100 HydrophobicContact CB-CZ3 4.31Å; P70-W100 HydrophobicContact CG-CB 4.02Å; P70-W100 HydrophobicContact CG-CD2 4.42Å; P70-W100 HydrophobicContact CG-CG 4.07Å
71P97.8Very high97.4Very high3 Ų348.7 Ų48.72%0.01923%0.234CC..PPolyproline II helixtrans-63.9146.8165.830.7-34.1000110.3I60 K61 I62 V73 V109I60-P71 HydrophobicContact CG2-CB 3.97Å; K61-P71 WeakPolarHBondContact O-CA 3.47Å; I62-P71 HydrophobicContact CD1-CB 3.92Å; P71-V73 HydrophobicContact CB-CG2 4.26Å; P71-V73 HydrophobicContact CG-CG2 4.11Å; P71-V73 PolarHBondContact O-N 3.09Å; P71-V109 HydrophobicContact CG-CG2 4.41Å
72K98Very high97.4Very high157 Ų15744.7 Ų44.768%0.68322%0.216SC*.EExtended strand (participates in β ladder)trans-82.5116.8168.9-64.5-176.6-179.6-178.50108.2I60 K61I60-K72 WeakPolarHBondContact CA-O 3.25Å; K61-K72 HydrophobicContact CB-CB 4.29Å; K61-K72 PolarHBondContact N-O 3.3Å; K61-K72 PolarHBondContact O-N 3.25Å
73V98.4Very high97.5Very high17 Ų1744.3 Ų44.310%0.10321%0.214CC..EExtended strand (participates in β ladder)trans-116.9139.3-177.9-169.20000110.6L58 E59 I60 P71 I91 L96 V109 L113L58-V73 HydrophobicContact CB-CG1 4.23Å; L58-V73 HydrophobicContact CD2-CG1 4.45Å; E59-V73 CarbonylContact O-C 3.56Å; E59-V73 VanDerWaalsContact O-CA 3.28Å; E59-V73 WeakPolarHBondContact O-CA 3.43Å; I60-V73 HydrophobicContact CG1-CG1 4.09Å; I60-V73 HydrophobicContact CG1-CG2 4.27Å; I60-V73 HydrophobicContact CG2-CG2 4.47Å; P71-V73 HydrophobicContact CB-CG2 4.26Å; P71-V73 HydrophobicContact CG-CG2 4.11Å; P71-V73 PolarHBondContact O-N 3.09Å; V73-I91 HydrophobicContact CB-CD1 4.08Å; V73-I91 HydrophobicContact CG1-CD1 3.86Å; V73-L96 HydrophobicContact CB-CD1 4.08Å; V73-L96 HydrophobicContact CG2-CD1 4.39Å; V73-L96 HydrophobicContact CG2-CD2 4.01Å; V73-V109 HydrophobicContact CG2-CG1 4.17Å; V73-L113 HydrophobicContact CG1-CD1 3.87Å
74R98.3Very high97.6Very high82 Ų8242.9 Ų42.931%0.30921%0.205SC..EExtended strand (participates in β ladder)trans-144.1141.6177.2-170.3-175.76674.14110.2L58 E59 I76 T88 G89L58-R74 CarbonylContact C-O 3.19Å; L58-R74 WeakPolarHBondContact CA-O 3.32Å; E59-R74 HydrophobicContact CB-CB 4.48Å; E59-R74 PolarHBondContact N-O 3.41Å; E59-R74 PolarHBondContact O-N 2.94Å; E59-R74 IonicContact OE1-CZ 2.86Å; E59-R74 IonicContact OE1-NE 3.72Å; E59-R74 IonicContact OE1-NH2 3.52Å; E59-R74 PolarHBondContact OE1-NH2 2.88Å; R74-I76 PolarHBondContact O-N 2.87Å; R74-T88 WeakPolarHBondContact CD-O 3.44Å; R74-T88 WeakPolarHBondContact CG-O 3.38Å; R74-T88 PolarHBondContact NH1-O 2.7Å; R74-G89 WeakPolarHBondContact CA-O 3.29Å; R74-G89 VanDerWaalsContact CG-C 3.48Å; R74-G89 VanDerWaalsContact CG-O 3.32Å; R74-G89 WeakPolarHBondContact CG-O 3.41Å
75F98.7Very high97.8Very high2 Ų236.1 Ų36.11%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-70.4123.4171-80.5-104.2000110.6I43 Y56 L58 I79 I84 G89 I91 L113 L117I43-F75 HydrophobicContact CD1-CE1 4.36Å; I43-F75 HydrophobicContact CD1-CZ 4.18Å; Y56-F75 HydrophobicContact CD1-CD1 4.46Å; Y56-F75 HydrophobicContact CD1-CE1 4.38Å; Y56-F75 HydrophobicContact CG-CE1 4.19Å; L58-F75 HydrophobicContact CD2-CB 4.46Å; L58-F75 HydrophobicContact CD2-CD1 3.68Å; L58-F75 HydrophobicContact CD2-CD2 3.71Å; L58-F75 HydrophobicContact CD2-CE1 3.7Å; L58-F75 HydrophobicContact CD2-CE2 3.71Å; L58-F75 HydrophobicContact CD2-CG 3.68Å; L58-F75 HydrophobicContact CD2-CZ 3.71Å; F75-I79 HydrophobicContact CB-CG2 4.44Å; F75-I79 HydrophobicContact CD1-CG2 4.06Å; F75-I79 HydrophobicContact CE1-CD1 4.13Å; F75-I79 HydrophobicContact CG-CG2 4.19Å; F75-I84 HydrophobicContact CB-CG2 4.26Å; F75-I84 HydrophobicContact CD2-CD1 3.85Å; F75-I84 HydrophobicContact CD2-CG1 4.24Å; F75-I84 HydrophobicContact CD2-CG2 3.74Å; F75-I84 HydrophobicContact CE1-CD1 4.17Å; F75-I84 HydrophobicContact CE2-CD1 3.35Å; F75-I84 HydrophobicContact CE2-CG1 4.01Å; F75-I84 HydrophobicContact CE2-CG2 4.36Å; F75-I84 HydrophobicContact CG-CD1 4.47Å; F75-I84 HydrophobicContact CG-CG2 4.09Å; F75-I84 HydrophobicContact CZ-CD1 3.53Å; F75-G89 PolarHBondContact N-O 3.05Å; F75-I91 HydrophobicContact CD2-CD1 3.57Å; F75-I91 HydrophobicContact CD2-CG1 3.61Å; F75-I91 HydrophobicContact CE2-CD1 3.59Å; F75-I91 HydrophobicContact CE2-CG1 3.81Å; F75-L113 HydrophobicContact CE2-CD2 4.39Å; F75-L117 HydrophobicContact CZ-CD2 4.42Å
76I98.4Very high97.9Very high73 Ų7333.1 Ų33.137%0.37416%0.157SC..SBendtrans-81-45.9168-59.3170.1000108.5K40 Q57 E59 R74 K78K40-I76 HydrophobicContact CG-CD1 4.44Å; Q57-I76 HydrophobicContact CB-CB 4.09Å; Q57-I76 HydrophobicContact CB-CD1 4.42Å; Q57-I76 PolarHBondContact O-N 2.92Å; E59-I76 HydrophobicContact CB-CD1 3.98Å; E59-I76 HydrophobicContact CB-CG1 3.86Å; R74-I76 PolarHBondContact O-N 2.87Å; I76-K78 PolarHBondContact O-N 2.87Å
77T98.6Very high97.9Very high16 Ų1637.9 Ų37.910%0.09819%0.186CC..SBendtrans-68.9122.6173.8-59.60000109.6Y56 Q57 I79 Y152 A153Y56-T77 HydrophobicContact CD1-CG2 3.82Å; Y56-T77 HydrophobicContact CE1-CG2 4.39Å; Q57-T77 PolarHBondContact N-OG1 2.92Å; Q57-T77 PolarHBondContact O-N 2.96Å; T77-I79 PolarHBondContact O-N 3.37Å; T77-Y152 VanDerWaalsContact CG2-O 3.32Å; T77-Y152 WeakPolarHBondContact CG2-O 3.47Å; T77-A153 HydrophobicContact CG2-CB 3.95Å
78K98.4Very high97.9Very high70 Ų7041.1 Ų41.130%0.30421%0.206SC..  trans-57.6136.1174-76177.6174.5-73.30110.4I76 W148 Y152I76-K78 PolarHBondContact O-N 2.87Å; K78-W148 HydrophobicContact CB-CE3 4.1Å; K78-W148 HydrophobicContact CB-CZ3 3.92Å; K78-Y152 HydrophobicContact CB-CD1 4.03Å; K78-Y152 HydrophobicContact CB-CD2 3.69Å; K78-Y152 HydrophobicContact CB-CE1 4.36Å; K78-Y152 HydrophobicContact CB-CE2 4.05Å; K78-Y152 HydrophobicContact CB-CG 3.68Å; K78-Y152 HydrophobicContact CD-CD1 4.08Å; K78-Y152 HydrophobicContact CD-CE1 3.69Å; K78-Y152 HydrophobicContact CD-CE2 4.26Å; K78-Y152 WeakPolarHBondContact O-CB 3.46Å
79I98.7Very high98Very high2 Ų234.6 Ų34.61%0.0118%0.179CC..  trans-144147-177-169.1171.9000110.4Y51 Y56 F75 T77 H81 I84 L117 W148Y51-I79 HydrophobicContact CD1-CD1 3.93Å; Y51-I79 HydrophobicContact CD1-CG1 4.1Å; Y51-I79 HydrophobicContact CE1-CD1 3.84Å; Y51-I79 HydrophobicContact CE1-CG1 3.74Å; Y56-I79 HydrophobicContact CD1-CB 4.33Å; Y56-I79 HydrophobicContact CD1-CD1 3.81Å; Y56-I79 HydrophobicContact CD1-CG1 4.27Å; Y56-I79 HydrophobicContact CE1-CB 4.25Å; Y56-I79 HydrophobicContact CE1-CD1 3.64Å; Y56-I79 HydrophobicContact CE1-CG1 3.87Å; F75-I79 HydrophobicContact CB-CG2 4.44Å; F75-I79 HydrophobicContact CD1-CG2 4.06Å; F75-I79 HydrophobicContact CE1-CD1 4.13Å; F75-I79 HydrophobicContact CG-CG2 4.19Å; T77-I79 PolarHBondContact O-N 3.37Å; I79-H81 HydrophobicContact CD1-CB 4.47Å; I79-H81 HydrophobicContact CG1-CB 4.36Å; I79-I84 HydrophobicContact CD1-CD1 4.13Å; I79-I84 HydrophobicContact CG2-CB 3.91Å; I79-I84 HydrophobicContact CG2-CD1 3.94Å; I79-I84 HydrophobicContact CG2-CG2 3.5Å; I79-I84 VanDerWaalsContact CG2-CG2 3.5Å; I79-L117 HydrophobicContact CD1-CD1 4.22Å; I79-L117 HydrophobicContact CD1-CD2 3.44Å; I79-L117 VanDerWaalsContact CD1-CD2 3.44Å; I79-L117 HydrophobicContact CD1-CG 4.49Å; I79-W148 VanDerWaalsContact C-CE3 3.48Å
80W98.6Very high98.1Very high1 Ų132.5 Ų32.50%0.00417%0.172CC..  trans-104.497.7174.3-163.5-106.6000108.9Y51 V129 V130 F141 T144 A145 W148Y51-W80 WeakPolarHBondContact CE1-O 3.45Å; Y51-W80 PolarHBondContact OH-O 3.47Å; W80-V129 HydrophobicContact CH2-CG1 4.36Å; W80-V130 HydrophobicContact CD2-CG1 4.2Å; W80-V130 HydrophobicContact CD2-CG2 3.69Å; W80-V130 HydrophobicContact CE3-CG2 3.74Å; W80-V130 HydrophobicContact CG-CG1 4.14Å; W80-V130 HydrophobicContact CG-CG2 4.39Å; W80-V130 HydrophobicContact CH2-CG2 3.76Å; W80-V130 HydrophobicContact CZ2-CB 4.4Å; W80-V130 HydrophobicContact CZ2-CG2 3.72Å; W80-V130 HydrophobicContact CZ3-CG2 3.77Å; W80-F141 AromaticContact CD1-CD2 3.78Å; W80-F141 AromaticContact CD1-CE2 3.8Å; W80-F141 AromaticContact NE1-CD2 3.97Å; W80-T144 HydrophobicContact CD2-CG2 3.94Å; W80-T144 HydrophobicContact CG-CG2 3.88Å; W80-T144 HydrophobicContact CZ2-CG2 4.35Å; W80-A145 HydrophobicContact CB-CB 4.37Å; W80-W148 HydrophobicContact CB-CB 4.04Å; W80-W148 HydrophobicContact CB-CD2 3.8Å; W80-W148 HydrophobicContact CB-CE3 4.19Å; W80-W148 HydrophobicContact CB-CG 3.73Å; W80-W148 HydrophobicContact CD2-CZ2 4.32Å; W80-W148 HydrophobicContact CE3-CD2 4.09Å; W80-W148 AromaticContact CE3-CE2 3.48Å; W80-W148 VanDerWaalsContact CE3-CE2 3.48Å; W80-W148 HydrophobicContact CE3-CE3 4.42Å; W80-W148 AromaticContact CE3-CH2 3.7Å; W80-W148 HydrophobicContact CE3-CH2 3.7Å; W80-W148 AromaticContact CE3-CZ2 3.29Å; W80-W148 HydrophobicContact CE3-CZ2 3.29Å; W80-W148 HydrophobicContact CE3-CZ3 4.24Å; W80-W148 AromaticContact CE3-NE1 3.93Å; W80-W148 HydrophobicContact CG-CD2 4.48Å; W80-W148 HydrophobicContact CG-CG 4.49Å; W80-W148 HydrophobicContact CZ3-CH2 4.01Å; W80-W148 AromaticContact CZ3-CZ2 3.56Å; W80-W148 HydrophobicContact CZ3-CZ2 3.56Å
81H98.7Very high98.1Very high1 Ų132.3 Ų32.31%0.00517%0.17CC..BIsolated β-bridgetrans-149139.1-177-173.8-81.6000110.8Y51 I79 N83 I84 L116 V130Y51-H81 AromaticContact CE2-CD2 3.84Å; Y51-H81 AromaticContact CZ-CD2 3.7Å; Y51-H81 PolarHBondContact OH-CD2 2.97Å; I79-H81 HydrophobicContact CD1-CB 4.47Å; I79-H81 HydrophobicContact CG1-CB 4.36Å; H81-N83 VanDerWaalsContact C-N 3.29Å; H81-N83 PolarHBondContact CE1-OD1 3.41Å; H81-N83 VanDerWaalsContact CE1-OD1 3.24Å; H81-N83 PolarHBondContact ND1-N 2.97Å; H81-N83 PolarHBondContact O-N 3.17Å; H81-I84 HydrophobicContact CB-CB 4.15Å; H81-I84 HydrophobicContact CB-CD1 3.95Å; H81-I84 HydrophobicContact CB-CG1 4.22Å; H81-I84 PolarHBondContact O-N 3.23Å; H81-I84 VanDerWaalsContact O-N 3.08Å; H81-L116 PolarHBondContact NE2-O 2.84Å; H81-V130 VanDerWaalsContact C-CG1 3.43Å
82P98.6Very high97.9Very high0 Ų032.5 Ų32.50%017%0.171CC..THydrogen-bonded Turntrans-55.7-39.1-176.4-28.737.2000114.5A120 P122 Q126 D127 V130 A131 Y134 F141P82-A120 HydrophobicContact CB-CB 4.44Å; P82-A120 HydrophobicContact CG-CB 3.92Å; P82-P122 HydrophobicContact CB-CB 4.29Å; P82-Q126 PolarHBondContact O-N 3.37Å; P82-D127 PolarHBondContact O-N 3.2Å; P82-V130 HydrophobicContact CG-CG1 4.31Å; P82-A131 HydrophobicContact CB-CB 4.03Å; P82-Y134 HydrophobicContact CG-CD2 3.77Å; P82-Y134 HydrophobicContact CG-CE2 4.48Å; P82-Y134 HydrophobicContact CG-CG 3.83Å; P82-F141 HydrophobicContact CG-CE2 4.34Å
83N98.6Very high97.7Very high3 Ų326.2 Ų26.22%0.01615%0.145CC..THydrogen-bonded Turntrans-92.19.5-179.1-49.994.6000114.4H81 C92 L116 E121 D124 Q126H81-N83 VanDerWaalsContact C-N 3.29Å; H81-N83 PolarHBondContact CE1-OD1 3.41Å; H81-N83 VanDerWaalsContact CE1-OD1 3.24Å; H81-N83 PolarHBondContact ND1-N 2.97Å; H81-N83 PolarHBondContact O-N 3.17Å; N83-C92 HydrophobicContact CB-CB 4.38Å; N83-C92 PolarHBondContact O-N 3.08Å; N83-L116 HydrophobicContact CB-CD1 4.03Å; N83-L116 HydrophobicContact CB-CD2 4.15Å; N83-L116 HydrophobicContact CB-CG 4.43Å; N83-E121 PolarHBondContact ND2-O 2.86Å; N83-E121 PolarHBondContact OD1-N 3.08Å; N83-D124 PolarHBondContact ND2-O 3.02Å; N83-Q126 VanDerWaalsContact O-CB 3.28Å; N83-Q126 WeakPolarHBondContact O-CB 3.49Å
