A0A087XX52_POEFO Loading...

Ubiquitin-conjugating enzyme E2 K

AlphaFold DB (A0A3B3V1D3), UniProt , Accession A0A087XX52, Species POEFO (Poecilia formosa, Amazon molly), 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
1M68.1Low88.6Confident72 Ų7267.3 Ų67.336%0.35533%0.332SS..  0137.40-166.5-171.4-69.400110.1A5 V6 F36 T37 I62M1-A5 HydrophobicContact CG-CB 3.58Å; M1-A5 HydrophobicContact SD-CB 3.53Å; M1-A5 VanDerWaalsContact SD-CB 3.53Å; M1-V6 HydrophobicContact CB-CG2 4.03Å; M1-V6 HydrophobicContact CG-CG2 4.06Å; M1-V6 HydrophobicContact SD-CG2 3.75Å; M1-F36 VanDerWaalsContact CE-O 3.26Å; M1-F36 WeakPolarHBondContact CE-O 3.5Å; M1-T37 HydrophobicContact CE-CG2 3.51Å; M1-I62 HydrophobicContact CE-CB 4.02Å; M1-I62 HydrophobicContact CE-CG2 3.84Å; M1-I62 HydrophobicContact SD-CG2 4.44Å
2A78.3Confident89.3Confident54 Ų5461.7 Ų61.745%0.44630%0.304SS..  trans-66.3151.4179.300000112.4I4 A5 V6A2-I4 VanDerWaalsContact C-N 3.26Å; A2-I4 HydrophobicContact CB-CG2 4.25Å; A2-I4 PolarHBondContact O-N 3.47Å; A2-A5 PolarHBondContact O-N 2.93Å; A2-A5 VanDerWaalsContact O-N 3.1Å; A2-V6 PolarHBondContact O-N 3.23Å
3N82.9Confident89.8Confident117 Ų11759.2 Ų59.263%0.62629%0.291SS*.Hα-helixtrans-55.8-38.4-176.7-172.219.9000112.8A5 V6 Q7N3-A5 VanDerWaalsContact C-N 3.34Å; N3-A5 PolarHBondContact O-N 2.87Å; N3-V6 PolarHBondContact O-N 3.45Å; N3-Q7 WeakPolarHBondContact O-CG 3.49Å; N3-Q7 PolarHBondContact O-N 3.41Å
4I89.4Confident90.3Very high101 Ų10164.4 Ų64.452%0.51831%0.311SS..Hα-helixtrans-59.7-42.2178.7-168.4171.4000112.7A2 R8A2-I4 VanDerWaalsContact C-N 3.26Å; A2-I4 HydrophobicContact CB-CG2 4.25Å; A2-I4 PolarHBondContact O-N 3.47Å; I4-R8 VanDerWaalsContact O-CB 3.3Å; I4-R8 WeakPolarHBondContact O-CB 3.39Å; I4-R8 PolarHBondContact O-N 2.99Å; I4-R8 VanDerWaalsContact O-N 3.09Å
5A90Very high90.7Very high0 Ų064.6 Ų64.60%031%0.311CS..Hα-helixtrans-68.7-45.5-179.600000110.6M1 A2 N3 Q7 R8 I9 Y66M1-A5 HydrophobicContact CG-CB 3.58Å; M1-A5 HydrophobicContact SD-CB 3.53Å; M1-A5 VanDerWaalsContact SD-CB 3.53Å; A2-A5 PolarHBondContact O-N 2.93Å; A2-A5 VanDerWaalsContact O-N 3.1Å; N3-A5 VanDerWaalsContact C-N 3.34Å; N3-A5 PolarHBondContact O-N 2.87Å; A5-Q7 PolarHBondContact O-N 3.34Å; A5-R8 PolarHBondContact O-N 3.34Å; A5-I9 WeakPolarHBondContact O-CG1 3.39Å; A5-I9 PolarHBondContact O-N 3.19Å; A5-Y66 VanDerWaalsContact CB-O 3.25Å; A5-Y66 WeakPolarHBondContact CB-O 3.28Å
6V90.9Very high91.1Very high28 Ų2860.6 Ų60.617%0.1729%0.292CS..Hα-helixtrans-60.9-46.6178.6176.70000111.5M1 A2 N3 R8 I9 K10 F36M1-V6 HydrophobicContact CB-CG2 4.03Å; M1-V6 HydrophobicContact CG-CG2 4.06Å; M1-V6 HydrophobicContact SD-CG2 3.75Å; A2-V6 PolarHBondContact O-N 3.23Å; N3-V6 PolarHBondContact O-N 3.45Å; V6-R8 VanDerWaalsContact C-N 3.27Å; V6-R8 PolarHBondContact O-N 3.11Å; V6-I9 PolarHBondContact O-N 3.17Å; V6-K10 HydrophobicContact CG1-CD 4.11Å; V6-K10 WeakPolarHBondContact O-CB 3.48Å; V6-K10 WeakPolarHBondContact O-CG 3.44Å; V6-K10 PolarHBondContact O-N 3.44Å; V6-F36 HydrophobicContact CG1-CD2 4.37Å
7Q93.1Very high91.4Very high112 Ų11262.1 Ų62.152%0.52330%0.301SS..Hα-helixtrans-61.5-40.1177.7-69.1-61-26.100111.5N3 A5 R11N3-Q7 WeakPolarHBondContact O-CG 3.49Å; N3-Q7 PolarHBondContact O-N 3.41Å; A5-Q7 PolarHBondContact O-N 3.34Å; Q7-R11 PolarHBondContact O-N 2.85Å; Q7-R11 VanDerWaalsContact O-N 3.09Å