84I98.6Very high97.4Very high0 Ų029.1 Ų29.10%016%0.16CC..BIsolated β-bridgetrans-132.5128.8177.6-52.8163.4000109.6F75 I79 H81 S86 A90 I91 L117F75-I84 HydrophobicContact CB-CG2 4.26Å; F75-I84 HydrophobicContact CD2-CD1 3.85Å; F75-I84 HydrophobicContact CD2-CG1 4.24Å; F75-I84 HydrophobicContact CD2-CG2 3.74Å; F75-I84 HydrophobicContact CE1-CD1 4.17Å; F75-I84 HydrophobicContact CE2-CD1 3.35Å; F75-I84 HydrophobicContact CE2-CG1 4.01Å; F75-I84 HydrophobicContact CE2-CG2 4.36Å; F75-I84 HydrophobicContact CG-CD1 4.47Å; F75-I84 HydrophobicContact CG-CG2 4.09Å; F75-I84 HydrophobicContact CZ-CD1 3.53Å; I79-I84 HydrophobicContact CD1-CD1 4.13Å; I79-I84 HydrophobicContact CG2-CB 3.91Å; I79-I84 HydrophobicContact CG2-CD1 3.94Å; I79-I84 HydrophobicContact CG2-CG2 3.5Å; I79-I84 VanDerWaalsContact CG2-CG2 3.5Å; H81-I84 HydrophobicContact CB-CB 4.15Å; H81-I84 HydrophobicContact CB-CD1 3.95Å; H81-I84 HydrophobicContact CB-CG1 4.22Å; H81-I84 PolarHBondContact O-N 3.23Å; H81-I84 VanDerWaalsContact O-N 3.08Å; I84-S86 PolarHBondContact O-N 3.43Å; I84-A90 CarbonylContact C-O 3.59Å; I84-A90 VanDerWaalsContact CA-O 3.29Å; I84-A90 WeakPolarHBondContact CA-O 3.47Å; I84-I91 HydrophobicContact CG1-CG1 4.49Å; I84-L117 HydrophobicContact CD1-CD2 3.78Å
85S98.3Very high97.3Very high15 Ų1526 Ų2611%0.10515%0.149CC..  trans-63.1123.9179.2176.80000111.1V87 T88 G89 A90S85-V87 PolarHBondContact O-N 2.75Å; S85-V87 PolarHBondContact OG-N 2.74Å; S85-T88 VanDerWaalsContact CB-OG1 3.23Å; S85-T88 WeakPolarHBondContact CB-OG1 3.36Å; S85-T88 PolarHBondContact OG-N 2.79Å; S85-T88 PolarHBondContact OG-OG1 3.48Å; S85-G89 WeakPolarHBondContact O-CA 3.29Å; S85-G89 PolarHBondContact O-N 2.68Å; S85-A90 PolarHBondContact N-O 2.92Å
86S97.3Very high97.1Very high7 Ų727.1 Ų27.15%0.04916%0.155CC..THydrogen-bonded Turntrans-64.7-20.4176.361.40000113.5I84 D127I84-S86 PolarHBondContact O-N 3.43Å; S86-D127 VanDerWaalsContact CB-OD2 3.29Å; S86-D127 WeakPolarHBondContact CB-OD2 3.37Å; S86-D127 PolarHBondContact N-OD2 3.23Å; S86-D127 PolarHBondContact OG-OD2 2.91Å
87V95.4Very high96.7Very high103 Ų10328.6 Ų28.662%0.62416%0.159SC*.THydrogen-bonded Turntrans-93.7-52.5-179.2-179.40000111.4S85S85-V87 PolarHBondContact O-N 2.75Å; S85-V87 PolarHBondContact OG-N 2.74Å
88T96.8Very high96.5Very high72 Ų7233.5 Ų33.544%0.44218%0.184SC..THydrogen-bonded Turntrans-103.2-20.6-168.965.70000113.8R74 S85 A90R74-T88 WeakPolarHBondContact CD-O 3.44Å; R74-T88 WeakPolarHBondContact CG-O 3.38Å; R74-T88 PolarHBondContact NH1-O 2.7Å; S85-T88 VanDerWaalsContact CB-OG1 3.23Å; S85-T88 WeakPolarHBondContact CB-OG1 3.36Å; S85-T88 PolarHBondContact OG-N 2.79Å; S85-T88 PolarHBondContact OG-OG1 3.48Å; T88-A90 PolarHBondContact O-N 3.49Å; T88-A90 WeakPolarHBondContact OG1-CB 3.42Å; T88-A90 PolarHBondContact OG1-N 2.97Å
89G98Very high96.3Very high5 Ų535.3 Ų35.35%0.05219%0.194CC..  trans73.510.8-17000000114.2R74 F75 S85R74-G89 WeakPolarHBondContact CA-O 3.29Å; R74-G89 VanDerWaalsContact CG-C 3.48Å; R74-G89 VanDerWaalsContact CG-O 3.32Å; R74-G89 WeakPolarHBondContact CG-O 3.41Å; F75-G89 PolarHBondContact N-O 3.05Å; S85-G89 WeakPolarHBondContact O-CA 3.29Å; S85-G89 PolarHBondContact O-N 2.68Å
90A97.8Very high96.3Very high33 Ų3336.6 Ų36.627%0.27320%0.199SC..BIsolated β-bridgetrans-58.4146.817100000110.6I84 S85 T88 Q126I84-A90 CarbonylContact C-O 3.59Å; I84-A90 VanDerWaalsContact CA-O 3.29Å; I84-A90 WeakPolarHBondContact CA-O 3.47Å; S85-A90 PolarHBondContact N-O 2.92Å; T88-A90 PolarHBondContact O-N 3.49Å; T88-A90 WeakPolarHBondContact OG1-CB 3.42Å; T88-A90 PolarHBondContact OG1-N 2.97Å; A90-Q126 WeakPolarHBondContact O-CG 3.36Å
91I97.9Very high96.2Very high17 Ų1738.7 Ų38.79%0.08722%0.216CC..BIsolated β-bridgetrans-118.7131-170.7-55.9164.6000109.5V73 F75 I84 L93 L96 L113 L116V73-I91 HydrophobicContact CB-CD1 4.08Å; V73-I91 HydrophobicContact CG1-CD1 3.86Å; F75-I91 HydrophobicContact CD2-CD1 3.57Å; F75-I91 HydrophobicContact CD2-CG1 3.61Å; F75-I91 HydrophobicContact CE2-CD1 3.59Å; F75-I91 HydrophobicContact CE2-CG1 3.81Å; I84-I91 HydrophobicContact CG1-CG1 4.49Å; I91-L93 HydrophobicContact CG2-CB 3.89Å; I91-L96 HydrophobicContact CB-CD1 4.29Å; I91-L96 HydrophobicContact CD1-CD1 4.3Å; I91-L96 HydrophobicContact CG2-CD1 4.12Å; I91-L113 HydrophobicContact CD1-CD1 4.45Å; I91-L113 HydrophobicContact CD1-CD2 3.83Å; I91-L113 HydrophobicContact CG2-CD2 3.93Å; I91-L116 HydrophobicContact CG2-CD2 4.11Å
92C94.6Very high96.1Very high7 Ų740.7 Ų40.75%0.04723%0.233CC..  trans-96.1100.7164.5-170.70000108.9N83 K97 D124 Q126N83-C92 HydrophobicContact CB-CB 4.38Å; N83-C92 PolarHBondContact O-N 3.08Å; C92-K97 PolarHBondContact SG-NZ 3.21Å; C92-D124 PolarHBondContact SG-OD2 3.48Å; C92-D124 VanDerWaalsContact SG-OD2 3.35Å; C92-Q126 HydrophobicContact CB-CB 3.77Å; C92-Q126 HydrophobicContact CB-CG 4.43Å
93L94Very high96Very high24 Ų2445 Ų4513%0.12627%0.268CS..  trans-147.1131.5174.1-175.365.2000108.7I91 I95 L96 L113 L116I91-L93 HydrophobicContact CG2-CB 3.89Å; L93-I95 HydrophobicContact CD2-CD1 3.98Å; L93-I95 HydrophobicContact CD2-CG1 3.68Å; L93-I95 HydrophobicContact CG-CG1 3.94Å; L93-I95 PolarHBondContact O-N 3.2Å; L93-L96 HydrophobicContact CB-CD1 4.34Å; L93-L96 HydrophobicContact CB-CG 4.42Å; L93-L96 HydrophobicContact CD2-CG 4.47Å; L93-L96 PolarHBondContact O-N 3.29Å; L93-L96 VanDerWaalsContact O-N 3.09Å; L93-L113 HydrophobicContact CD2-CD2 3.95Å; L93-L116 HydrophobicContact CB-CD2 4.42Å; L93-L116 HydrophobicContact CD1-CD1 4.37Å; L93-L116 HydrophobicContact CD1-CD2 4.35Å
94D91.9Very high95.9Very high79 Ų7946.8 Ų46.842%0.42228%0.277SS..G310 helixtrans-59-40.3-17464.9-25.1000113.6L96 K97 D98 Q99D94-L96 PolarHBondContact O-N 3.47Å; D94-K97 CarbonylContact O-C 3.55Å; D94-K97 WeakPolarHBondContact O-CA 3.47Å; D94-K97 PolarHBondContact O-N 3.38Å; D94-D98 PolarHBondContact O-N 2.81Å; D94-Q99 HydrophobicContact CB-CB 4.01Å; D94-Q99 HydrophobicContact CB-CG 3.74Å; D94-Q99 PolarHBondContact O-N 3.4Å
95I94.4Very high95.9Very high15 Ų1547.5 Ų47.58%0.07728%0.281CS..G310 helixtrans-66.7-18.5178.374171.4000112.9L93 K97 W100 M104 V109 S112L93-I95 HydrophobicContact CD2-CD1 3.98Å; L93-I95 HydrophobicContact CD2-CG1 3.68Å; L93-I95 HydrophobicContact CG-CG1 3.94Å; L93-I95 PolarHBondContact O-N 3.2Å; I95-K97 VanDerWaalsContact C-N 3.3Å; I95-W100 WeakPolarHBondContact O-CB 3.39Å; I95-M104 HydrophobicContact CB-CE 4.02Å; I95-M104 HydrophobicContact CB-SD 3.85Å; I95-M104 HydrophobicContact CG2-CE 3.66Å; I95-M104 HydrophobicContact CG2-SD 4.16Å; I95-V109 HydrophobicContact CD1-CG2 4.4Å; I95-S112 VanDerWaalsContact CD1-CB 3.43Å; I95-S112 WeakPolarHBondContact CD1-OG 3.34Å
96L94.6Very high95.9Very high26 Ų2647 Ų4714%0.13628%0.277CS..G310 helixtrans-91.42.4173.9-60.4-179.6000112.1V73 I91 L93 D94 V109 L113V73-L96 HydrophobicContact CB-CD1 4.08Å; V73-L96 HydrophobicContact CG2-CD1 4.39Å; V73-L96 HydrophobicContact CG2-CD2 4.01Å; I91-L96 HydrophobicContact CB-CD1 4.29Å; I91-L96 HydrophobicContact CD1-CD1 4.3Å; I91-L96 HydrophobicContact CG2-CD1 4.12Å; L93-L96 HydrophobicContact CB-CD1 4.34Å; L93-L96 HydrophobicContact CB-CG 4.42Å; L93-L96 HydrophobicContact CD2-CG 4.47Å; L93-L96 PolarHBondContact O-N 3.29Å; L93-L96 VanDerWaalsContact O-N 3.09Å; D94-L96 PolarHBondContact O-N 3.47Å; L96-V109 HydrophobicContact CD2-CG1 4.07Å; L96-L113 HydrophobicContact CD1-CD2 4.42Å
97K92Very high96Very high104 Ų10449.7 Ų49.745%0.45229%0.286SS..THydrogen-bonded Turntrans-125.9-108.5-178.5-62.7176.8-178.7176.30109.9C92 D94 I95C92-K97 PolarHBondContact SG-NZ 3.21Å; D94-K97 CarbonylContact O-C 3.55Å; D94-K97 WeakPolarHBondContact O-CA 3.47Å; D94-K97 PolarHBondContact O-N 3.38Å; I95-K97 VanDerWaalsContact C-N 3.3Å
98D92.3Very high96.1Very high119 Ų11947 Ų4764%0.63627%0.27SS*.THydrogen-bonded Turntrans-92.1-20.7-169.860.2-62.4000113.8D94 W100D94-D98 PolarHBondContact O-N 2.81Å; D98-W100 VanDerWaalsContact C-N 3.29Å; D98-W100 PolarHBondContact O-N 2.86Å
99Q95.4Very high96.2Very high108 Ų10843.8 Ų43.851%0.50525%0.25SS..SBendtrans-91.413.2177.8-59.2-58.4-45.500113.1D94 A101 M104D94-Q99 HydrophobicContact CB-CB 4.01Å; D94-Q99 HydrophobicContact CB-CG 3.74Å; D94-Q99 PolarHBondContact O-N 3.4Å; Q99-A101 PolarHBondContact O-N 3.2Å; Q99-M104 VanDerWaalsContact O-CE 3.3Å; Q99-M104 WeakPolarHBondContact O-CE 3.35Å
100W97.8Very high96.2Very high30 Ų3043.6 Ų43.611%0.11425%0.248CC..  trans-64.9122.7175.4175.7-104.7000111.1Y66 P67 P70 I95 D98 M104 V109Y66-W100 HydrophobicContact CD2-CZ2 4.38Å; Y66-W100 AromaticContact CE2-CH2 3.88Å; Y66-W100 HydrophobicContact CE2-CH2 3.88Å; Y66-W100 AromaticContact CE2-CZ2 3.6Å; Y66-W100 HydrophobicContact CE2-CZ2 3.6Å; P67-W100 PolarHBondContact O-NE1 2.92Å; P70-W100 HydrophobicContact CB-CB 3.99Å; P70-W100 HydrophobicContact CB-CD2 3.55Å; P70-W100 HydrophobicContact CB-CE3 3.63Å; P70-W100 HydrophobicContact CB-CG 3.71Å; P70-W100 HydrophobicContact CB-CZ3 4.31Å; P70-W100 HydrophobicContact CG-CB 4.02Å; P70-W100 HydrophobicContact CG-CD2 4.42Å; P70-W100 HydrophobicContact CG-CG 4.07Å; I95-W100 WeakPolarHBondContact O-CB 3.39Å; D98-W100 VanDerWaalsContact C-N 3.29Å; D98-W100 PolarHBondContact O-N 2.86Å; W100-M104 HydrophobicContact CD2-SD 4.42Å; W100-M104 HydrophobicContact CE3-CB 3.98Å; W100-M104 HydrophobicContact CE3-CG 4.46Å; W100-M104 HydrophobicContact CE3-SD 3.69Å; W100-M104 HydrophobicContact CH2-CB 3.72Å; W100-M104 HydrophobicContact CZ2-CB 4.38Å; W100-M104 HydrophobicContact CZ3-CB 3.49Å; W100-M104 VanDerWaalsContact CZ3-CB 3.49Å; W100-M104 HydrophobicContact CZ3-CG 4.38Å; W100-M104 HydrophobicContact CZ3-SD 4.05Å; W100-V109 HydrophobicContact CH2-CG2 4.47Å; W100-V109 HydrophobicContact CZ3-CG2 3.77Å
101A97.2Very high96.2Very high44 Ų4444 Ų4436%0.36425%0.246SC..  trans-106.2136.1169.700000110.1Q99 A103 M104Q99-A101 PolarHBondContact O-N 3.2Å; A101-A103 PolarHBondContact O-N 3.39Å; A101-M104 HydrophobicContact CB-CE 4.15Å; A101-M104 HydrophobicContact CB-CG 4.21Å; A101-M104 HydrophobicContact CB-SD 4.46Å; A101-M104 VanDerWaalsContact O-CB 3.32Å; A101-M104 WeakPolarHBondContact O-CB 3.38Å; A101-M104 WeakPolarHBondContact O-CG 3.46Å; A101-M104 PolarHBondContact O-N 3.22Å
102A96.1Very high96.2Very high44 Ų4445.2 Ų45.236%0.36426%0.256SS..THydrogen-bonded Turntrans-63.53173.500000113.5R8R8-A102 PolarHBondContact NH1-O 3.26Å; R8-A102 PolarHBondContact NH2-O 3.3Å
103A96.4Very high96.4Very high89 Ų8945 Ų4574%0.73625%0.254SS*.THydrogen-bonded Turntrans-91-16.516800000113.2A101A101-A103 PolarHBondContact O-N 3.39Å
104M97.9Very high96.6Very high42 Ų4245 Ų4521%0.20725%0.253CS..  trans-68.9148.7-179.7-66.5176.7179.500111.7R8 I95 Q99 W100 A101R8-M104 PolarHBondContact NH2-O 3.27Å; I95-M104 HydrophobicContact CB-CE 4.02Å; I95-M104 HydrophobicContact CB-SD 3.85Å; I95-M104 HydrophobicContact CG2-CE 3.66Å; I95-M104 HydrophobicContact CG2-SD 4.16Å; Q99-M104 VanDerWaalsContact O-CE 3.3Å; Q99-M104 WeakPolarHBondContact O-CE 3.35Å; W100-M104 HydrophobicContact CD2-SD 4.42Å; W100-M104 HydrophobicContact CE3-CB 3.98Å; W100-M104 HydrophobicContact CE3-CG 4.46Å; W100-M104 HydrophobicContact CE3-SD 3.69Å; W100-M104 HydrophobicContact CH2-CB 3.72Å; W100-M104 HydrophobicContact CZ2-CB 4.38Å; W100-M104 HydrophobicContact CZ3-CB 3.49Å; W100-M104 VanDerWaalsContact CZ3-CB 3.49Å; W100-M104 HydrophobicContact CZ3-CG 4.38Å; W100-M104 HydrophobicContact CZ3-SD 4.05Å; A101-M104 HydrophobicContact CB-CE 4.15Å; A101-M104 HydrophobicContact CB-CG 4.21Å; A101-M104 HydrophobicContact CB-SD 4.46Å; A101-M104 VanDerWaalsContact O-CB 3.32Å; A101-M104 WeakPolarHBondContact O-CB 3.38Å; A101-M104 WeakPolarHBondContact O-CG 3.46Å; A101-M104 PolarHBondContact O-N 3.22Å
105T98.1Very high96.9Very high14 Ų1444 Ų449%0.08626%0.256CS..  trans-123.6167.9-176.268.70000111.7E12 R107 T108 V109E12-T105 HydrophobicContact CG-CG2 3.95Å; E12-T105 WeakPolarHBondContact OE2-CA 3.47Å; T105-R107 PolarHBondContact O-N 3.36Å; T105-R107 PolarHBondContact OG1-N 3.34Å; T105-T108 PolarHBondContact N-OG1 3.13Å; T105-T108 PolarHBondContact O-N 3.09Å; T105-T108 VanDerWaalsContact O-N 3.14Å; T105-T108 PolarHBondContact O-OG1 2.65Å; T105-T108 PolarHBondContact OG1-N 2.79Å; T105-V109 WeakPolarHBondContact O-CG2 3.38Å; T105-V109 PolarHBondContact O-N 3.17Å
106L98.2Very high97.1Very high4 Ų444 Ų442%0.02126%0.256CS..Hα-helixtrans-50.3-41168.4-67.4175.8000111.7I9 E12 V16 L39 I60 I62 V109 L110I9-L106 HydrophobicContact CG2-CD1 4.46Å; E12-L106 HydrophobicContact CB-CB 4.3Å; E12-L106 HydrophobicContact CB-CD1 4.11Å; E12-L106 HydrophobicContact CB-CG 4.18Å; E12-L106 PolarHBondContact OE2-N 3.31Å; V16-L106 HydrophobicContact CG2-CB 4.14Å; L39-L106 HydrophobicContact CD1-CD1 3.59Å; L39-L106 HydrophobicContact CD1-CD2 3.97Å; L39-L106 HydrophobicContact CD1-CG 4.45Å; I60-L106 HydrophobicContact CG2-CD2 4.18Å; I62-L106 HydrophobicContact CD1-CD2 4.26Å; L106-V109 PolarHBondContact O-N 2.86Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 2.98Å
107R98.3Very high97.2Very high65 Ų6543 Ų4325%0.24525%0.251CS..Hα-helixtrans-60.8-51.4176.6179.2173.9171.2-85.7-0.9111.3V16 E21 I27 T105 V109 L110 L111V16-R107 HydrophobicContact CG2-CB 3.85Å; E21-R107 IonicContact OE1-CZ 2.86Å; E21-R107 IonicContact OE1-NE 2.73Å; E21-R107 IonicContact OE1-NH2 3.92Å; E21-R107 PolarHBondContact OE1-NH2 2.81Å; E21-R107 IonicContact OE2-CZ 2.7Å; E21-R107 IonicContact OE2-NE 2.69Å; E21-R107 PolarHBondContact OE2-NE 3.48Å; E21-R107 IonicContact OE2-NH2 3.97Å; E21-R107 PolarHBondContact OE2-NH2 2.88Å; I27-R107 HydrophobicContact CD1-CG 4.05Å; T105-R107 PolarHBondContact O-N 3.36Å; T105-R107 PolarHBondContact OG1-N 3.34Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 3.18Å; R107-L110 PolarHBondContact O-N 2.93Å; R107-L111 HydrophobicContact CG-CD1 3.97Å; R107-L111 WeakPolarHBondContact O-CG 3.42Å; R107-L111 PolarHBondContact O-N 3.33Å
108T98Very high97.5Very high47 Ų4741 Ų4129%0.28825%0.254SS..Hα-helixtrans-65.1-37.5-178.260.50000111.6T105 L111 S112T105-T108 PolarHBondContact N-OG1 3.13Å; T105-T108 PolarHBondContact O-N 3.09Å; T105-T108 VanDerWaalsContact O-N 3.14Å; T105-T108 PolarHBondContact O-OG1 2.65Å; T105-T108 PolarHBondContact OG1-N 2.79Å; T108-L111 PolarHBondContact O-N 2.89Å; T108-S112 WeakPolarHBondContact O-CB 3.32Å; T108-S112 PolarHBondContact O-N 2.67Å; T108-S112 PolarHBondContact O-OG 2.82Å
109V98.4Very high97.7Very high3 Ų338.7 Ų38.72%0.01825%0.251CS..Hα-helixtrans-61-47.4175.4171.20000111.4P71 V73 I95 L96 W100 T105 L106 R107 L111 S112 L113P71-V109 HydrophobicContact CG-CG2 4.41Å; V73-V109 HydrophobicContact CG2-CG1 4.17Å; I95-V109 HydrophobicContact CD1-CG2 4.4Å; L96-V109 HydrophobicContact CD2-CG1 4.07Å; W100-V109 HydrophobicContact CH2-CG2 4.47Å; W100-V109 HydrophobicContact CZ3-CG2 3.77Å; T105-V109 WeakPolarHBondContact O-CG2 3.38Å; T105-V109 PolarHBondContact O-N 3.17Å; L106-V109 PolarHBondContact O-N 2.86Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 3.18Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 3.13Å; V109-S112 PolarHBondContact O-N 2.81Å; V109-L113 HydrophobicContact CG1-CD1 4.23Å; V109-L113 WeakPolarHBondContact O-CG 3.49Å; V109-L113 PolarHBondContact O-N 2.79Å
110L98.6Very high97.7Very high1 Ų134.4 Ų34.41%0.00523%0.234CC..Hα-helixtrans-61.6-41.6178.4-68.5170.8000111.9V16 I27 I43 L58 I60 L106 R107 L113 Q114V16-L110 HydrophobicContact CG1-CD1 4.36Å; I27-L110 HydrophobicContact CB-CB 4.18Å; I27-L110 HydrophobicContact CB-CD1 4.2Å; I27-L110 HydrophobicContact CD1-CB 4.3Å; I27-L110 HydrophobicContact CD1-CD1 4.34Å; I27-L110 HydrophobicContact CG2-CB 3.97Å; I43-L110 HydrophobicContact CG2-CB 4.11Å; I43-L110 HydrophobicContact CG2-CD2 3.88Å; L58-L110 HydrophobicContact CD1-CD2 3.55Å; I60-L110 HydrophobicContact CD1-CD2 4.26Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 2.98Å; R107-L110 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 3.18Å; L110-Q114 PolarHBondContact O-N 3.14Å
111L98.2Very high97.6Very high43 Ų4337.6 Ų37.623%0.22525%0.25CC..Hα-helixtrans-68.4-38.5177.3-65.5174.1000112.6E21 I27 R107 T108 V109 L113 Q114 A115E21-L111 HydrophobicContact CB-CD2 4.37Å; E21-L111 HydrophobicContact CG-CD2 3.92Å; I27-L111 HydrophobicContact CD1-CD2 4.25Å; I27-L111 HydrophobicContact CD1-CG 4.34Å; I27-L111 HydrophobicContact CG2-CD2 3.95Å; R107-L111 HydrophobicContact CG-CD1 3.97Å; R107-L111 WeakPolarHBondContact O-CG 3.42Å; R107-L111 PolarHBondContact O-N 3.33Å; T108-L111 PolarHBondContact O-N 2.89Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 3.13Å; L111-L113 VanDerWaalsContact C-N 3.33Å; L111-L113 PolarHBondContact O-N 3.11Å; L111-Q114 PolarHBondContact O-N 2.8Å; L111-A115 WeakPolarHBondContact O-CB 3.18Å; L111-A115 PolarHBondContact O-N 2.86Å
112S98.3Very high97.5Very high42 Ų4236.3 Ų36.329%0.29424%0.238SC..Hα-helixtrans-64.6-36.9174.6-66.70000112.1I95 T108 V109 A115 L116I95-S112 VanDerWaalsContact CD1-CB 3.43Å; I95-S112 WeakPolarHBondContact CD1-OG 3.34Å; T108-S112 WeakPolarHBondContact O-CB 3.32Å; T108-S112 PolarHBondContact O-N 2.67Å; T108-S112 PolarHBondContact O-OG 2.82Å; V109-S112 PolarHBondContact O-N 2.81Å; S112-A115 PolarHBondContact O-N 3.43Å; S112-L116 WeakPolarHBondContact O-CB 3.39Å; S112-L116 PolarHBondContact O-N 3.03Å
113L98.5Very high97.4Very high1 Ų140.1 Ų40.11%0.00525%0.252CS..Hα-helixtrans-66.4-39.3172.8-68.9171.9000111.9I43 L58 V73 F75 I91 L93 L96 V109 L110 L111 L116 L117I43-L113 HydrophobicContact CD1-CB 3.98Å; L58-L113 HydrophobicContact CD1-CD1 3.71Å; L58-L113 HydrophobicContact CD2-CD1 4.44Å; V73-L113 HydrophobicContact CG1-CD1 3.87Å; F75-L113 HydrophobicContact CE2-CD2 4.39Å; I91-L113 HydrophobicContact CD1-CD1 4.45Å; I91-L113 HydrophobicContact CD1-CD2 3.83Å; I91-L113 HydrophobicContact CG2-CD2 3.93Å; L93-L113 HydrophobicContact CD2-CD2 3.95Å; L96-L113 HydrophobicContact CD1-CD2 4.42Å; V109-L113 HydrophobicContact CG1-CD1 4.23Å; V109-L113 WeakPolarHBondContact O-CG 3.49Å; V109-L113 PolarHBondContact O-N 2.79Å; L110-L113 PolarHBondContact O-N 3.18Å; L111-L113 VanDerWaalsContact C-N 3.33Å; L111-L113 PolarHBondContact O-N 3.11Å; L113-L116 WeakPolarHBondContact O-CB 3.21Å; L113-L116 PolarHBondContact O-N 3.2Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 2.9Å
114Q98.1Very high97.3Very high26 Ų2640.5 Ų40.512%0.12124%0.242CC..Hα-helixtrans-63.7-41.7173.5-171.9176.449.300111.4A44 P46 L110 L111 L116 L117 A118A44-Q114 PolarHBondContact O-NE2 3.2Å; P46-Q114 HydrophobicContact CG-CG 3.78Å; P46-Q114 WeakPolarHBondContact CG-O 3.28Å; L110-Q114 PolarHBondContact O-N 3.14Å; L111-Q114 PolarHBondContact O-N 2.8Å; Q114-L116 PolarHBondContact O-N 2.88Å; Q114-L117 WeakPolarHBondContact O-CB 3.3Å; Q114-L117 PolarHBondContact O-N 2.87Å; Q114-A118 PolarHBondContact O-N 2.99Å
115A97.9Very high97.2Very high57 Ų5740.9 Ų40.947%0.47125%0.248SC..Hα-helixtrans-63.6-39.117500000112.3L111 S112 L117 A118 A119L111-A115 WeakPolarHBondContact O-CB 3.18Å; L111-A115 PolarHBondContact O-N 2.86Å; S112-A115 PolarHBondContact O-N 3.43Å; A115-L117 VanDerWaalsContact C-N 3.27Å; A115-L117 PolarHBondContact O-N 3.33Å; A115-A118 PolarHBondContact O-N 2.81Å; A115-A119 PolarHBondContact O-N 3.26Å
116L97.9Very high97.1Very high15 Ų1543.7 Ų43.78%0.07926%0.26CS..Hα-helixtrans-57.8-40.1174.8-178.963.8000111.6H81 N83 I91 L93 S112 L113 Q114 A118 A119 A120H81-L116 PolarHBondContact NE2-O 2.84Å; N83-L116 HydrophobicContact CB-CD1 4.03Å; N83-L116 HydrophobicContact CB-CD2 4.15Å; N83-L116 HydrophobicContact CB-CG 4.43Å; I91-L116 HydrophobicContact CG2-CD2 4.11Å; L93-L116 HydrophobicContact CB-CD2 4.42Å; L93-L116 HydrophobicContact CD1-CD1 4.37Å; L93-L116 HydrophobicContact CD1-CD2 4.35Å; S112-L116 WeakPolarHBondContact O-CB 3.39Å; S112-L116 PolarHBondContact O-N 3.03Å; L113-L116 WeakPolarHBondContact O-CB 3.21Å; L113-L116 PolarHBondContact O-N 3.2Å; Q114-L116 PolarHBondContact O-N 2.88Å; L116-A118 PolarHBondContact O-N 2.85Å; L116-A119 CarbonylContact O-C 3.4Å; L116-A119 PolarHBondContact O-N 3.21Å; L116-A120 PolarHBondContact O-N 2.93Å
117L98.3Very high97.1Very high5 Ų544.4 Ų44.43%0.02626%0.264CS..Hα-helixtrans-64.2-26.5176-62.4-170.9000113.5I43 P46 Y51 Y56 F75 I79 I84 L113 Q114 A115I43-L117 HydrophobicContact CD1-CD1 4Å; P46-L117 HydrophobicContact CG-CB 3.94Å; Y51-L117 HydrophobicContact CD2-CB 3.81Å; Y51-L117 WeakPolarHBondContact CD2-O 3.39Å; Y51-L117 HydrophobicContact CE2-CB 4.21Å; Y51-L117 HydrophobicContact CE2-CD2 4.45Å; Y51-L117 WeakPolarHBondContact CE2-O 3.49Å; Y51-L117 HydrophobicContact CG-CB 4.47Å; Y51-L117 HydrophobicContact CG-CD1 4.43Å; Y56-L117 HydrophobicContact CD2-CD1 4.14Å; Y56-L117 HydrophobicContact CE2-CD1 4.27Å; F75-L117 HydrophobicContact CZ-CD2 4.42Å; I79-L117 HydrophobicContact CD1-CD1 4.22Å; I79-L117 HydrophobicContact CD1-CD2 3.44Å; I79-L117 VanDerWaalsContact CD1-CD2 3.44Å; I79-L117 HydrophobicContact CD1-CG 4.49Å; I84-L117 HydrophobicContact CD1-CD2 3.78Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 2.9Å; Q114-L117 WeakPolarHBondContact O-CB 3.3Å; Q114-L117 PolarHBondContact O-N 2.87Å; A115-L117 VanDerWaalsContact C-N 3.27Å; A115-L117 PolarHBondContact O-N 3.33Å
118A97.1Very high97.1Very high63 Ų6344.9 Ų44.952%0.52128%0.281SS..Hα-helixtrans-85.9-26.4176.400000112.8P46 T49 Q114 A115 L116P46-A118 HydrophobicContact CB-CB 4.21Å; P46-A118 HydrophobicContact CG-CB 4.11Å; T49-A118 HydrophobicContact CG2-CB 4.08Å; Q114-A118 PolarHBondContact O-N 2.99Å; A115-A118 PolarHBondContact O-N 2.81Å; L116-A118 PolarHBondContact O-N 2.85Å
119A96.3Very high97.1Very high69 Ų6945.8 Ų45.857%0.5729%0.287SS*.SBendtrans-137.185-176.200000110.4A115 L116A115-A119 PolarHBondContact O-N 3.26Å; L116-A119 CarbonylContact O-C 3.4Å; L116-A119 PolarHBondContact O-N 3.21Å
120A96.8Very high97Very high18 Ų1845.7 Ų45.715%0.14929%0.286CS..  trans-68.6147.2174.500000111.4P82 L116 P122 Y134P82-A120 HydrophobicContact CB-CB 4.44Å; P82-A120 HydrophobicContact CG-CB 3.92Å; L116-A120 PolarHBondContact O-N 2.93Å; A120-P122 WeakPolarHBondContact O-CD 3.43Å; A120-Y134 HydrophobicContact CB-CE2 4.17Å