8R95.6Very high91.7Very high30 Ų3068.5 Ų68.511%0.11333%0.327CS..Hα-helixtrans-67.4-49.1179.3-174.7170.6172.2147.3-4.4112.6I4 A5 V6 K10 R11 E12 Y66 P67 A102 M104I4-R8 VanDerWaalsContact O-CB 3.3Å; I4-R8 WeakPolarHBondContact O-CB 3.39Å; I4-R8 PolarHBondContact O-N 2.99Å; I4-R8 VanDerWaalsContact O-N 3.09Å; A5-R8 PolarHBondContact O-N 3.34Å; V6-R8 VanDerWaalsContact C-N 3.27Å; V6-R8 PolarHBondContact O-N 3.11Å; R8-K10 VanDerWaalsContact C-N 3.31Å; R8-K10 PolarHBondContact O-N 3.17Å; R8-R11 WeakPolarHBondContact O-CB 3.46Å; R8-R11 PolarHBondContact O-N 3.15Å; R8-R11 VanDerWaalsContact O-N 3.11Å; R8-E12 HydrophobicContact CG-CG 4.4Å; R8-E12 WeakPolarHBondContact CG-OE1 3.4Å; R8-E12 IonicContact CZ-OE1 3.5Å; R8-E12 IonicContact NE-OE1 2.71Å; R8-E12 PolarHBondContact NE-OE1 3.32Å; R8-E12 IonicContact NH2-OE1 3.54Å; R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.89Å; R8-Y66 HydrophobicContact CB-CE1 4.35Å; R8-Y66 HydrophobicContact CG-CE1 3.82Å; R8-P67 VanDerWaalsContact CD-CB 3.41Å; R8-P67 VanDerWaalsContact NE-CB 3.25Å; R8-A102 PolarHBondContact NH1-O 3.17Å; R8-A102 PolarHBondContact NH2-O 3.36Å; R8-M104 PolarHBondContact NH2-O 2.68Å
9I95.1Very high92Very high0 Ų065.4 Ų65.40%031%0.313CS..Hα-helixtrans-61-42.1177.6-62.7-61.9000110.7A5 V6 R11 E12 F13 F36 L39 I62 Y66 L106A5-I9 WeakPolarHBondContact O-CG1 3.39Å; A5-I9 PolarHBondContact O-N 3.19Å; V6-I9 PolarHBondContact O-N 3.17Å; I9-R11 VanDerWaalsContact C-N 3.28Å; I9-R11 PolarHBondContact O-N 3.01Å; I9-E12 PolarHBondContact O-N 3.49Å; I9-F13 WeakPolarHBondContact O-CB 3.33Å; I9-F13 PolarHBondContact O-N 3.45Å; I9-F36 HydrophobicContact CB-CB 4.36Å; I9-F36 HydrophobicContact CG2-CB 3.89Å; I9-F36 HydrophobicContact CG2-CD1 3.87Å; I9-F36 HydrophobicContact CG2-CG 4.29Å; I9-L39 HydrophobicContact CG2-CD1 4.19Å; I9-I62 HydrophobicContact CD1-CD1 3.73Å; I9-I62 HydrophobicContact CD1-CG1 3.91Å; I9-I62 HydrophobicContact CD1-CG2 3.93Å; I9-I62 HydrophobicContact CG1-CG1 4.33Å; I9-I62 HydrophobicContact CG1-CG2 4.04Å; I9-Y66 HydrophobicContact CD1-CD1 3.61Å; I9-Y66 HydrophobicContact CD1-CE1 3.35Å; I9-Y66 HydrophobicContact CD1-CG 4.32Å; I9-Y66 HydrophobicContact CG1-CD1 4.02Å; I9-Y66 HydrophobicContact CG1-CE1 4.09Å; I9-L106 HydrophobicContact CG2-CD1 4.46Å
10K94.3Very high92.2Very high81 Ų8168.5 Ų68.535%0.35233%0.327SS..Hα-helixtrans-58.6-39.3174.9-77.2177.9177.5179.40112.8V6 R8 K14 F36V6-K10 HydrophobicContact CG1-CD 4.11Å; V6-K10 WeakPolarHBondContact O-CB 3.48Å; V6-K10 WeakPolarHBondContact O-CG 3.44Å; V6-K10 PolarHBondContact O-N 3.44Å; R8-K10 VanDerWaalsContact C-N 3.31Å; R8-K10 PolarHBondContact O-N 3.17Å; K10-K14 VanDerWaalsContact O-CG 3.3Å; K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 2.87Å; K10-F36 HydrophobicContact CD-CE2 4.38Å; K10-F36 HydrophobicContact CD-CZ 4.24Å; K10-F36 VanDerWaalsContact CE-CZ 3.46Å; K10-F36 HydrophobicContact CG-CD1 4.33Å; K10-F36 HydrophobicContact CG-CE1 3.81Å; K10-F36 HydrophobicContact CG-CE2 4.15Å; K10-F36 HydrophobicContact CG-CZ 3.73Å
11R96.4Very high92.5Very high145 Ų14567.2 Ų67.255%0.54732%0.321SS..Hα-helixtrans-66.5-50.3176.3-178-172.266.5-165.30.9111Q7 R8 I9 K14 E15Q7-R11 PolarHBondContact O-N 2.85Å; Q7-R11 VanDerWaalsContact O-N 3.09Å; R8-R11 WeakPolarHBondContact O-CB 3.46Å; R8-R11 PolarHBondContact O-N 3.15Å; R8-R11 VanDerWaalsContact O-N 3.11Å; I9-R11 VanDerWaalsContact C-N 3.28Å; I9-R11 PolarHBondContact O-N 3.01Å; R11-K14 PolarHBondContact O-N 2.64Å; R11-E15 PolarHBondContact O-N 3.33Å