121E95.1Very high97Very high97 Ų9745.7 Ų45.745%0.45329%0.286SS..  trans-113.185.5174.4-178.347.2-94.900109.6N83 D123 D124N83-E121 PolarHBondContact ND2-O 2.86Å; N83-E121 PolarHBondContact OD1-N 3.08Å; E121-D123 PolarHBondContact O-N 3.34Å; E121-D123 PolarHBondContact OE1-N 3.47Å; E121-D124 HydrophobicContact CG-CB 4.44Å; E121-D124 PolarHBondContact O-N 3.3Å
122P94.5Very high97Very high17 Ų1747.2 Ų47.211%0.1130%0.295CS..THydrogen-bonded Turntrans-76.6-7.5-17036.9-40.9000113.1P82 A120 Y134 K135P82-P122 HydrophobicContact CB-CB 4.29Å; A120-P122 WeakPolarHBondContact O-CD 3.43Å; P122-Y134 HydrophobicContact CB-CD1 3.75Å; P122-Y134 HydrophobicContact CB-CE1 4.23Å; P122-Y134 HydrophobicContact CB-CG 4.44Å; P122-Y134 HydrophobicContact CG-CD1 3.81Å; P122-Y134 HydrophobicContact CG-CE1 3.85Å; P122-K135 HydrophobicContact CB-CD 4.41Å; P122-K135 HydrophobicContact CB-CG 4.09Å; P122-K135 HydrophobicContact CG-CG 4.28Å; P122-K135 WeakPolarHBondContact O-CE 3.29Å; P122-K135 PolarHBondContact O-NZ 3.38Å
123D94.2Very high97Very high125 Ų12545.8 Ų45.867%0.66828%0.283SS*.THydrogen-bonded Turntrans-85.8-17.7176.6-66.4-29.2000113.5E121 P125 K135E121-D123 PolarHBondContact O-N 3.34Å; E121-D123 PolarHBondContact OE1-N 3.47Å; D123-P125 WeakPolarHBondContact O-CD 3.42Å; D123-K135 IonicContact OD1-NZ 3.93Å; D123-K135 PolarHBondContact OD1-NZ 2.89Å
124D93.8Very high97Very high97 Ų9749.6 Ų49.652%0.51930%0.298SS..SBendtrans-119.167.4165.4-174.331.1000111.7N83 C92 E121N83-D124 PolarHBondContact ND2-O 3.02Å; C92-D124 PolarHBondContact SG-OD2 3.48Å; C92-D124 VanDerWaalsContact SG-OD2 3.35Å; E121-D124 HydrophobicContact CG-CB 4.44Å; E121-D124 PolarHBondContact O-N 3.3Å
125P96.1Very high96.9Very high50 Ų5053.3 Ų53.333%0.32531%0.314SS..  trans-80.7149.7-169.134.4-37.2000113.1D123 A131D123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-A131 HydrophobicContact CB-CB 3.41Å; P125-A131 VanDerWaalsContact CB-CB 3.41Å; P125-A131 HydrophobicContact CG-CB 4.06Å
126Q97.5Very high96.9Very high73 Ų7357.4 Ų57.434%0.34132%0.323SS..SBendtrans-87.5-29.4165.7-173.152.36800112P82 N83 A90 C92P82-Q126 PolarHBondContact O-N 3.37Å; N83-Q126 VanDerWaalsContact O-CB 3.28Å; N83-Q126 WeakPolarHBondContact O-CB 3.49Å; A90-Q126 WeakPolarHBondContact O-CG 3.36Å; C92-Q126 HydrophobicContact CB-CB 3.77Å; C92-Q126 HydrophobicContact CB-CG 4.43Å
127D97.7Very high96.9Very high19 Ų1959.9 Ų59.910%0.10234%0.337CS..  trans-128.2105.5-179.5-164.8-44.4000109.9P82 S86 V129 V130 A131P82-D127 PolarHBondContact O-N 3.2Å; S86-D127 VanDerWaalsContact CB-OD2 3.29Å; S86-D127 WeakPolarHBondContact CB-OD2 3.37Å; S86-D127 PolarHBondContact N-OD2 3.23Å; S86-D127 PolarHBondContact OG-OD2 2.91Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.37Å; D127-V129 PolarHBondContact OD1-N 2.94Å; D127-V130 HydrophobicContact CB-CB 4.05Å; D127-V130 HydrophobicContact CB-CG2 3.79Å; D127-V130 PolarHBondContact O-N 2.92Å; D127-V130 PolarHBondContact OD1-N 3.01Å; D127-A131 WeakPolarHBondContact O-CB 3.45Å; D127-A131 PolarHBondContact O-N 2.89Å
128A97.5Very high96.9Very high74 Ų7463.7 Ų63.761%0.61236%0.362SS*.Hα-helixtrans-65.4-32.1-174.300000112.9N132A128-N132 VanDerWaalsContact O-CB 3.25Å; A128-N132 WeakPolarHBondContact O-CB 3.43Å; A128-N132 PolarHBondContact O-N 2.96Å
129V97.4Very high96.9Very high67 Ų6765.5 Ų65.541%0.40636%0.359SS..Hα-helixtrans-69.5-47.1179.2175.60000109.6W80 D127 N132 Q133W80-V129 HydrophobicContact CH2-CG1 4.36Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.37Å; D127-V129 PolarHBondContact OD1-N 2.94Å; V129-N132 PolarHBondContact O-N 2.73Å; V129-Q133 PolarHBondContact O-N 3.22Å
130V98.3Very high96.9Very high0 Ų063.7 Ų63.70%034%0.34CS..Hα-helixtrans-63-45.4177.9-175.20000110.7W80 H81 P82 D127 N132 Q133 Y134 F141W80-V130 HydrophobicContact CD2-CG1 4.2Å; W80-V130 HydrophobicContact CD2-CG2 3.69Å; W80-V130 HydrophobicContact CE3-CG2 3.74Å; W80-V130 HydrophobicContact CG-CG1 4.14Å; W80-V130 HydrophobicContact CG-CG2 4.39Å; W80-V130 HydrophobicContact CH2-CG2 3.76Å; W80-V130 HydrophobicContact CZ2-CB 4.4Å; W80-V130 HydrophobicContact CZ2-CG2 3.72Å; W80-V130 HydrophobicContact CZ3-CG2 3.77Å; H81-V130 VanDerWaalsContact C-CG1 3.43Å; P82-V130 HydrophobicContact CG-CG1 4.31Å; D127-V130 HydrophobicContact CB-CB 4.05Å; D127-V130 HydrophobicContact CB-CG2 3.79Å; D127-V130 PolarHBondContact O-N 2.92Å; D127-V130 PolarHBondContact OD1-N 3.01Å; V130-N132 PolarHBondContact O-N 3.49Å; V130-Q133 PolarHBondContact O-N 2.91Å; V130-Y134 WeakPolarHBondContact O-CB 3.39Å; V130-Y134 PolarHBondContact O-N 3.03Å; V130-F141 HydrophobicContact CG1-CD2 4.09Å; V130-F141 HydrophobicContact CG1-CE2 3.69Å
131A98.1Very high97Very high2 Ų263.4 Ų63.42%0.01734%0.335CS..Hα-helixtrans-64-39.1178.600000112.5P82 P125 D127 Y134 K135P82-A131 HydrophobicContact CB-CB 4.03Å; P125-A131 HydrophobicContact CB-CB 3.41Å; P125-A131 VanDerWaalsContact CB-CB 3.41Å; P125-A131 HydrophobicContact CG-CB 4.06Å; D127-A131 WeakPolarHBondContact O-CB 3.45Å; D127-A131 PolarHBondContact O-N 2.89Å; A131-Y134 WeakPolarHBondContact O-CB 3.37Å; A131-Y134 PolarHBondContact O-N 3.14Å; A131-K135 WeakPolarHBondContact O-CG 3.46Å; A131-K135 PolarHBondContact O-N 3.32Å
132N98Very high97.1Very high75 Ų7562.6 Ų62.640%0.40133%0.33SS..Hα-helixtrans-63.8-44.7174.8-17467000111.5A128 V129 V130 Y134 K135 Q136A128-N132 VanDerWaalsContact O-CB 3.25Å; A128-N132 WeakPolarHBondContact O-CB 3.43Å; A128-N132 PolarHBondContact O-N 2.96Å; V129-N132 PolarHBondContact O-N 2.73Å; V130-N132 PolarHBondContact O-N 3.49Å; N132-Y134 VanDerWaalsContact C-N 3.33Å; N132-Y134 PolarHBondContact O-N 2.87Å; N132-K135 PolarHBondContact O-N 3.19Å; N132-Q136 VanDerWaalsContact ND2-CD 3.34Å; N132-Q136 PolarHBondContact ND2-OE1 2.62Å; N132-Q136 WeakPolarHBondContact O-CB 3.38Å; N132-Q136 WeakPolarHBondContact O-CG 3.33Å; N132-Q136 PolarHBondContact O-N 3.45Å; N132-Q136 PolarHBondContact OD1-NE2 3.15Å
133Q98.1Very high97.3Very high12 Ų1263.8 Ų63.86%0.05633%0.334CS..Hα-helixtrans-61.6-42.1174.8-172.6-177.576.900111.5V129 V130 K135 N137 M140 F141 S184V129-Q133 PolarHBondContact O-N 3.22Å; V130-Q133 PolarHBondContact O-N 2.91Å; Q133-K135 VanDerWaalsContact C-N 3.34Å; Q133-K135 PolarHBondContact O-N 3.39Å; Q133-N137 CarbonylContact O-C 3.54Å; Q133-N137 WeakPolarHBondContact O-CA 3.22Å; Q133-N137 PolarHBondContact O-N 3.37Å; Q133-N137 VanDerWaalsContact O-O 3.09Å; Q133-M140 HydrophobicContact CG-CG 4.28Å; Q133-M140 HydrophobicContact CG-SD 4.27Å; Q133-F141 HydrophobicContact CG-CB 4.19Å; Q133-S184 PolarHBondContact NE2-O 3.18Å
134Y97.9Very high97.5Very high81 Ų8157.9 Ų57.932%0.31830%0.302SS..Hα-helixtrans-56.2-46.6176.3-174.9-86.2000112P82 A120 P122 V130 A131 N132 F141P82-Y134 HydrophobicContact CG-CD2 3.77Å; P82-Y134 HydrophobicContact CG-CE2 4.48Å; P82-Y134 HydrophobicContact CG-CG 3.83Å; A120-Y134 HydrophobicContact CB-CE2 4.17Å; P122-Y134 HydrophobicContact CB-CD1 3.75Å; P122-Y134 HydrophobicContact CB-CE1 4.23Å; P122-Y134 HydrophobicContact CB-CG 4.44Å; P122-Y134 HydrophobicContact CG-CD1 3.81Å; P122-Y134 HydrophobicContact CG-CE1 3.85Å; V130-Y134 WeakPolarHBondContact O-CB 3.39Å; V130-Y134 PolarHBondContact O-N 3.03Å; A131-Y134 WeakPolarHBondContact O-CB 3.37Å; A131-Y134 PolarHBondContact O-N 3.14Å; N132-Y134 VanDerWaalsContact C-N 3.33Å; N132-Y134 PolarHBondContact O-N 2.87Å; Y134-F141 AromaticContact CD2-CD1 3.42Å; Y134-F141 HydrophobicContact CD2-CD1 3.42Å; Y134-F141 VanDerWaalsContact CD2-CD1 3.42Å; Y134-F141 AromaticContact CD2-CD2 3.97Å; Y134-F141 HydrophobicContact CD2-CD2 3.97Å; Y134-F141 AromaticContact CD2-CE1 3.36Å; Y134-F141 HydrophobicContact CD2-CE1 3.36Å; Y134-F141 AromaticContact CD2-CE2 3.9Å; Y134-F141 HydrophobicContact CD2-CE2 3.9Å; Y134-F141 AromaticContact CD2-CG 3.73Å; Y134-F141 HydrophobicContact CD2-CG 3.73Å; Y134-F141 AromaticContact CD2-CZ 3.59Å; Y134-F141 HydrophobicContact CD2-CZ 3.59Å; Y134-F141 AromaticContact CE2-CD1 3.91Å; Y134-F141 HydrophobicContact CE2-CD1 3.91Å; Y134-F141 AromaticContact CE2-CE1 3.6Å; Y134-F141 HydrophobicContact CE2-CE1 3.6Å; Y134-F141 HydrophobicContact CE2-CZ 4.08Å; Y134-F141 HydrophobicContact CG-CD1 4.43Å; Y134-F141 HydrophobicContact CG-CG 4.4Å
135K97.6Very high97.7Very high103 Ų10353.2 Ų53.245%0.44828%0.278SS..Hα-helixtrans-74.8-43.5-178.7-66.8-173.1-124.4-155.10113P122 D123 A131 N132 Q133P122-K135 HydrophobicContact CB-CD 4.41Å; P122-K135 HydrophobicContact CB-CG 4.09Å; P122-K135 HydrophobicContact CG-CG 4.28Å; P122-K135 WeakPolarHBondContact O-CE 3.29Å; P122-K135 PolarHBondContact O-NZ 3.38Å; D123-K135 IonicContact OD1-NZ 3.93Å; D123-K135 PolarHBondContact OD1-NZ 2.89Å; A131-K135 WeakPolarHBondContact O-CG 3.46Å; A131-K135 PolarHBondContact O-N 3.32Å; N132-K135 PolarHBondContact O-N 3.19Å; Q133-K135 VanDerWaalsContact C-N 3.34Å; Q133-K135 PolarHBondContact O-N 3.39Å
136Q97.5Very high97.8Very high144 Ų14455.2 Ų55.267%0.67328%0.279SS*.Hα-helixtrans-84.8-32.3-172.3-66.4-173.6-1200113.3N132N132-Q136 VanDerWaalsContact ND2-CD 3.34Å; N132-Q136 PolarHBondContact ND2-OE1 2.62Å; N132-Q136 WeakPolarHBondContact O-CB 3.38Å; N132-Q136 WeakPolarHBondContact O-CG 3.33Å; N132-Q136 PolarHBondContact O-N 3.45Å; N132-Q136 PolarHBondContact OD1-NE2 3.15Å
137N97.6Very high97.9Very high66 Ų6651.8 Ų51.835%0.35326%0.263SS..  trans-144.779-178.1-165.3-24.2000111.6Q133 E139 M140 F141Q133-N137 CarbonylContact O-C 3.54Å; Q133-N137 WeakPolarHBondContact O-CA 3.22Å; Q133-N137 PolarHBondContact O-N 3.37Å; Q133-N137 VanDerWaalsContact O-O 3.09Å; N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.1Å; N137-M140 HydrophobicContact CB-CB 3.95Å; N137-M140 PolarHBondContact O-N 3.06Å; N137-M140 WeakPolarHBondContact OD1-CB 3.23Å; N137-M140 PolarHBondContact OD1-N 2.86Å; N137-M140 VanDerWaalsContact OD1-N 3.08Å; N137-F141 PolarHBondContact O-N 3.28Å
138P97.1Very high97.9Very high86 Ų8650.9 Ų50.956%0.55826%0.258SS*.Hα-helixtrans-57.4-35.5-176.8-26.434.2000114.2F141 K142P138-F141 PolarHBondContact O-N 2.98Å; P138-K142 WeakPolarHBondContact O-CB 3.18Å; P138-K142 PolarHBondContact O-N 3.02Å
139E97.4Very high97.9Very high100 Ų10047.3 Ų47.347%0.46723%0.229SC..Hα-helixtrans-70.9-43.8179.4-174.456-148.700111.3N137 F141 K142 Q143N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.1Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 3.3Å; E139-K142 PolarHBondContact O-N 3.13Å; E139-Q143 WeakPolarHBondContact O-CG 3.32Å; E139-Q143 PolarHBondContact O-N 3.46Å; E139-Q143 PolarHBondContact OE1-NE2 2.92Å
140M97.8Very high98Very high32 Ų3247.7 Ų47.716%0.15823%0.226CC..Hα-helixtrans-60.8-42.5173.5-178.7-177.7-74.200111.4Q133 N137 K142 Q143 T144 S187Q133-M140 HydrophobicContact CG-CG 4.28Å; Q133-M140 HydrophobicContact CG-SD 4.27Å; N137-M140 HydrophobicContact CB-CB 3.95Å; N137-M140 PolarHBondContact O-N 3.06Å; N137-M140 WeakPolarHBondContact OD1-CB 3.23Å; N137-M140 PolarHBondContact OD1-N 2.86Å; N137-M140 VanDerWaalsContact OD1-N 3.08Å; M140-K142 PolarHBondContact O-N 3.28Å; M140-Q143 PolarHBondContact O-N 3.02Å; M140-T144 VanDerWaalsContact O-CB 3.3Å; M140-T144 WeakPolarHBondContact O-CB 3.32Å; M140-T144 PolarHBondContact O-N 3.36Å; M140-T144 PolarHBondContact O-OG1 3.06Å; M140-S187 WeakPolarHBondContact CE-O 3.32Å