12E97.8Very high93.8Very high0 Ų065 Ų650%031%0.312CS..Hα-helixtrans-68.2-36-177.6-67.2-179.5-160.100112.7R8 I9 K14 E15 V16 Y66 T105 L106R8-E12 HydrophobicContact CG-CG 4.4Å; R8-E12 WeakPolarHBondContact CG-OE1 3.4Å; R8-E12 IonicContact CZ-OE1 3.5Å; R8-E12 IonicContact NE-OE1 2.71Å; R8-E12 PolarHBondContact NE-OE1 3.32Å; R8-E12 IonicContact NH2-OE1 3.54Å; R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.89Å; I9-E12 PolarHBondContact O-N 3.49Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 2.98Å; E12-E15 WeakPolarHBondContact O-CB 3.41Å; E12-E15 PolarHBondContact O-N 3.14Å; E12-V16 WeakPolarHBondContact O-CG2 3.3Å; E12-V16 PolarHBondContact O-N 2.92Å; E12-Y66 VanDerWaalsContact CD-OH 3.26Å; E12-Y66 PolarHBondContact OE1-OH 3.23Å; E12-Y66 PolarHBondContact OE2-OH 3.32Å; E12-T105 HydrophobicContact CG-CG2 3.96Å; E12-T105 WeakPolarHBondContact OE2-CA 3.3Å; E12-L106 HydrophobicContact CB-CB 4.33Å; E12-L106 HydrophobicContact CB-CD1 4.12Å; E12-L106 HydrophobicContact CB-CG 4.18Å; E12-L106 PolarHBondContact OE2-N 3.48Å
13F95.8Very high94.7Very high29 Ų2966.9 Ų66.913%0.12732%0.322CS..Hα-helixtrans-59.7-46.2172.6-175.2-93.3000111I9 E15 V16 L17 V29 L31 L39I9-F13 WeakPolarHBondContact O-CB 3.33Å; I9-F13 PolarHBondContact O-N 3.45Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.4Å; F13-V16 PolarHBondContact O-N 3.34Å; F13-L17 HydrophobicContact CD1-CD1 3.82Å; F13-L17 HydrophobicContact CD1-CG 4.31Å; F13-L17 HydrophobicContact CE1-CD1 3.38Å; F13-L17 HydrophobicContact CE1-CG 4.03Å; F13-L17 HydrophobicContact CZ-CD1 4.12Å; F13-L17 HydrophobicContact CZ-CG 4.44Å; F13-L17 WeakPolarHBondContact O-CG 3.29Å; F13-L17 PolarHBondContact O-N 3.33Å; F13-V29 HydrophobicContact CD2-CB 4.46Å; F13-V29 HydrophobicContact CD2-CG1 3.55Å; F13-V29 HydrophobicContact CD2-CG2 4.15Å; F13-V29 HydrophobicContact CE2-CB 4.41Å; F13-V29 HydrophobicContact CE2-CG1 3.7Å; F13-V29 HydrophobicContact CE2-CG2 4.21Å; F13-V29 HydrophobicContact CG-CG1 4.36Å; F13-L31 HydrophobicContact CD2-CD2 4.31Å; F13-L31 HydrophobicContact CD2-CG 4.31Å; F13-L31 HydrophobicContact CE1-CD1 4.21Å; F13-L31 HydrophobicContact CE1-CG 4.35Å; F13-L31 HydrophobicContact CE2-CD1 4.44Å; F13-L31 HydrophobicContact CE2-CD2 4.18Å; F13-L31 HydrophobicContact CE2-CG 3.71Å; F13-L31 HydrophobicContact CZ-CD1 4.04Å; F13-L31 HydrophobicContact CZ-CG 3.75Å; F13-L39 HydrophobicContact CD2-CD2 4.49Å
14K95.9Very high95.3Very high132 Ų13267.2 Ų67.257%0.57432%0.318SS*.Hα-helixtrans-65.2-34.4174.4-72.5175.1-177.5-179.40112.7K10 R11 E12 K18K10-K14 VanDerWaalsContact O-CG 3.3Å; K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 2.87Å; R11-K14 PolarHBondContact O-N 2.64Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 2.98Å; K14-K18 WeakPolarHBondContact O-CB 3.49Å; K14-K18 WeakPolarHBondContact O-CG 3.3Å; K14-K18 PolarHBondContact O-N 3.5Å; K14-K18 VanDerWaalsContact O-N 3.16Å
15E97.5Very high95.7Very high68 Ų6867.2 Ų67.232%0.31832%0.319SS..Hα-helixtrans-61.7-49.3174.8-177.2-167.5158.400110.6R11 E12 F13 K18 S19R11-E15 PolarHBondContact O-N 3.33Å; E12-E15 WeakPolarHBondContact O-CB 3.41Å; E12-E15 PolarHBondContact O-N 3.14Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.4Å; E15-K18 PolarHBondContact O-N 3.18Å; E15-S19 WeakPolarHBondContact O-CB 3.42Å; E15-S19 PolarHBondContact O-N 3.33Å
16V97.3Very high96Very high0 Ų070.1 Ų70.10%033%0.332CS..Hα-helixtrans-60.1-49.6176.7177.80000110.4E12 F13 K18 S19 T22 I27 V29 L106 R107 L110E12-V16 WeakPolarHBondContact O-CG2 3.3Å; E12-V16 PolarHBondContact O-N 2.92Å; F13-V16 PolarHBondContact O-N 3.34Å; V16-K18 PolarHBondContact O-N 2.74Å; V16-K18 VanDerWaalsContact O-N 3.13Å; V16-S19 VanDerWaalsContact O-CB 3.25Å; V16-S19 WeakPolarHBondContact O-CB 3.38Å; V16-S19 PolarHBondContact O-N 3.25Å; V16-S19 PolarHBondContact O-OG 2.94Å; V16-T22 WeakPolarHBondContact O-CB 3.38Å; V16-T22 PolarHBondContact O-OG1 3.33Å; V16-I27 HydrophobicContact CG1-CD1 4.33Å; V16-I27 HydrophobicContact CG1-CG1 4.35Å; V16-V29 HydrophobicContact CB-CG1 3.7Å; V16-V29 HydrophobicContact CG1-CB 4.25Å; V16-V29 HydrophobicContact CG1-CG1 3.62Å; V16-V29 HydrophobicContact CG2-CG1 4.17Å; V16-L106 HydrophobicContact CG2-CB 4.16Å; V16-R107 HydrophobicContact CG2-CB 3.85Å; V16-L110 HydrophobicContact CG1-CD1 4.33Å
17L95.3Very high96.4Very high86 Ų8668.8 Ų68.845%0.4532%0.324SS..Hα-helixtrans-57.7-30.8-179.6-73.2-177.5000114.3F13F13-L17 HydrophobicContact CD1-CD1 3.82Å; F13-L17 HydrophobicContact CD1-CG 4.31Å; F13-L17 HydrophobicContact CE1-CD1 3.38Å; F13-L17 HydrophobicContact CE1-CG 4.03Å; F13-L17 HydrophobicContact CZ-CD1 4.12Å; F13-L17 HydrophobicContact CZ-CG 4.44Å; F13-L17 WeakPolarHBondContact O-CG 3.29Å; F13-L17 PolarHBondContact O-N 3.33Å
18K96.4Very high96.6Very high178 Ų17867.3 Ų67.377%0.77432%0.316SS*.THydrogen-bonded Turntrans-96.91179.7-66.3-178.8178.8-171.60113.3K14 E15 V16K14-K18 WeakPolarHBondContact O-CB 3.49Å; K14-K18 WeakPolarHBondContact O-CG 3.3Å; K14-K18 PolarHBondContact O-N 3.5Å; K14-K18 VanDerWaalsContact O-N 3.16Å; E15-K18 PolarHBondContact O-N 3.18Å; V16-K18 PolarHBondContact O-N 2.74Å; V16-K18 VanDerWaalsContact O-N 3.13Å
19S97.2Very high96.7Very high9 Ų965.9 Ų65.96%0.06331%0.311CS..SBendtrans-71150-175.473.40000111.6E15 V16 E21 T22 S23E15-S19 WeakPolarHBondContact O-CB 3.42Å; E15-S19 PolarHBondContact O-N 3.33Å; V16-S19 VanDerWaalsContact O-CB 3.25Å; V16-S19 WeakPolarHBondContact O-CB 3.38Å; V16-S19 PolarHBondContact O-N 3.25Å; V16-S19 PolarHBondContact O-OG 2.94Å; S19-E21 WeakPolarHBondContact CB-OE2 3.41Å; S19-E21 PolarHBondContact O-N 3Å; S19-T22 PolarHBondContact O-N 3.27Å; S19-T22 WeakPolarHBondContact OG-CB 3.41Å; S19-T22 PolarHBondContact OG-N 3.43Å; S19-T22 VanDerWaalsContact OG-N 3.08Å; S19-T22 PolarHBondContact OG-OG1 3.24Å; S19-T22 VanDerWaalsContact OG-OG1 3.1Å; S19-S23 PolarHBondContact O-N 2.94Å; S19-S23 VanDerWaalsContact O-N 3.16Å; S19-S23 PolarHBondContact O-OG 2.92Å
20E97.4Very high96.7Very high127 Ų12768.8 Ų68.859%0.59333%0.326SS*.Hα-helixtrans-61.9-33.5171.4-70.9-167.6-166.900111.5S23 K24E20-S23 WeakPolarHBondContact O-CB 3.4Å; E20-S23 PolarHBondContact O-N 2.75Å; E20-K24 WeakPolarHBondContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 3Å; E20-K24 IonicContact OE2-NZ 2.68Å; E20-K24 PolarHBondContact OE2-NZ 2.85Å