141F98.4Very high97.9Very high12 Ų1249.9 Ų49.95%0.05324%0.239CC..Hα-helixtrans-57.2-49.9173.6167.5-94.1000111.2P50 Y51 W80 P82 V130 Q133 Y134 N137 P138 E139 Q143 T144 A145P50-F141 HydrophobicContact CG-CE1 4.46Å; Y51-F141 WeakPolarHBondContact OH-CZ 3.43Å; W80-F141 AromaticContact CD1-CD2 3.78Å; W80-F141 AromaticContact CD1-CE2 3.8Å; W80-F141 AromaticContact NE1-CD2 3.97Å; P82-F141 HydrophobicContact CG-CE2 4.34Å; V130-F141 HydrophobicContact CG1-CD2 4.09Å; V130-F141 HydrophobicContact CG1-CE2 3.69Å; Q133-F141 HydrophobicContact CG-CB 4.19Å; Y134-F141 AromaticContact CD2-CD1 3.42Å; Y134-F141 HydrophobicContact CD2-CD1 3.42Å; Y134-F141 VanDerWaalsContact CD2-CD1 3.42Å; Y134-F141 AromaticContact CD2-CD2 3.97Å; Y134-F141 HydrophobicContact CD2-CD2 3.97Å; Y134-F141 AromaticContact CD2-CE1 3.36Å; Y134-F141 HydrophobicContact CD2-CE1 3.36Å; Y134-F141 AromaticContact CD2-CE2 3.9Å; Y134-F141 HydrophobicContact CD2-CE2 3.9Å; Y134-F141 AromaticContact CD2-CG 3.73Å; Y134-F141 HydrophobicContact CD2-CG 3.73Å; Y134-F141 AromaticContact CD2-CZ 3.59Å; Y134-F141 HydrophobicContact CD2-CZ 3.59Å; Y134-F141 AromaticContact CE2-CD1 3.91Å; Y134-F141 HydrophobicContact CE2-CD1 3.91Å; Y134-F141 AromaticContact CE2-CE1 3.6Å; Y134-F141 HydrophobicContact CE2-CE1 3.6Å; Y134-F141 HydrophobicContact CE2-CZ 4.08Å; Y134-F141 HydrophobicContact CG-CD1 4.43Å; Y134-F141 HydrophobicContact CG-CG 4.4Å; N137-F141 PolarHBondContact O-N 3.28Å; P138-F141 PolarHBondContact O-N 2.98Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 3.3Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.36Å; F141-T144 PolarHBondContact O-N 3.44Å; F141-T144 VanDerWaalsContact O-N 3.17Å; F141-A145 HydrophobicContact CE1-CB 4.36Å; F141-A145 HydrophobicContact CE2-CB 4.44Å; F141-A145 HydrophobicContact CZ-CB 4.17Å; F141-A145 WeakPolarHBondContact O-CB 3.49Å; F141-A145 PolarHBondContact O-N 3.04Å
142K97.9Very high97.9Very high80 Ų8052 Ų5235%0.34825%0.247SC..Hα-helixtrans-58.1-44.5-179.5-178177.5-179.2176.70111.9P50 P138 E139 M140 R146P50-K142 HydrophobicContact CB-CG 4.4Å; P138-K142 WeakPolarHBondContact O-CB 3.18Å; P138-K142 PolarHBondContact O-N 3.02Å; E139-K142 PolarHBondContact O-N 3.13Å; M140-K142 PolarHBondContact O-N 3.28Å; K142-R146 VanDerWaalsContact CE-CZ 3.48Å; K142-R146 VanDerWaalsContact CE-NH2 3.35Å; K142-R146 WeakPolarHBondContact O-CB 3.23Å; K142-R146 VanDerWaalsContact O-CG 3.29Å; K142-R146 WeakPolarHBondContact O-CG 3.39Å; K142-R146 PolarHBondContact O-N 3.48Å
143Q97.9Very high97.9Very high42 Ų4248.9 Ų48.920%0.19623%0.232CC..Hα-helixtrans-68.9-38.2177.7-62.7-59.8-24.300112.2E139 M140 F141 R146 L147 Y162E139-Q143 WeakPolarHBondContact O-CG 3.32Å; E139-Q143 PolarHBondContact O-N 3.46Å; E139-Q143 PolarHBondContact OE1-NE2 2.92Å; M140-Q143 PolarHBondContact O-N 3.02Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.36Å; Q143-R146 PolarHBondContact O-N 3.5Å; Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 PolarHBondContact O-N 3.36Å; Q143-Y162 HydrophobicContact CB-CD2 4.32Å; Q143-Y162 HydrophobicContact CB-CE2 3.49Å; Q143-Y162 VanDerWaalsContact CB-CE2 3.49Å
144T98.3Very high97.9Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-65-47.8176.3-54.40000110.6W80 M140 F141 R146 L147 W148 S184 W188W80-T144 HydrophobicContact CD2-CG2 3.94Å; W80-T144 HydrophobicContact CG-CG2 3.88Å; W80-T144 HydrophobicContact CZ2-CG2 4.35Å; M140-T144 VanDerWaalsContact O-CB 3.3Å; M140-T144 WeakPolarHBondContact O-CB 3.32Å; M140-T144 PolarHBondContact O-N 3.36Å; M140-T144 PolarHBondContact O-OG1 3.06Å; F141-T144 PolarHBondContact O-N 3.44Å; F141-T144 VanDerWaalsContact O-N 3.17Å; T144-R146 PolarHBondContact O-N 2.89Å; T144-L147 WeakPolarHBondContact O-CB 3.27Å; T144-L147 PolarHBondContact O-N 3.25Å; T144-W148 PolarHBondContact O-N 3.46Å; T144-S184 WeakPolarHBondContact CG2-OG 3.19Å; T144-W188 HydrophobicContact CG2-CZ2 4.24Å; T144-W188 PolarHBondContact OG1-NE1 3.4Å
145A98.4Very high97.8Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-63.2-38.817700000112.6P50 Y51 W80 F141 W148 S149P50-A145 HydrophobicContact CB-CB 3.62Å; P50-A145 HydrophobicContact CG-CB 3.75Å; Y51-A145 HydrophobicContact CE1-CB 3.98Å; W80-A145 HydrophobicContact CB-CB 4.37Å; F141-A145 HydrophobicContact CE1-CB 4.36Å; F141-A145 HydrophobicContact CE2-CB 4.44Å; F141-A145 HydrophobicContact CZ-CB 4.17Å; F141-A145 WeakPolarHBondContact O-CB 3.49Å; F141-A145 PolarHBondContact O-N 3.04Å; A145-W148 PolarHBondContact O-N 3.23Å; A145-S149 WeakPolarHBondContact O-CB 3.44Å; A145-S149 PolarHBondContact O-N 3.49Å; A145-S149 PolarHBondContact O-OG 3.22Å
146R98.3Very high97.4Very high91 Ų9148 Ų4834%0.34326%0.259SS..Hα-helixtrans-62-43.8172.3-80.2175173.1-176.6-7.6112.5P50 K142 Q143 T144 S149 H150P50-R146 HydrophobicContact CB-CG 3.65Å; P50-R146 WeakPolarHBondContact O-CA 3.33Å; P50-R146 WeakPolarHBondContact O-CG 3.25Å; K142-R146 VanDerWaalsContact CE-CZ 3.48Å; K142-R146 VanDerWaalsContact CE-NH2 3.35Å; K142-R146 WeakPolarHBondContact O-CB 3.23Å; K142-R146 VanDerWaalsContact O-CG 3.29Å; K142-R146 WeakPolarHBondContact O-CG 3.39Å; K142-R146 PolarHBondContact O-N 3.48Å; Q143-R146 PolarHBondContact O-N 3.5Å; T144-R146 PolarHBondContact O-N 2.89Å; R146-S149 PolarHBondContact O-N 3.35Å; R146-H150 WeakPolarHBondContact O-CB 3.16Å; R146-H150 PolarHBondContact O-N 2.86Å
147L98.2Very high96.7Very high1 Ų145.5 Ų45.51%0.00526%0.257CS..Hα-helixtrans-61.8-47.2175.6173.679.8000111.8Q143 T144 S149 H150 V151 S158 Y162 I166 W188Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 PolarHBondContact O-N 3.36Å; T144-L147 WeakPolarHBondContact O-CB 3.27Å; T144-L147 PolarHBondContact O-N 3.25Å; L147-S149 PolarHBondContact O-N 2.99Å; L147-H150 WeakPolarHBondContact O-CB 3.27Å; L147-H150 PolarHBondContact O-N 3.01Å; L147-H150 VanDerWaalsContact O-N 3.16Å; L147-V151 HydrophobicContact CD1-CG2 4.06Å; L147-V151 HydrophobicContact CG-CG2 4.33Å; L147-V151 WeakPolarHBondContact O-CG2 3.35Å; L147-V151 PolarHBondContact O-N 3.3Å; L147-S158 VanDerWaalsContact CD1-OG 3.31Å; L147-S158 WeakPolarHBondContact CD1-OG 3.1Å; L147-Y162 HydrophobicContact CD2-CD2 4.28Å; L147-I166 HydrophobicContact CD1-CD1 4.06Å; L147-I166 HydrophobicContact CD2-CD1 3.75Å; L147-I166 HydrophobicContact CG-CD1 4.43Å; L147-W188 HydrophobicContact CD2-CH2 3.08Å; L147-W188 HydrophobicContact CD2-CZ2 3.35Å; L147-W188 HydrophobicContact CD2-CZ3 4.2Å
148W98.5Very high96.2Very high0 Ų043.4 Ų43.40%025%0.248CC..Hα-helixtrans-59.9-39.7176.8-82.158.8000111.2K78 I79 W80 T144 A145 V151 Y152 I180 V181 S184K78-W148 HydrophobicContact CB-CE3 4.1Å; K78-W148 HydrophobicContact CB-CZ3 3.92Å; I79-W148 VanDerWaalsContact C-CE3 3.48Å; W80-W148 HydrophobicContact CB-CB 4.04Å; W80-W148 HydrophobicContact CB-CD2 3.8Å; W80-W148 HydrophobicContact CB-CE3 4.19Å; W80-W148 HydrophobicContact CB-CG 3.73Å; W80-W148 HydrophobicContact CD2-CZ2 4.32Å; W80-W148 HydrophobicContact CE3-CD2 4.09Å; W80-W148 AromaticContact CE3-CE2 3.48Å; W80-W148 VanDerWaalsContact CE3-CE2 3.48Å; W80-W148 HydrophobicContact CE3-CE3 4.42Å; W80-W148 AromaticContact CE3-CH2 3.7Å; W80-W148 HydrophobicContact CE3-CH2 3.7Å; W80-W148 AromaticContact CE3-CZ2 3.29Å; W80-W148 HydrophobicContact CE3-CZ2 3.29Å; W80-W148 HydrophobicContact CE3-CZ3 4.24Å; W80-W148 AromaticContact CE3-NE1 3.93Å; W80-W148 HydrophobicContact CG-CD2 4.48Å; W80-W148 HydrophobicContact CG-CG 4.49Å; W80-W148 HydrophobicContact CZ3-CH2 4.01Å; W80-W148 AromaticContact CZ3-CZ2 3.56Å; W80-W148 HydrophobicContact CZ3-CZ2 3.56Å; T144-W148 PolarHBondContact O-N 3.46Å; A145-W148 PolarHBondContact O-N 3.23Å; W148-V151 PolarHBondContact O-N 3.35Å; W148-Y152 HydrophobicContact CB-CD2 4.09Å; W148-Y152 HydrophobicContact CB-CE2 4.46Å; W148-Y152 HydrophobicContact CD2-CD2 4.03Å; W148-Y152 AromaticContact CD2-CE2 3.7Å; W148-Y152 HydrophobicContact CD2-CE2 3.7Å; W148-Y152 AromaticContact CE3-CD2 3.76Å; W148-Y152 HydrophobicContact CE3-CD2 3.76Å; W148-Y152 AromaticContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CG-CD2 4.2Å; W148-Y152 HydrophobicContact CG-CE2 4.09Å; W148-Y152 HydrophobicContact CZ3-CE2 4.12Å; W148-Y152 WeakPolarHBondContact O-CB 3.47Å; W148-Y152 WeakPolarHBondContact O-CD2 3.38Å; W148-Y152 PolarHBondContact O-N 3.04Å; W148-I180 HydrophobicContact CZ2-CG2 4.12Å; W148-V181 HydrophobicContact CH2-CG2 3.96Å; W148-V181 HydrophobicContact CZ2-CG2 4.05Å; W148-S184 PolarHBondContact NE1-OG 2.86Å
149S98.4Very high95.8Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-65.3-38.5175.9-55.40000112.3P50 Y51 Y56 A145 R146 L147 A153 G154 A155P50-S149 PolarHBondContact O-OG 3.45Å; Y51-S149 WeakPolarHBondContact CD1-OG 3.5Å; Y56-S149 VanDerWaalsContact OH-CB 3.23Å; Y56-S149 WeakPolarHBondContact OH-CB 3.3Å; Y56-S149 PolarHBondContact OH-OG 2.69Å; A145-S149 WeakPolarHBondContact O-CB 3.44Å; A145-S149 PolarHBondContact O-N 3.49Å; A145-S149 PolarHBondContact O-OG 3.22Å; R146-S149 PolarHBondContact O-N 3.35Å; L147-S149 PolarHBondContact O-N 2.99Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-C 3.27Å; S149-A153 VanDerWaalsContact O-CA 3.27Å; S149-A153 WeakPolarHBondContact O-CA 3.4Å; S149-A153 VanDerWaalsContact O-CB 3.28Å; S149-A153 WeakPolarHBondContact O-CB 3.33Å; S149-A153 PolarHBondContact O-N 3Å; S149-G154 PolarHBondContact O-N 3.42Å; S149-A155 PolarHBondContact O-N 3.24Å
150H97.9Very high95.6Very high74 Ų7439.8 Ų39.834%0.34323%0.234SC..Hα-helixtrans-64.5-50.6173.8176.164.1000111.7R146 L147 A155 S158R146-H150 WeakPolarHBondContact O-CB 3.16Å; R146-H150 PolarHBondContact O-N 2.86Å; L147-H150 WeakPolarHBondContact O-CB 3.27Å; L147-H150 PolarHBondContact O-N 3.01Å; L147-H150 VanDerWaalsContact O-N 3.16Å; H150-A155 WeakPolarHBondContact CA-O 3.28Å; H150-A155 PolarHBondContact ND1-O 3.08Å; H150-S158 PolarHBondContact CD2-OG 2.86Å
151V97.4Very high95.5Very high47 Ų4743.3 Ų43.329%0.28525%0.25SC..Hα-helixtrans-72.3-41.6-173.71760000112.4L147 W148 I180L147-V151 HydrophobicContact CD1-CG2 4.06Å; L147-V151 HydrophobicContact CG-CG2 4.33Å; L147-V151 WeakPolarHBondContact O-CG2 3.35Å; L147-V151 PolarHBondContact O-N 3.3Å; W148-V151 PolarHBondContact O-N 3.35Å; V151-I180 HydrophobicContact CB-CD1 4.44Å; V151-I180 HydrophobicContact CG1-CD1 3.8Å; V151-I180 HydrophobicContact CG2-CD1 4.24Å