21E97.6Very high96.7Very high42 Ų4268.5 Ų68.520%0.19633%0.328CS..Hα-helixtrans-65.5-40.4-179.5-63.786.3-169.300111.4S19 K24 N25 Q26 I27 R107 L111S19-E21 WeakPolarHBondContact CB-OE2 3.41Å; S19-E21 PolarHBondContact O-N 3Å; E21-K24 CarbonylContact O-C 3.2Å; E21-K24 PolarHBondContact O-N 2.93Å; E21-N25 PolarHBondContact O-N 3.33Å; E21-N25 VanDerWaalsContact O-N 3.17Å; E21-Q26 HydrophobicContact CB-CB 4.13Å; E21-Q26 WeakPolarHBondContact O-CB 3.32Å; E21-Q26 PolarHBondContact O-N 3.35Å; E21-I27 HydrophobicContact CB-CD1 3.95Å; E21-I27 HydrophobicContact CB-CG1 3.79Å; E21-R107 IonicContact OE1-CZ 3.7Å; E21-R107 IonicContact OE1-NE 3.68Å; E21-R107 IonicContact OE1-NH2 2.69Å; E21-R107 PolarHBondContact OE1-NH2 3.47Å; E21-R107 IonicContact OE2-CZ 3.38Å; E21-R107 IonicContact OE2-NE 2.72Å; E21-R107 PolarHBondContact OE2-NE 2.83Å; E21-R107 IonicContact OE2-NH2 3.08Å; E21-R107 PolarHBondContact OE2-NH2 3Å; E21-R107 VanDerWaalsContact OE2-NH2 3.08Å; E21-L111 HydrophobicContact CB-CD2 4.39Å; E21-L111 HydrophobicContact CG-CD2 3.92Å
22T96.2Very high96.6Very high27 Ų2765 Ų6517%0.16632%0.322CS..Hα-helixtrans-65.6-40.1171.4-64.60000112V16 S19 K24 N25 I27V16-T22 WeakPolarHBondContact O-CB 3.38Å; V16-T22 PolarHBondContact O-OG1 3.33Å; S19-T22 PolarHBondContact O-N 3.27Å; S19-T22 WeakPolarHBondContact OG-CB 3.41Å; S19-T22 PolarHBondContact OG-N 3.43Å; S19-T22 VanDerWaalsContact OG-N 3.08Å; S19-T22 PolarHBondContact OG-OG1 3.24Å; S19-T22 VanDerWaalsContact OG-OG1 3.1Å; T22-K24 PolarHBondContact O-N 3.36Å; T22-N25 WeakPolarHBondContact O-CA 3.28Å; T22-N25 PolarHBondContact O-N 3.21Å; T22-I27 VanDerWaalsContact CA-O 3.27Å; T22-I27 WeakPolarHBondContact CA-O 3.1Å; T22-I27 WeakPolarHBondContact CB-O 3.44Å; T22-I27 PolarHBondContact OG1-O 2.66Å
23S96.1Very high96.1Very high92 Ų9266.7 Ų66.764%0.64333%0.332SS*.Hα-helixtrans-62.6-31.3175.3-56.50000112.5S19 E20 N25S19-S23 PolarHBondContact O-N 2.94Å; S19-S23 VanDerWaalsContact O-N 3.16Å; S19-S23 PolarHBondContact O-OG 2.92Å; E20-S23 WeakPolarHBondContact O-CB 3.4Å; E20-S23 PolarHBondContact O-N 2.75Å; S23-N25 VanDerWaalsContact C-N 3.28Å
24K96.5Very high95.6Very high125 Ų12573.9 Ų73.954%0.54337%0.366SS..THydrogen-bonded Turntrans-87.910.9173.7-66.6168-172.8159.40113.2E20 E21 T22 Q26E20-K24 WeakPolarHBondContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 3Å; E20-K24 IonicContact OE2-NZ 2.68Å; E20-K24 PolarHBondContact OE2-NZ 2.85Å; E21-K24 CarbonylContact O-C 3.2Å; E21-K24 PolarHBondContact O-N 2.93Å; T22-K24 PolarHBondContact O-N 3.36Å; K24-Q26 HydrophobicContact CB-CG 4.05Å; K24-Q26 PolarHBondContact O-N 3.46Å; K24-Q26 PolarHBondContact O-NE2 2.9Å
25N96.4Very high95.2Very high101 Ų10173.1 Ų73.154%0.5437%0.368SS..THydrogen-bonded Turntrans57.624.4-179.3-58.6-63.8000115.1E21 T22 S23E21-N25 PolarHBondContact O-N 3.33Å; E21-N25 VanDerWaalsContact O-N 3.17Å; T22-N25 WeakPolarHBondContact O-CA 3.28Å; T22-N25 PolarHBondContact O-N 3.21Å; S23-N25 VanDerWaalsContact C-N 3.28Å
26Q98.1Very high94.8Very high60 Ų6071.2 Ų71.228%0.2836%0.359SS..SBendtrans-82.7-40.3-178-63-57.1-54.700112.9E21 K24 I43 A44E21-Q26 HydrophobicContact CB-CB 4.13Å; E21-Q26 WeakPolarHBondContact O-CB 3.32Å; E21-Q26 PolarHBondContact O-N 3.35Å; K24-Q26 HydrophobicContact CB-CG 4.05Å; K24-Q26 PolarHBondContact O-N 3.46Å; K24-Q26 PolarHBondContact O-NE2 2.9Å; Q26-I43 CarbonylContact O-C 3.57Å; Q26-I43 WeakPolarHBondContact O-CA 3.47Å; Q26-A44 PolarHBondContact O-N 3.45Å
27I98.3Very high94.6Very high1 Ų174 Ų741%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-137.6151.4179.569.7177.7000110.5V16 E21 T22 E42 I43 R107 L110 L111V16-I27 HydrophobicContact CG1-CD1 4.33Å; V16-I27 HydrophobicContact CG1-CG1 4.35Å; E21-I27 HydrophobicContact CB-CD1 3.95Å; E21-I27 HydrophobicContact CB-CG1 3.79Å; T22-I27 VanDerWaalsContact CA-O 3.27Å; T22-I27 WeakPolarHBondContact CA-O 3.1Å; T22-I27 WeakPolarHBondContact CB-O 3.44Å; T22-I27 PolarHBondContact OG1-O 2.66Å; I27-E42 CarbonylContact C-O 3.57Å; I27-E42 WeakPolarHBondContact CA-O 3.47Å; I27-I43 HydrophobicContact CG2-CG2 4.08Å; I27-R107 HydrophobicContact CD1-CG 4.02Å; I27-L110 HydrophobicContact CB-CB 4.14Å; I27-L110 HydrophobicContact CB-CD1 4.17Å; I27-L110 HydrophobicContact CD1-CB 4.25Å; I27-L110 HydrophobicContact CD1-CD1 4.31Å; I27-L110 HydrophobicContact CG2-CB 3.97Å; I27-L111 HydrophobicContact CD1-CD2 4.23Å; I27-L111 HydrophobicContact CD1-CG 4.31Å; I27-L111 HydrophobicContact CG2-CD2 3.95Å
28K96.9Very high94.6Very high80 Ų8072.7 Ų72.735%0.34837%0.367SS..EExtended strand (participates in β ladder)trans-146.8154.1174.3-170.7-174.3-179.5-142.50109.9D30 G41 E42K28-D30 WeakPolarHBondContact CE-OD1 3.26Å; K28-D30 WeakPolarHBondContact CE-OD2 3.32Å; K28-D30 IonicContact NZ-OD1 2.9Å; K28-D30 PolarHBondContact NZ-OD1 2.81Å; K28-D30 IonicContact NZ-OD2 2.7Å; K28-D30 PolarHBondContact NZ-OD2 3Å; K28-G41 CarbonylContact O-C 3.49Å; K28-G41 WeakPolarHBondContact O-CA 3.31Å; K28-E42 HydrophobicContact CB-CB 4.24Å; K28-E42 PolarHBondContact N-O 2.99Å; K28-E42 PolarHBondContact O-N 3.36Å
29V97.6Very high94.7Very high1 Ų164.3 Ų64.31%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-136.3136.9166.666.70000109.7F13 V16 L39 R40F13-V29 HydrophobicContact CD2-CB 4.46Å; F13-V29 HydrophobicContact CD2-CG1 3.55Å; F13-V29 HydrophobicContact CD2-CG2 4.15Å; F13-V29 HydrophobicContact CE2-CB 4.41Å; F13-V29 HydrophobicContact CE2-CG1 3.7Å; F13-V29 HydrophobicContact CE2-CG2 4.21Å; F13-V29 HydrophobicContact CG-CG1 4.36Å; V16-V29 HydrophobicContact CB-CG1 3.7Å; V16-V29 HydrophobicContact CG1-CB 4.25Å; V16-V29 HydrophobicContact CG1-CG1 3.62Å; V16-V29 HydrophobicContact CG2-CG1 4.17Å; V29-L39 HydrophobicContact CG2-CB 3.96Å; V29-L39 HydrophobicContact CG2-CD1 4.25Å; V29-R40 CarbonylContact C-O 3.55Å; V29-R40 WeakPolarHBondContact CA-O 3.3Å
30D96.1Very high94.7Very high60 Ų6067.9 Ų67.932%0.32134%0.343SS..EExtended strand (participates in β ladder)trans-121.8148.3175.4-64.7-53.6000109.7K28 L39 R40K28-D30 WeakPolarHBondContact CE-OD1 3.26Å; K28-D30 WeakPolarHBondContact CE-OD2 3.32Å; K28-D30 IonicContact NZ-OD1 2.9Å; K28-D30 PolarHBondContact NZ-OD1 2.81Å; K28-D30 IonicContact NZ-OD2 2.7Å; K28-D30 PolarHBondContact NZ-OD2 3Å; D30-L39 WeakPolarHBondContact O-CA 3.33Å; D30-R40 HydrophobicContact CB-CB 4.44Å; D30-R40 PolarHBondContact N-O 3.47Å; D30-R40 PolarHBondContact O-N 3.4Å
31L93.8Very high94.8Very high76 Ų7661.9 Ų61.940%0.39832%0.315SS..EExtended strand (participates in β ladder)trans-77.9131.7172.4-70.4164.3000109.3F13 F36 L39F13-L31 HydrophobicContact CD2-CD2 4.31Å; F13-L31 HydrophobicContact CD2-CG 4.31Å; F13-L31 HydrophobicContact CE1-CD1 4.21Å; F13-L31 HydrophobicContact CE1-CG 4.35Å; F13-L31 HydrophobicContact CE2-CD1 4.44Å; F13-L31 HydrophobicContact CE2-CD2 4.18Å; F13-L31 HydrophobicContact CE2-CG 3.71Å; F13-L31 HydrophobicContact CZ-CD1 4.04Å; F13-L31 HydrophobicContact CZ-CG 3.75Å; L31-F36 HydrophobicContact CD1-CE1 3.96Å; L31-F36 HydrophobicContact CD1-CZ 4.4Å; L31-F36 HydrophobicContact CD2-CD1 3.33Å; L31-F36 HydrophobicContact CD2-CE1 3.41Å; L31-F36 VanDerWaalsContact CD2-CE1 3.41Å; L31-F36 HydrophobicContact CD2-CG 4.25Å; L31-F36 HydrophobicContact CD2-CZ 4.36Å; L31-F36 HydrophobicContact CG-CE1 4.34Å; L31-L39 HydrophobicContact CD2-CD2 3.47Å; L31-L39 VanDerWaalsContact CD2-CD2 3.47Å; L31-L39 HydrophobicContact CG-CD2 4.42Å