152Y98.2Very high95.4Very high45 Ų4543.6 Ų43.618%0.17625%0.251CS..Hα-helixtrans-105.9-25.4-170.1-58.2-61.1000114T77 K78 W148 N177 I180T77-Y152 VanDerWaalsContact CG2-O 3.32Å; T77-Y152 WeakPolarHBondContact CG2-O 3.47Å; K78-Y152 HydrophobicContact CB-CD1 4.03Å; K78-Y152 HydrophobicContact CB-CD2 3.69Å; K78-Y152 HydrophobicContact CB-CE1 4.36Å; K78-Y152 HydrophobicContact CB-CE2 4.05Å; K78-Y152 HydrophobicContact CB-CG 3.68Å; K78-Y152 HydrophobicContact CD-CD1 4.08Å; K78-Y152 HydrophobicContact CD-CE1 3.69Å; K78-Y152 HydrophobicContact CD-CE2 4.26Å; K78-Y152 WeakPolarHBondContact O-CB 3.46Å; W148-Y152 HydrophobicContact CB-CD2 4.09Å; W148-Y152 HydrophobicContact CB-CE2 4.46Å; W148-Y152 HydrophobicContact CD2-CD2 4.03Å; W148-Y152 AromaticContact CD2-CE2 3.7Å; W148-Y152 HydrophobicContact CD2-CE2 3.7Å; W148-Y152 AromaticContact CE3-CD2 3.76Å; W148-Y152 HydrophobicContact CE3-CD2 3.76Å; W148-Y152 AromaticContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CG-CD2 4.2Å; W148-Y152 HydrophobicContact CG-CE2 4.09Å; W148-Y152 HydrophobicContact CZ3-CE2 4.12Å; W148-Y152 WeakPolarHBondContact O-CB 3.47Å; W148-Y152 WeakPolarHBondContact O-CD2 3.38Å; W148-Y152 PolarHBondContact O-N 3.04Å; Y152-N177 WeakPolarHBondContact CE1-OD1 3.33Å; Y152-N177 PolarHBondContact OH-OD1 3.23Å; Y152-I180 HydrophobicContact CE2-CG2 4.2Å
153A98.1Very high95.2Very high11 Ų1142.1 Ų42.19%0.09125%0.248CC..Hα-helixtrans-115.7-1.2-173.300000113.9G54 R55 Y56 T77 S149G54-A153 CarbonylContact C-O 3.59Å; G54-A153 WeakPolarHBondContact CA-O 3.47Å; R55-A153 PolarHBondContact N-O 3.01Å; Y56-A153 HydrophobicContact CD1-CB 4.03Å; Y56-A153 HydrophobicContact CE1-CB 3.53Å; Y56-A153 HydrophobicContact CE2-CB 4.27Å; T77-A153 HydrophobicContact CG2-CB 3.95Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-C 3.27Å; S149-A153 VanDerWaalsContact O-CA 3.27Å; S149-A153 WeakPolarHBondContact O-CA 3.4Å; S149-A153 VanDerWaalsContact O-CB 3.28Å; S149-A153 WeakPolarHBondContact O-CB 3.33Å; S149-A153 PolarHBondContact O-N 3Å
154G97.1Very high95.2Very high60 Ų6049 Ų4962%0.61927%0.273SS*.  trans79.318.2175.900000115.5S149S149-G154 PolarHBondContact O-N 3.42Å
155A97Very high95.1Very high7 Ų751.4 Ų51.46%0.05828%0.283CS..  trans-64.5150.2175.900000111.7S149 H150 S157S149-A155 PolarHBondContact O-N 3.24Å; H150-A155 WeakPolarHBondContact CA-O 3.28Å; H150-A155 PolarHBondContact ND1-O 3.08Å; A155-S157 PolarHBondContact O-N 2.97Å
156P88.5Confident95.1Very high110 Ų11051.7 Ų51.771%0.71428%0.284SS*.SBendtrans-71-25.8-162.420.4-30.7000117.3
157S83Confident95Very high91 Ų9151.6 Ų51.664%0.63629%0.291SS*.  trans-163.1148.1177.660.50000114.1A155A155-S157 PolarHBondContact O-N 2.97Å
158S86.2Confident95Very high22 Ų2257.6 Ų57.615%0.15432%0.317CS..  trans-125.5174.5174.262.60000112.6L147 H150 P160L147-S158 VanDerWaalsContact CD1-OG 3.31Å; L147-S158 WeakPolarHBondContact CD1-OG 3.1Å; H150-S158 PolarHBondContact CD2-OG 2.86Å; S158-P160 WeakPolarHBondContact O-CD 3.28Å
159S89.4Confident94.9Very high22 Ų2257.6 Ų57.615%0.15432%0.317CS..  trans-57.2122.5177.4174.90000112.4E161 Y162 T163S159-E161 PolarHBondContact O-N 2.85Å; S159-E161 PolarHBondContact OG-N 3.08Å; S159-Y162 PolarHBondContact O-N 3.02Å; S159-T163 PolarHBondContact O-N 3.31Å; S159-T163 PolarHBondContact O-OG1 2.86Å
160P93.1Very high94.9Very high89 Ų8959.3 Ų59.358%0.57833%0.328SS*.Hα-helixtrans-61.9-27.3175.8-23.734000113.6S158 R164S158-P160 WeakPolarHBondContact O-CD 3.28Å; P160-R164 WeakPolarHBondContact O-CG 3.33Å; P160-R164 PolarHBondContact O-N 2.86Å; P160-R164 VanDerWaalsContact O-N 3.09Å
161E94.8Very high94.8Very high105 Ų10560 Ų6049%0.49135%0.347SS..Hα-helixtrans-64.2-44.6177-170.5-158.6139.600111S159 R164 K165S159-E161 PolarHBondContact O-N 2.85Å; S159-E161 PolarHBondContact OG-N 3.08Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-K165 PolarHBondContact O-N 2.55Å; E161-K165 VanDerWaalsContact O-N 3.13Å; E161-K165 WeakPolarHBondContact OE1-CE 3.42Å; E161-K165 IonicContact OE1-NZ 3.71Å; E161-K165 PolarHBondContact OE1-NZ 3.25Å
162Y96.2Very high94.7Very high18 Ų1862.9 Ų62.97%0.07136%0.359CS..Hα-helixtrans-68.5-40.2-178.8-71.25.7000110.8Q143 L147 S159 R164 K165 I166 W188Q143-Y162 HydrophobicContact CB-CD2 4.32Å; Q143-Y162 HydrophobicContact CB-CE2 3.49Å; Q143-Y162 VanDerWaalsContact CB-CE2 3.49Å; L147-Y162 HydrophobicContact CD2-CD2 4.28Å; S159-Y162 PolarHBondContact O-N 3.02Å; Y162-R164 VanDerWaalsContact C-N 3.33Å; Y162-R164 PolarHBondContact O-N 3.49Å; Y162-K165 PolarHBondContact O-N 2.7Å; Y162-I166 WeakPolarHBondContact O-CD1 3.39Å; Y162-I166 WeakPolarHBondContact O-CG1 3.49Å; Y162-I166 PolarHBondContact O-N 3.19Å; Y162-W188 VanDerWaalsContact CB-CZ3 3.47Å; Y162-W188 AromaticContact CD1-CD2 3.68Å; Y162-W188 HydrophobicContact CD1-CD2 3.68Å; Y162-W188 AromaticContact CD1-CE3 3.67Å; Y162-W188 HydrophobicContact CD1-CE3 3.67Å; Y162-W188 HydrophobicContact CD1-CG 4.12Å; Y162-W188 HydrophobicContact CD1-CZ3 4.21Å; Y162-W188 AromaticContact CD2-CD2 3.76Å; Y162-W188 HydrophobicContact CD2-CD2 3.76Å; Y162-W188 AromaticContact CD2-CE2 3.34Å; Y162-W188 HydrophobicContact CD2-CE3 4.09Å; Y162-W188 AromaticContact CD2-CH2 3.84Å; Y162-W188 HydrophobicContact CD2-CH2 3.84Å; Y162-W188 AromaticContact CD2-CZ2 3.39Å; Y162-W188 HydrophobicContact CD2-CZ2 3.39Å; Y162-W188 HydrophobicContact CD2-CZ3 4.12Å; Y162-W188 AromaticContact CD2-NE1 3.8Å; Y162-W188 HydrophobicContact CE1-CB 4.23Å; Y162-W188 AromaticContact CE1-CD2 3.76Å; Y162-W188 HydrophobicContact CE1-CD2 3.76Å; Y162-W188 HydrophobicContact CE1-CE3 4.21Å; Y162-W188 AromaticContact CE1-CG 3.73Å; Y162-W188 HydrophobicContact CE1-CG 3.73Å; Y162-W188 AromaticContact CE2-CD1 3.8Å; Y162-W188 AromaticContact CE2-CD2 3.82Å; Y162-W188 HydrophobicContact CE2-CD2 3.82Å; Y162-W188 AromaticContact CE2-CE2 3.35Å; Y162-W188 HydrophobicContact CE2-CG 4.12Å; Y162-W188 AromaticContact CE2-CZ2 3.84Å; Y162-W188 HydrophobicContact CE2-CZ2 3.84Å; Y162-W188 AromaticContact CE2-NE1 3.28Å; Y162-W188 VanDerWaalsContact CE2-NE1 3.28Å; Y162-W188 AromaticContact CG-CD2 3.68Å; Y162-W188 HydrophobicContact CG-CD2 3.68Å; Y162-W188 AromaticContact CG-CE2 3.76Å; Y162-W188 AromaticContact CG-CE3 3.6Å; Y162-W188 HydrophobicContact CG-CE3 3.6Å; Y162-W188 AromaticContact CG-CH2 3.87Å; Y162-W188 HydrophobicContact CG-CH2 3.87Å; Y162-W188 AromaticContact CG-CZ2 3.87Å; Y162-W188 HydrophobicContact CG-CZ2 3.87Å; Y162-W188 AromaticContact CG-CZ3 3.69Å; Y162-W188 HydrophobicContact CG-CZ3 3.69Å; Y162-W188 AromaticContact CZ-CD1 3.54Å; Y162-W188 AromaticContact CZ-CD2 3.82Å; Y162-W188 AromaticContact CZ-CE2 3.81Å; Y162-W188 AromaticContact CZ-CG 3.72Å; Y162-W188 AromaticContact CZ-NE1 3.55Å
163T95.1Very high94.7Very high49 Ų4964 Ų6430%0.30138%0.384SS..Hα-helixtrans-57.1-45.6173-540000111.4S159 K165 I166 D167S159-T163 PolarHBondContact O-N 3.31Å; S159-T163 PolarHBondContact O-OG1 2.86Å; T163-K165 PolarHBondContact O-N 3.02Å; T163-I166 WeakPolarHBondContact O-CB 3.45Å; T163-I166 PolarHBondContact O-N 2.7Å; T163-D167 PolarHBondContact O-N 3.32Å
164R96.8Very high94.6Very high187 Ų18765.6 Ų65.671%0.70639%0.389SS*.Hα-helixtrans-61-40.3176.6-71.5172.9-173.4178.22.6113.1P160 E161 Y162 D167 K168P160-R164 WeakPolarHBondContact O-CG 3.33Å; P160-R164 PolarHBondContact O-N 2.86Å; P160-R164 VanDerWaalsContact O-N 3.09Å; E161-R164 PolarHBondContact O-N 2.84Å; Y162-R164 VanDerWaalsContact C-N 3.33Å; Y162-R164 PolarHBondContact O-N 3.49Å; R164-D167 PolarHBondContact O-N 3.36Å; R164-K168 WeakPolarHBondContact O-CB 3.33Å; R164-K168 PolarHBondContact O-N 2.87Å
165K97.6Very high94.6Very high51 Ų5167.2 Ų67.222%0.22238%0.383CS..Hα-helixtrans-64.4-41.1176.5-72.5176.6174.8175.50111.4E161 Y162 T163 L169 L183 W188 V190E161-K165 PolarHBondContact O-N 2.55Å; E161-K165 VanDerWaalsContact O-N 3.13Å; E161-K165 WeakPolarHBondContact OE1-CE 3.42Å; E161-K165 IonicContact OE1-NZ 3.71Å; E161-K165 PolarHBondContact OE1-NZ 3.25Å; Y162-K165 PolarHBondContact O-N 2.7Å; T163-K165 PolarHBondContact O-N 3.02Å; K165-L169 PolarHBondContact O-N 2.93Å; K165-L183 HydrophobicContact CB-CD1 4.09Å; K165-W188 HydrophobicContact CB-CE3 4.4Å; K165-W188 HydrophobicContact CD-CB 4.4Å; K165-W188 HydrophobicContact CD-CE3 4.07Å; K165-W188 PolarHBondContact NZ-O 2.72Å; K165-V190 HydrophobicContact CB-CG2 4.49Å; K165-V190 HydrophobicContact CD-CG2 4.27Å; K165-V190 HydrophobicContact CG-CG2 4.09Å
166I97.4Very high94.5Very high5 Ų572 Ų723%0.02640%0.403CS..Hα-helixtrans-63-50.7175.2-68.4159.4000110.6L147 Y162 T163 K168 L169 C170 K176 V179 I180 L183 W188L147-I166 HydrophobicContact CD1-CD1 4.06Å; L147-I166 HydrophobicContact CD2-CD1 3.75Å; L147-I166 HydrophobicContact CG-CD1 4.43Å; Y162-I166 WeakPolarHBondContact O-CD1 3.39Å; Y162-I166 WeakPolarHBondContact O-CG1 3.49Å; Y162-I166 PolarHBondContact O-N 3.19Å; T163-I166 WeakPolarHBondContact O-CB 3.45Å; T163-I166 PolarHBondContact O-N 2.7Å; I166-K168 VanDerWaalsContact C-N 3.26Å; I166-K168 PolarHBondContact O-N 3.32Å; I166-L169 PolarHBondContact O-N 3.29Å; I166-L169 VanDerWaalsContact O-N 3.15Å; I166-C170 WeakPolarHBondContact O-CB 3.23Å; I166-C170 PolarHBondContact O-N 3.14Å; I166-C170 PolarHBondContact O-SG 3.43Å; I166-K176 HydrophobicContact CG2-CG 4.29Å; I166-V179 HydrophobicContact CB-CG1 4.25Å; I166-V179 HydrophobicContact CG1-CG1 4.25Å; I166-V179 HydrophobicContact CG2-CG1 4.04Å; I166-I180 HydrophobicContact CD1-CD1 4.41Å; I166-I180 HydrophobicContact CD1-CG1 3.74Å; I166-I180 HydrophobicContact CG1-CG1 4.02Å; I166-I180 HydrophobicContact CG2-CG1 4.32Å; I166-L183 HydrophobicContact CG1-CD1 3.82Å; I166-W188 HydrophobicContact CD1-CH2 4.03Å; I166-W188 HydrophobicContact CD1-CZ3 4.2Å; I166-W188 HydrophobicContact CG1-CH2 4.33Å; I166-W188 HydrophobicContact CG1-CZ3 4.11Å
167D96.9Very high94.9Very high89 Ų8969.9 Ų69.948%0.47639%0.385SS..Hα-helixtrans-60.2-38.5-178-66.4-22.5000111.3T163 R164 C170 A171T163-D167 PolarHBondContact O-N 3.32Å; R164-D167 PolarHBondContact O-N 3.36Å; D167-C170 PolarHBondContact O-N 3.24Å; D167-A171 VanDerWaalsContact O-CB 3.28Å; D167-A171 WeakPolarHBondContact O-CB 3.37Å; D167-A171 PolarHBondContact O-N 3.03Å
168K97.2Very high95.5Very high127 Ų12767.3 Ų67.355%0.55237%0.37SS*.Hα-helixtrans-58.1-48.6175-177.8-178.8176.5-174.80112.1R164 I166 A171 M172R164-K168 WeakPolarHBondContact O-CB 3.33Å; R164-K168 PolarHBondContact O-N 2.87Å; I166-K168 VanDerWaalsContact C-N 3.26Å; I166-K168 PolarHBondContact O-N 3.32Å; K168-A171 PolarHBondContact O-N 3.28Å; K168-M172 WeakPolarHBondContact O-CG 3.35Å; K168-M172 PolarHBondContact O-N 3.32Å
169L97Very high96Very high0 Ų066.3 Ų66.30%036%0.362CS..Hα-helixtrans-74.9-34.3-179.5-65.6-175.3000112.2K165 I166 A171 M172 F174 V179 L183 V190 A193 T194 L197K165-L169 PolarHBondContact O-N 2.93Å; I166-L169 PolarHBondContact O-N 3.29Å; I166-L169 VanDerWaalsContact O-N 3.15Å; L169-A171 VanDerWaalsContact C-N 3.3Å; L169-A171 PolarHBondContact O-N 2.93Å; L169-M172 HydrophobicContact CD2-SD 3.73Å; L169-M172 WeakPolarHBondContact O-CB 3.46Å; L169-M172 PolarHBondContact O-N 3.1Å; L169-M172 VanDerWaalsContact O-N 3.11Å; L169-F174 HydrophobicContact CB-CD2 4.37Å; L169-F174 WeakPolarHBondContact O-CD2 3.4Å; L169-V179 HydrophobicContact CB-CB 4.41Å; L169-V179 HydrophobicContact CB-CG1 3.73Å; L169-V179 HydrophobicContact CB-CG2 3.73Å; L169-V179 HydrophobicContact CD1-CG1 4.13Å; L169-V179 HydrophobicContact CG-CG1 4.48Å; L169-L183 HydrophobicContact CD1-CD1 4.01Å; L169-L183 HydrophobicContact CD1-CD2 3.9Å; L169-L183 HydrophobicContact CD1-CG 3.88Å; L169-V190 HydrophobicContact CD2-CG1 3.98Å; L169-V190 HydrophobicContact CG-CG1 4.49Å; L169-A193 HydrophobicContact CD1-CB 4.36Å; L169-T194 VanDerWaalsContact CD2-OG1 3.3Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.33Å; L169-L197 HydrophobicContact CD1-CD1 3.92Å