32V93.9Very high94.8Very high70 Ų7061.4 Ų61.442%0.42431%0.313SS..SBendtrans-97.4-36.4171.3179.60000110.2E38 R40V32-E38 HydrophobicContact CB-CB 4.13Å; V32-E38 HydrophobicContact CB-CG 3.97Å; V32-E38 WeakPolarHBondContact CB-O 3.46Å; V32-E38 HydrophobicContact CG1-CB 4.43Å; V32-E38 HydrophobicContact CG1-CG 4.09Å; V32-E38 HydrophobicContact CG2-CG 4.25Å; V32-E38 PolarHBondContact N-O 3.5Å; V32-E38 VanDerWaalsContact N-O 3.15Å; V32-R40 HydrophobicContact CG2-CB 3.79Å
33D87.6Confident95Very high37 Ų3760.1 Ų60.120%0.19831%0.305CS..SBendtrans-122.7162.4177.875.6-20.6000112.8N35 F36 T37 E38D33-N35 VanDerWaalsContact C-N 3.26Å; D33-N35 WeakPolarHBondContact OD2-CB 3.48Å; D33-F36 VanDerWaalsContact OD1-CA 3.29Å; D33-F36 WeakPolarHBondContact OD1-CA 3.37Å; D33-F36 PolarHBondContact OD1-N 3.06Å; D33-T37 PolarHBondContact OD1-N 3.11Å; D33-T37 WeakPolarHBondContact OD2-CB 3.28Å; D33-T37 PolarHBondContact OD2-N 2.74Å; D33-T37 PolarHBondContact OD2-OG1 3.12Å; D33-E38 PolarHBondContact OD1-N 2.93Å; D33-E38 VanDerWaalsContact OD1-N 3.12Å
34E85.6Confident95.1Very high180 Ų18056.4 Ų56.484%0.84128%0.28SS*.THydrogen-bonded Turntrans-75.8-19.1175-61.3-173.1168.300112.4F36E34-F36 WeakPolarHBondContact O-CD2 3.49Å; E34-F36 WeakPolarHBondContact O-CE2 3.29Å
35N87.1Confident95.2Very high115 Ų11550.8 Ų50.862%0.61526%0.257SS*.THydrogen-bonded Turntrans-91.21.6-174.4-66.2-33000113.8D33 T37D33-N35 VanDerWaalsContact C-N 3.26Å; D33-N35 WeakPolarHBondContact OD2-CB 3.48Å; N35-T37 HydrophobicContact CB-CG2 4.2Å; N35-T37 PolarHBondContact O-N 3.31Å
36F89.4Confident95.3Very high29 Ų2946.5 Ų46.513%0.12724%0.235CC..SBendtrans60.220.9-179.9-57.5-92.1000113.7M1 V6 I9 K10 L31 D33 E34 I62M1-F36 VanDerWaalsContact CE-O 3.26Å; M1-F36 WeakPolarHBondContact CE-O 3.5Å; V6-F36 HydrophobicContact CG1-CD2 4.37Å; I9-F36 HydrophobicContact CB-CB 4.36Å; I9-F36 HydrophobicContact CG2-CB 3.89Å; I9-F36 HydrophobicContact CG2-CD1 3.87Å; I9-F36 HydrophobicContact CG2-CG 4.29Å; K10-F36 HydrophobicContact CD-CE2 4.38Å; K10-F36 HydrophobicContact CD-CZ 4.24Å; K10-F36 VanDerWaalsContact CE-CZ 3.46Å; K10-F36 HydrophobicContact CG-CD1 4.33Å; K10-F36 HydrophobicContact CG-CE1 3.81Å; K10-F36 HydrophobicContact CG-CE2 4.15Å; K10-F36 HydrophobicContact CG-CZ 3.73Å; L31-F36 HydrophobicContact CD1-CE1 3.96Å; L31-F36 HydrophobicContact CD1-CZ 4.4Å; L31-F36 HydrophobicContact CD2-CD1 3.33Å; L31-F36 HydrophobicContact CD2-CE1 3.41Å; L31-F36 VanDerWaalsContact CD2-CE1 3.41Å; L31-F36 HydrophobicContact CD2-CG 4.25Å; L31-F36 HydrophobicContact CD2-CZ 4.36Å; L31-F36 HydrophobicContact CG-CE1 4.34Å; D33-F36 VanDerWaalsContact OD1-CA 3.29Å; D33-F36 WeakPolarHBondContact OD1-CA 3.37Å; D33-F36 PolarHBondContact OD1-N 3.06Å; E34-F36 WeakPolarHBondContact O-CD2 3.49Å; E34-F36 WeakPolarHBondContact O-CE2 3.29Å; F36-I62 WeakPolarHBondContact O-CG1 3.47Å