170C97.3Very high96.4Very high36 Ų3665.2 Ų65.224%0.24336%0.355CS..Hα-helixtrans-63.6-37.5173-65.10000111.4I166 D167 M172 G173I166-C170 WeakPolarHBondContact O-CB 3.23Å; I166-C170 PolarHBondContact O-N 3.14Å; I166-C170 PolarHBondContact O-SG 3.43Å; D167-C170 PolarHBondContact O-N 3.24Å; C170-M172 PolarHBondContact O-N 3.08Å; C170-G173 PolarHBondContact O-N 2.79Å
171A97.1Very high96.5Very high88 Ų8862.8 Ų62.873%0.72734%0.338SS*.Hα-helixtrans-65-19.6175.200000113.3D167 K168 L169D167-A171 VanDerWaalsContact O-CB 3.28Å; D167-A171 WeakPolarHBondContact O-CB 3.37Å; D167-A171 PolarHBondContact O-N 3.03Å; K168-A171 PolarHBondContact O-N 3.28Å; L169-A171 VanDerWaalsContact C-N 3.3Å; L169-A171 PolarHBondContact O-N 2.93Å
172M95.8Very high96.7Very high109 Ų10958 Ų5854%0.53732%0.316SS..THydrogen-bonded Turntrans-81.7-2171.8-62.5169.262.600112.9K168 L169 C170 F174 T194K168-M172 WeakPolarHBondContact O-CG 3.35Å; K168-M172 PolarHBondContact O-N 3.32Å; L169-M172 HydrophobicContact CD2-SD 3.73Å; L169-M172 WeakPolarHBondContact O-CB 3.46Å; L169-M172 PolarHBondContact O-N 3.1Å; L169-M172 VanDerWaalsContact O-N 3.11Å; C170-M172 PolarHBondContact O-N 3.08Å; M172-F174 HydrophobicContact CB-CD2 4.07Å; M172-F174 HydrophobicContact CB-CE2 4.07Å; M172-F174 HydrophobicContact CE-CE2 4.07Å; M172-T194 HydrophobicContact CE-CG2 4.17Å
173G96.3Very high96.7Very high68 Ų6857.1 Ų57.170%0.70131%0.313SS*.THydrogen-bonded Turntrans98.23.217600000115.2C170C170-G173 PolarHBondContact O-N 2.79Å
174F97.4Very high96.9Very high45 Ų4554.8 Ų54.820%0.19730%0.298CS..  trans-75.4146.2177-61.8-63000112.2L169 M172 V179 T194 L197 L198L169-F174 HydrophobicContact CB-CD2 4.37Å; L169-F174 WeakPolarHBondContact O-CD2 3.4Å; M172-F174 HydrophobicContact CB-CD2 4.07Å; M172-F174 HydrophobicContact CB-CE2 4.07Å; M172-F174 HydrophobicContact CE-CE2 4.07Å; F174-V179 HydrophobicContact CB-CG2 3.45Å; F174-V179 VanDerWaalsContact CB-CG2 3.45Å; F174-V179 HydrophobicContact CG-CG2 4.45Å; F174-T194 HydrophobicContact CE2-CG2 4.29Å; F174-T194 HydrophobicContact CZ-CG2 4.48Å; F174-L197 HydrophobicContact CB-CD1 4.3Å; F174-L197 HydrophobicContact CD1-CB 3.91Å; F174-L197 HydrophobicContact CD1-CD1 4.46Å; F174-L197 HydrophobicContact CD2-CB 4.47Å; F174-L197 HydrophobicContact CD2-CD1 3.88Å; F174-L197 HydrophobicContact CE1-CB 3.79Å; F174-L197 HydrophobicContact CE2-CB 4.37Å; F174-L197 HydrophobicContact CE2-CD1 4.3Å; F174-L197 HydrophobicContact CG-CB 4.26Å; F174-L197 HydrophobicContact CG-CD1 3.98Å; F174-L197 HydrophobicContact CZ-CB 4.03Å; F174-L198 HydrophobicContact CE1-CD2 4.13Å; F174-L198 HydrophobicContact CZ-CD2 3.78Å; F174-L198 HydrophobicContact CZ-CG 4.08Å
175D96.8Very high96.8Very high94 Ų9447.7 Ų47.750%0.50328%0.278SS..  trans-60.1136173.6170.6-100.7000111.4N177 A178 V179D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 PolarHBondContact O-N 2.8Å; D175-N177 WeakPolarHBondContact OD1-CA 3.41Å; D175-N177 VanDerWaalsContact OD1-CB 3.28Å; D175-N177 WeakPolarHBondContact OD1-CB 3.43Å; D175-N177 PolarHBondContact OD1-N 3.47Å; D175-A178 HydrophobicContact CB-CB 4.06Å; D175-A178 PolarHBondContact O-N 2.86Å; D175-A178 PolarHBondContact OD1-N 3.49Å; D175-V179 WeakPolarHBondContact O-CB 3.42Å; D175-V179 VanDerWaalsContact O-CG2 3.29Å; D175-V179 WeakPolarHBondContact O-CG2 3.37Å; D175-V179 PolarHBondContact O-N 3.4Å
176K95.9Very high96.8Very high108 Ų10849.4 Ų49.447%0.4729%0.285SS..Hα-helixtrans-60.9-38.9-175.3-176.7174.3-179.4176.10112.8I166 V179 I180I166-K176 HydrophobicContact CG2-CG 4.29Å; K176-V179 PolarHBondContact O-N 3.01Å; K176-I180 HydrophobicContact CG-CD1 4.02Å; K176-I180 VanDerWaalsContact O-CG1 3.27Å; K176-I180 WeakPolarHBondContact O-CG1 3.4Å; K176-I180 PolarHBondContact O-N 2.85Å
177N95Very high96.7Very high65 Ų6552.6 Ų52.635%0.34831%0.308SS..Hα-helixtrans-71-42.5179.7-61.7-41.5000110.6Y152 D175 V179 I180 V181Y152-N177 WeakPolarHBondContact CE1-OD1 3.33Å; Y152-N177 PolarHBondContact OH-OD1 3.23Å; D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 PolarHBondContact O-N 2.8Å; D175-N177 WeakPolarHBondContact OD1-CA 3.41Å; D175-N177 VanDerWaalsContact OD1-CB 3.28Å; D175-N177 WeakPolarHBondContact OD1-CB 3.43Å; D175-N177 PolarHBondContact OD1-N 3.47Å; N177-V179 VanDerWaalsContact C-N 3.31Å; N177-V179 PolarHBondContact O-N 2.98Å; N177-I180 PolarHBondContact O-N 2.96Å; N177-V181 WeakPolarHBondContact O-CG2 3.18Å; N177-V181 PolarHBondContact O-N 3.21Å
178A95.8Very high96.8Very high37 Ų3748.6 Ų48.631%0.30629%0.286SS..Hα-helixtrans-58.2-45174.200000111.1D175 V181 A182 L197D175-A178 HydrophobicContact CB-CB 4.06Å; D175-A178 PolarHBondContact O-N 2.86Å; D175-A178 PolarHBondContact OD1-N 3.49Å; A178-V181 PolarHBondContact O-N 2.87Å; A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 3.09Å; A178-L197 HydrophobicContact CB-CD2 3.79Å
179V97.8Very high96.8Very high0 Ų045.7 Ų45.70%028%0.276CS..Hα-helixtrans-58.7-49.2176.31660000111.8I166 L169 F174 D175 K176 N177 V181 A182 L183 L197I166-V179 HydrophobicContact CB-CG1 4.25Å; I166-V179 HydrophobicContact CG1-CG1 4.25Å; I166-V179 HydrophobicContact CG2-CG1 4.04Å; L169-V179 HydrophobicContact CB-CB 4.41Å; L169-V179 HydrophobicContact CB-CG1 3.73Å; L169-V179 HydrophobicContact CB-CG2 3.73Å; L169-V179 HydrophobicContact CD1-CG1 4.13Å; L169-V179 HydrophobicContact CG-CG1 4.48Å; F174-V179 HydrophobicContact CB-CG2 3.45Å; F174-V179 VanDerWaalsContact CB-CG2 3.45Å; F174-V179 HydrophobicContact CG-CG2 4.45Å; D175-V179 WeakPolarHBondContact O-CB 3.42Å; D175-V179 VanDerWaalsContact O-CG2 3.29Å; D175-V179 WeakPolarHBondContact O-CG2 3.37Å; D175-V179 PolarHBondContact O-N 3.4Å; K176-V179 PolarHBondContact O-N 3.01Å; N177-V179 VanDerWaalsContact C-N 3.31Å; N177-V179 PolarHBondContact O-N 2.98Å; V179-V181 VanDerWaalsContact C-N 3.33Å; V179-V181 PolarHBondContact O-N 3.4Å; V179-A182 PolarHBondContact O-N 3.35Å; V179-L183 HydrophobicContact CG1-CD1 3.71Å; V179-L183 HydrophobicContact CG1-CG 4.44Å; V179-L183 WeakPolarHBondContact O-CB 3.35Å; V179-L183 WeakPolarHBondContact O-CG 3.38Å; V179-L183 PolarHBondContact O-N 3Å; V179-L197 HydrophobicContact CG2-CD1 3.9Å
180I97.3Very high96.8Very high0 Ų047.1 Ų47.10%029%0.285CS..Hα-helixtrans-60.9-45.2179.9-70.8166000110.4W148 V151 Y152 I166 K176 N177 S184W148-I180 HydrophobicContact CZ2-CG2 4.12Å; V151-I180 HydrophobicContact CB-CD1 4.44Å; V151-I180 HydrophobicContact CG1-CD1 3.8Å; V151-I180 HydrophobicContact CG2-CD1 4.24Å; Y152-I180 HydrophobicContact CE2-CG2 4.2Å; I166-I180 HydrophobicContact CD1-CD1 4.41Å; I166-I180 HydrophobicContact CD1-CG1 3.74Å; I166-I180 HydrophobicContact CG1-CG1 4.02Å; I166-I180 HydrophobicContact CG2-CG1 4.32Å; K176-I180 HydrophobicContact CG-CD1 4.02Å; K176-I180 VanDerWaalsContact O-CG1 3.27Å; K176-I180 WeakPolarHBondContact O-CG1 3.4Å; K176-I180 PolarHBondContact O-N 2.85Å; N177-I180 PolarHBondContact O-N 2.96Å; I180-S184 WeakPolarHBondContact O-CB 3.4Å; I180-S184 PolarHBondContact O-N 3.44Å; I180-S184 PolarHBondContact O-OG 3.05Å
181V96.4Very high96.7Very high38 Ų3852.4 Ų52.423%0.2331%0.306CS..Hα-helixtrans-63-47178.5172.10000110.6W148 N177 A178 V179 S184 S185W148-V181 HydrophobicContact CH2-CG2 3.96Å; W148-V181 HydrophobicContact CZ2-CG2 4.05Å; N177-V181 WeakPolarHBondContact O-CG2 3.18Å; N177-V181 PolarHBondContact O-N 3.21Å; A178-V181 PolarHBondContact O-N 2.87Å; V179-V181 VanDerWaalsContact C-N 3.33Å; V179-V181 PolarHBondContact O-N 3.4Å; V181-S184 PolarHBondContact O-N 2.76Å; V181-S185 VanDerWaalsContact O-CB 3.25Å; V181-S185 WeakPolarHBondContact O-CB 3.48Å; V181-S185 PolarHBondContact O-N 3.28Å; V181-S185 PolarHBondContact O-OG 2.69Å
182A97Very high96.7Very high3 Ų350.7 Ų50.73%0.02529%0.287CS..Hα-helixtrans-61.7-51.1-179.200000111.8A178 V179 S184 S185 K186 A193 L196 L197A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 3.09Å; V179-A182 PolarHBondContact O-N 3.35Å; A182-S184 PolarHBondContact O-N 3.05Å; A182-S185 PolarHBondContact O-N 3.19Å; A182-K186 VanDerWaalsContact O-CB 3.3Å; A182-K186 WeakPolarHBondContact O-CB 3.25Å; A182-K186 WeakPolarHBondContact O-CG 3.45Å; A182-K186 PolarHBondContact O-N 3.41Å; A182-A193 HydrophobicContact CB-CB 4.17Å; A182-L196 HydrophobicContact CB-CD2 3.98Å; A182-L197 HydrophobicContact CB-CD1 4.21Å; A182-L197 HydrophobicContact CB-CD2 3.95Å; A182-L197 HydrophobicContact CB-CG 3.79Å
183L97.9Very high96.8Very high0 Ų045.5 Ų45.50%026%0.261CS..Hα-helixtrans-60.4-45177.2-75.3169.5000111.8K165 I166 L169 V179 S185 K186 S187 W188 V190 A193K165-L183 HydrophobicContact CB-CD1 4.09Å; I166-L183 HydrophobicContact CG1-CD1 3.82Å; L169-L183 HydrophobicContact CD1-CD1 4.01Å; L169-L183 HydrophobicContact CD1-CD2 3.9Å; L169-L183 HydrophobicContact CD1-CG 3.88Å; V179-L183 HydrophobicContact CG1-CD1 3.71Å; V179-L183 HydrophobicContact CG1-CG 4.44Å; V179-L183 WeakPolarHBondContact O-CB 3.35Å; V179-L183 WeakPolarHBondContact O-CG 3.38Å; V179-L183 PolarHBondContact O-N 3Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 3.08Å; L183-K186 CarbonylContact O-C 3.27Å; L183-K186 PolarHBondContact O-N 2.7Å; L183-S187 PolarHBondContact O-N 2.79Å; L183-W188 HydrophobicContact CB-CD2 4.37Å; L183-W188 HydrophobicContact CB-CE3 3.91Å; L183-W188 HydrophobicContact CB-CH2 4.21Å; L183-W188 HydrophobicContact CB-CZ3 3.84Å; L183-W188 HydrophobicContact CD1-CE3 4.26Å; L183-W188 HydrophobicContact CD1-CZ3 3.83Å; L183-W188 HydrophobicContact CG-CE3 4.48Å; L183-W188 HydrophobicContact CG-CZ3 4.4Å; L183-W188 WeakPolarHBondContact O-CA 3.3Å; L183-W188 PolarHBondContact O-N 2.99Å; L183-V190 HydrophobicContact CD2-CG2 4.4Å; L183-A193 HydrophobicContact CD2-CB 3.7Å; L183-A193 HydrophobicContact CG-CB 4.08Å
184S97.7Very high96.8Very high0 Ų043.4 Ų43.40%024%0.235CC..Hα-helixtrans-63.3-39180-56.80000111.8Q133 T144 W148 I180 V181 A182Q133-S184 PolarHBondContact NE2-O 3.18Å; T144-S184 WeakPolarHBondContact CG2-OG 3.19Å; W148-S184 PolarHBondContact NE1-OG 2.86Å; I180-S184 WeakPolarHBondContact O-CB 3.4Å; I180-S184 PolarHBondContact O-N 3.44Å; I180-S184 PolarHBondContact O-OG 3.05Å; V181-S184 PolarHBondContact O-N 2.76Å; A182-S184 PolarHBondContact O-N 3.05Å
185S96.1Very high96.8Very high38 Ų3847.5 Ų47.527%0.26626%0.255SS..Hα-helixtrans-77.8-20.8-179-53.60000113.5V181 A182 L183V181-S185 VanDerWaalsContact O-CB 3.25Å; V181-S185 WeakPolarHBondContact O-CB 3.48Å; V181-S185 PolarHBondContact O-N 3.28Å; V181-S185 PolarHBondContact O-OG 2.69Å; A182-S185 PolarHBondContact O-N 3.19Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 3.08Å
186K97.1Very high96.7Very high87 Ų8745.6 Ų45.638%0.37824%0.244SC..THydrogen-bonded Turntrans-109.832.1-179.4-62.4-63.4-174.9175.40112.2A182 L183 W188 D189 A193 L196A182-K186 VanDerWaalsContact O-CB 3.3Å; A182-K186 WeakPolarHBondContact O-CB 3.25Å; A182-K186 WeakPolarHBondContact O-CG 3.45Å; A182-K186 PolarHBondContact O-N 3.41Å; L183-K186 CarbonylContact O-C 3.27Å; L183-K186 PolarHBondContact O-N 2.7Å; K186-W188 PolarHBondContact O-N 2.71Å; K186-D189 WeakPolarHBondContact O-CB 3.47Å; K186-D189 PolarHBondContact O-N 3.47Å; K186-A193 HydrophobicContact CB-CB 4.28Å; K186-L196 HydrophobicContact CG-CD2 4.28Å
187S96.1Very high96.7Very high72 Ų7241 Ų4150%0.50322%0.224SC..THydrogen-bonded Turntrans54.132.9173.4-57.70000114.3M140 L183 D189M140-S187 WeakPolarHBondContact CE-O 3.32Å; L183-S187 PolarHBondContact O-N 2.79Å; S187-D189 PolarHBondContact O-N 2.89Å
188W97.4Very high96.7Very high5 Ų543.7 Ų43.72%0.01924%0.239CC..THydrogen-bonded Turntrans6122.5-177.6-64.488.8000115.1T144 L147 Y162 K165 I166 L183 K186T144-W188 HydrophobicContact CG2-CZ2 4.24Å; T144-W188 PolarHBondContact OG1-NE1 3.4Å; L147-W188 HydrophobicContact CD2-CH2 3.08Å; L147-W188 HydrophobicContact CD2-CZ2 3.35Å; L147-W188 HydrophobicContact CD2-CZ3 4.2Å; Y162-W188 VanDerWaalsContact CB-CZ3 3.47Å; Y162-W188 AromaticContact CD1-CD2 3.68Å; Y162-W188 HydrophobicContact CD1-CD2 3.68Å; Y162-W188 AromaticContact CD1-CE3 3.67Å; Y162-W188 HydrophobicContact CD1-CE3 3.67Å; Y162-W188 HydrophobicContact CD1-CG 4.12Å; Y162-W188 HydrophobicContact CD1-CZ3 4.21Å; Y162-W188 AromaticContact CD2-CD2 3.76Å; Y162-W188 HydrophobicContact CD2-CD2 3.76Å; Y162-W188 AromaticContact CD2-CE2 3.34Å; Y162-W188 HydrophobicContact CD2-CE3 4.09Å; Y162-W188 AromaticContact CD2-CH2 3.84Å; Y162-W188 HydrophobicContact CD2-CH2 3.84Å; Y162-W188 AromaticContact CD2-CZ2 3.39Å; Y162-W188 HydrophobicContact CD2-CZ2 3.39Å; Y162-W188 HydrophobicContact CD2-CZ3 4.12Å; Y162-W188 AromaticContact CD2-NE1 3.8Å; Y162-W188 HydrophobicContact CE1-CB 4.23Å; Y162-W188 AromaticContact CE1-CD2 3.76Å; Y162-W188 HydrophobicContact CE1-CD2 3.76Å; Y162-W188 HydrophobicContact CE1-CE3 4.21Å; Y162-W188 AromaticContact CE1-CG 3.73Å; Y162-W188 HydrophobicContact CE1-CG 3.73Å; Y162-W188 AromaticContact CE2-CD1 3.8Å; Y162-W188 AromaticContact CE2-CD2 3.82Å; Y162-W188 HydrophobicContact CE2-CD2 3.82Å; Y162-W188 AromaticContact CE2-CE2 3.35Å; Y162-W188 HydrophobicContact CE2-CG 4.12Å; Y162-W188 AromaticContact CE2-CZ2 3.84Å; Y162-W188 HydrophobicContact CE2-CZ2 3.84Å; Y162-W188 AromaticContact CE2-NE1 3.28Å; Y162-W188 VanDerWaalsContact CE2-NE1 3.28Å; Y162-W188 AromaticContact CG-CD2 3.68Å; Y162-W188 HydrophobicContact CG-CD2 3.68Å; Y162-W188 AromaticContact CG-CE2 3.76Å; Y162-W188 AromaticContact CG-CE3 3.6Å; Y162-W188 HydrophobicContact CG-CE3 3.6Å; Y162-W188 AromaticContact CG-CH2 3.87Å; Y162-W188 HydrophobicContact CG-CH2 3.87Å; Y162-W188 AromaticContact CG-CZ2 3.87Å; Y162-W188 HydrophobicContact CG-CZ2 3.87Å; Y162-W188 AromaticContact CG-CZ3 3.69Å; Y162-W188 HydrophobicContact CG-CZ3 3.69Å; Y162-W188 AromaticContact CZ-CD1 3.54Å; Y162-W188 AromaticContact CZ-CD2 3.82Å; Y162-W188 AromaticContact CZ-CE2 3.81Å; Y162-W188 AromaticContact CZ-CG 3.72Å; Y162-W188 AromaticContact CZ-NE1 3.55Å; K165-W188 HydrophobicContact CB-CE3 4.4Å; K165-W188 HydrophobicContact CD-CB 4.4Å; K165-W188 HydrophobicContact CD-CE3 4.07Å; K165-W188 PolarHBondContact NZ-O 2.72Å; I166-W188 HydrophobicContact CD1-CH2 4.03Å; I166-W188 HydrophobicContact CD1-CZ3 4.2Å; I166-W188 HydrophobicContact CG1-CH2 4.33Å; I166-W188 HydrophobicContact CG1-CZ3 4.11Å; L183-W188 HydrophobicContact CB-CD2 4.37Å; L183-W188 HydrophobicContact CB-CE3 3.91Å; L183-W188 HydrophobicContact CB-CH2 4.21Å; L183-W188 HydrophobicContact CB-CZ3 3.84Å; L183-W188 HydrophobicContact CD1-CE3 4.26Å; L183-W188 HydrophobicContact CD1-CZ3 3.83Å; L183-W188 HydrophobicContact CG-CE3 4.48Å; L183-W188 HydrophobicContact CG-CZ3 4.4Å; L183-W188 WeakPolarHBondContact O-CA 3.3Å; L183-W188 PolarHBondContact O-N 2.99Å; K186-W188 PolarHBondContact O-N 2.71Å
189D97.3Very high96.5Very high66 Ų6646 Ų4635%0.35325%0.253SS..  trans-82.4124.3170178.8-104.2000110.6K186 S187 E191 T192 A193K186-D189 WeakPolarHBondContact O-CB 3.47Å; K186-D189 PolarHBondContact O-N 3.47Å; S187-D189 PolarHBondContact O-N 2.89Å; D189-E191 PolarHBondContact OD1-N 3.4Å; D189-T192 WeakPolarHBondContact CB-OG1 3.34Å; D189-T192 VanDerWaalsContact OD1-CB 3.31Å; D189-T192 WeakPolarHBondContact OD1-CB 3.29Å; D189-T192 VanDerWaalsContact OD1-CG2 3.32Å; D189-T192 WeakPolarHBondContact OD1-CG2 3.44Å; D189-T192 PolarHBondContact OD1-N 3.02Å; D189-T192 PolarHBondContact OD1-OG1 3.45Å; D189-A193 WeakPolarHBondContact O-CB 3.24Å; D189-A193 PolarHBondContact O-N 2.87Å
190V96.9Very high95.2Very high30 Ų3054.4 Ų54.418%0.18230%0.297CS..Hα-helixtrans-76.4-34.9-171.8177.60000111.2K165 L169 L183 T194K165-V190 HydrophobicContact CB-CG2 4.49Å; K165-V190 HydrophobicContact CD-CG2 4.27Å; K165-V190 HydrophobicContact CG-CG2 4.09Å; L169-V190 HydrophobicContact CD2-CG1 3.98Å; L169-V190 HydrophobicContact CG-CG1 4.49Å; L183-V190 HydrophobicContact CD2-CG2 4.4Å; V190-T194 WeakPolarHBondContact O-CB 3.42Å; V190-T194 PolarHBondContact O-N 3.18Å; V190-T194 PolarHBondContact O-OG1 3.37Å
191E96.6Very high95.1Very high148 Ų14857.2 Ų57.269%0.69231%0.312SS*.Hα-helixtrans-67.6-56.8-176.6-65.6-178.6179.300110.3D189 A193 T194 E195D189-E191 PolarHBondContact OD1-N 3.4Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.26Å; E191-T194 WeakPolarHBondContact O-CB 3.48Å; E191-T194 PolarHBondContact O-N 3.08Å; E191-E195 WeakPolarHBondContact O-CG 3.43Å; E191-E195 PolarHBondContact O-N 3.18Å
192T97Very high95.1Very high51 Ų5158.2 Ų58.231%0.31332%0.317SS..Hα-helixtrans-67.6-28.8-18058.80000113.3D189 L196D189-T192 WeakPolarHBondContact CB-OG1 3.34Å; D189-T192 VanDerWaalsContact OD1-CB 3.31Å; D189-T192 WeakPolarHBondContact OD1-CB 3.29Å; D189-T192 VanDerWaalsContact OD1-CG2 3.32Å; D189-T192 WeakPolarHBondContact OD1-CG2 3.44Å; D189-T192 PolarHBondContact OD1-N 3.02Å; D189-T192 PolarHBondContact OD1-OG1 3.45Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.24Å; T192-L196 VanDerWaalsContact O-N 3.11Å
193A96.8Very high95Very high0 Ų061.2 Ų61.20%033%0.333CS..Hα-helixtrans-68.8-38.8170.400000111.9L169 A182 L183 K186 D189 E191 L196 L197L169-A193 HydrophobicContact CD1-CB 4.36Å; A182-A193 HydrophobicContact CB-CB 4.17Å; L183-A193 HydrophobicContact CD2-CB 3.7Å; L183-A193 HydrophobicContact CG-CB 4.08Å; K186-A193 HydrophobicContact CB-CB 4.28Å; D189-A193 WeakPolarHBondContact O-CB 3.24Å; D189-A193 PolarHBondContact O-N 2.87Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.26Å; A193-L196 PolarHBondContact O-N 2.9Å; A193-L197 VanDerWaalsContact O-CG 3.26Å; A193-L197 WeakPolarHBondContact O-CG 3.18Å; A193-L197 PolarHBondContact O-N 2.65Å
194T96.8Very high94.8Very high24 Ų2464.8 Ų64.815%0.14735%0.352CS..Hα-helixtrans-66.3-43.7176.1-56.50000110.9L169 M172 F174 V190 E191 L196 L197 L198L169-T194 VanDerWaalsContact CD2-OG1 3.3Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.33Å; M172-T194 HydrophobicContact CE-CG2 4.17Å; F174-T194 HydrophobicContact CE2-CG2 4.29Å; F174-T194 HydrophobicContact CZ-CG2 4.48Å; V190-T194 WeakPolarHBondContact O-CB 3.42Å; V190-T194 PolarHBondContact O-N 3.18Å; V190-T194 PolarHBondContact O-OG1 3.37Å; E191-T194 WeakPolarHBondContact O-CB 3.48Å; E191-T194 PolarHBondContact O-N 3.08Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 PolarHBondContact O-N 3.5Å; T194-L197 PolarHBondContact O-N 2.85Å; T194-L197 VanDerWaalsContact O-N 3.14Å; T194-L198 HydrophobicContact CG2-CD1 4.01Å; T194-L198 HydrophobicContact CG2-CG 4.35Å; T194-L198 WeakPolarHBondContact O-CG 3.4Å; T194-L198 PolarHBondContact O-N 2.81Å
195E96.7Very high94.6Very high132 Ų13268.9 Ų68.962%0.61737%0.374SS*.Hα-helixtrans-56.8-45174.4-71.1177.4170.400111.6E191 L197 L198 S199E191-E195 WeakPolarHBondContact O-CG 3.43Å; E191-E195 PolarHBondContact O-N 3.18Å; E195-L197 VanDerWaalsContact C-N 3.35Å; E195-L197 PolarHBondContact O-N 3.46Å; E195-L198 PolarHBondContact O-N 3.27Å; E195-S199 PolarHBondContact O-N 3.48Å; E195-S199 VanDerWaalsContact O-N 3.12Å; E195-S199 PolarHBondContact O-OG 3.02Å
196L95.5Very high94.5Very high53 Ų5370.9 Ų70.928%0.27738%0.382SS..Hα-helixtrans-61.6-42.4175.8179.563.7000111.9A182 K186 T192 A193 T194 L198 S199A182-L196 HydrophobicContact CB-CD2 3.98Å; K186-L196 HydrophobicContact CG-CD2 4.28Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.24Å; T192-L196 VanDerWaalsContact O-N 3.11Å; A193-L196 PolarHBondContact O-N 2.9Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 PolarHBondContact O-N 3.5Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-S199 PolarHBondContact O-N 2.7Å; L196-S199 PolarHBondContact O-OG 2.85Å
197L95.8Very high94.3Very high11 Ų1169.8 Ų69.86%0.05838%0.382CS..Hα-helixtrans-66.8-33.8178.7-72.6165.8000113.2L169 F174 A178 V179 A182 A193 T194 E195 S199L169-L197 HydrophobicContact CD1-CD1 3.92Å; F174-L197 HydrophobicContact CB-CD1 4.3Å; F174-L197 HydrophobicContact CD1-CB 3.91Å; F174-L197 HydrophobicContact CD1-CD1 4.46Å; F174-L197 HydrophobicContact CD2-CB 4.47Å; F174-L197 HydrophobicContact CD2-CD1 3.88Å; F174-L197 HydrophobicContact CE1-CB 3.79Å; F174-L197 HydrophobicContact CE2-CB 4.37Å; F174-L197 HydrophobicContact CE2-CD1 4.3Å; F174-L197 HydrophobicContact CG-CB 4.26Å; F174-L197 HydrophobicContact CG-CD1 3.98Å; F174-L197 HydrophobicContact CZ-CB 4.03Å; A178-L197 HydrophobicContact CB-CD2 3.79Å; V179-L197 HydrophobicContact CG2-CD1 3.9Å; A182-L197 HydrophobicContact CB-CD1 4.21Å; A182-L197 HydrophobicContact CB-CD2 3.95Å; A182-L197 HydrophobicContact CB-CG 3.79Å; A193-L197 VanDerWaalsContact O-CG 3.26Å; A193-L197 WeakPolarHBondContact O-CG 3.18Å; A193-L197 PolarHBondContact O-N 2.65Å; T194-L197 PolarHBondContact O-N 2.85Å; T194-L197 VanDerWaalsContact O-N 3.14Å; E195-L197 VanDerWaalsContact C-N 3.35Å; E195-L197 PolarHBondContact O-N 3.46Å; L197-S199 VanDerWaalsContact C-N 3.31Å
198L94.4Very high94.2Very high123 Ų12369.6 Ų69.664%0.64437%0.373SS*.Hα-helixtrans-75.9-20.6176.6-70.4171.5000113.1F174 T194 E195 L196F174-L198 HydrophobicContact CE1-CD2 4.13Å; F174-L198 HydrophobicContact CZ-CD2 3.78Å; F174-L198 HydrophobicContact CZ-CG 4.08Å; T194-L198 HydrophobicContact CG2-CD1 4.01Å; T194-L198 HydrophobicContact CG2-CG 4.35Å; T194-L198 WeakPolarHBondContact O-CG 3.4Å; T194-L198 PolarHBondContact O-N 2.81Å; E195-L198 PolarHBondContact O-N 3.27Å; L196-L198 VanDerWaalsContact C-N 3.35Å
199S91.1Very high93.9Very high86 Ų8675 Ų7560%0.60140%0.402SS*.THydrogen-bonded Turntrans-84.6-9.1179.469.80000114.4E195 L196 L197E195-S199 PolarHBondContact O-N 3.48Å; E195-S199 VanDerWaalsContact O-N 3.12Å; E195-S199 PolarHBondContact O-OG 3.02Å; L196-S199 PolarHBondContact O-N 2.7Å; L196-S199 PolarHBondContact O-OG 2.85Å; L197-S199 VanDerWaalsContact C-N 3.31Å
200N72.2Confident93.6Very high176 Ų17675.8 Ų75.894%0.94141%0.407SS*.  trans-98.90176.8-72.6-26.6000111.2

Retrieved 200 of 200 residues in 1366.4 ms (Link to these results)

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