37T93.1Very high95.2Very high59 Ų5947.4 Ų47.436%0.36225%0.246SC..SBendtrans-87.2-22.7178.268.20000112M1 D33 N35 K61 I62M1-T37 HydrophobicContact CE-CG2 3.51Å; D33-T37 PolarHBondContact OD1-N 3.11Å; D33-T37 WeakPolarHBondContact OD2-CB 3.28Å; D33-T37 PolarHBondContact OD2-N 2.74Å; D33-T37 PolarHBondContact OD2-OG1 3.12Å; N35-T37 HydrophobicContact CB-CG2 4.2Å; N35-T37 PolarHBondContact O-N 3.31Å; T37-K61 WeakPolarHBondContact O-CA 3.3Å; T37-I62 PolarHBondContact O-N 2.98Å
38E96.1Very high95.2Very high58 Ų5854.8 Ų54.827%0.27129%0.286SS..EExtended strand (participates in β ladder)trans-133.4129.5178.2-168170.5173.200111.1V32 D33 I60 K61V32-E38 HydrophobicContact CB-CB 4.13Å; V32-E38 HydrophobicContact CB-CG 3.97Å; V32-E38 WeakPolarHBondContact CB-O 3.46Å; V32-E38 HydrophobicContact CG1-CB 4.43Å; V32-E38 HydrophobicContact CG1-CG 4.09Å; V32-E38 HydrophobicContact CG2-CG 4.25Å; V32-E38 PolarHBondContact N-O 3.5Å; V32-E38 VanDerWaalsContact N-O 3.15Å; D33-E38 PolarHBondContact OD1-N 2.93Å; D33-E38 VanDerWaalsContact OD1-N 3.12Å; E38-I60 WeakPolarHBondContact CA-O 3.33Å; E38-K61 HydrophobicContact CG-CG 4.42Å
39L97.4Very high95.2Very high1 Ų151.8 Ų51.81%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-128.2152.8179.2-52.2168.1000108.9I9 F13 V29 D30 L31 I60 I62 L106I9-L39 HydrophobicContact CG2-CD1 4.19Å; F13-L39 HydrophobicContact CD2-CD2 4.49Å; V29-L39 HydrophobicContact CG2-CB 3.96Å; V29-L39 HydrophobicContact CG2-CD1 4.25Å; D30-L39 WeakPolarHBondContact O-CA 3.33Å; L31-L39 HydrophobicContact CD2-CD2 3.47Å; L31-L39 VanDerWaalsContact CD2-CD2 3.47Å; L31-L39 HydrophobicContact CG-CD2 4.42Å; L39-I60 HydrophobicContact CB-CB 4.08Å; L39-I60 HydrophobicContact CB-CG2 4.4Å; L39-I60 HydrophobicContact CD1-CG2 4.38Å; L39-I60 PolarHBondContact N-O 3.03Å; L39-I60 PolarHBondContact O-N 3.02Å; L39-I62 HydrophobicContact CD1-CD1 4.05Å; L39-I62 HydrophobicContact CD1-CG1 4.18Å; L39-L106 HydrophobicContact CD1-CD1 3.59Å; L39-L106 HydrophobicContact CD1-CD2 4Å; L39-L106 HydrophobicContact CD1-CG 4.47Å
40R98.4Very high95.3Very high85 Ų8552.8 Ų52.832%0.32128%0.28SS..EExtended strand (participates in β ladder)trans-110112.5170.8-172.8165.1-65.2-114.6-5.8108.8V29 D30 V32 L58 I76V29-R40 CarbonylContact C-O 3.55Å; V29-R40 WeakPolarHBondContact CA-O 3.3Å; D30-R40 HydrophobicContact CB-CB 4.44Å; D30-R40 PolarHBondContact N-O 3.47Å; D30-R40 PolarHBondContact O-N 3.4Å; V32-R40 HydrophobicContact CG2-CB 3.79Å; R40-L58 CarbonylContact C-O 3.56Å; R40-L58 WeakPolarHBondContact CA-O 3.32Å; R40-I76 VanDerWaalsContact CZ-CD1 3.48Å; R40-I76 VanDerWaalsContact NH1-CD1 3.3Å
41G98.4Very high95.4Very high0 Ų050.1 Ų50.10%027%0.266CS..EExtended strand (participates in β ladder)trans-87.1158.6172.100000111K28 Q57 L58K28-G41 CarbonylContact O-C 3.49Å; K28-G41 WeakPolarHBondContact O-CA 3.31Å; G41-Q57 CarbonylContact O-C 3.42Å; G41-Q57 WeakPolarHBondContact O-CA 3.47Å; G41-L58 PolarHBondContact N-O 3.16Å; G41-L58 PolarHBondContact O-N 2.87Å
42E98.8Very high95.6Very high33 Ų3351.2 Ų51.215%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-143.9137.4166-165.6-177.381.200109.6I27 K28 R55 Y56 Q57I27-E42 CarbonylContact C-O 3.57Å; I27-E42 WeakPolarHBondContact CA-O 3.47Å; K28-E42 HydrophobicContact CB-CB 4.24Å; K28-E42 PolarHBondContact N-O 2.99Å; K28-E42 PolarHBondContact O-N 3.36Å; E42-R55 HydrophobicContact CG-CB 4.35Å; E42-R55 IonicContact OE1-CZ 3.04Å; E42-R55 IonicContact OE1-NE 3.62Å; E42-R55 PolarHBondContact OE1-NE 3.27Å; E42-R55 IonicContact OE1-NH2 2.85Å; E42-R55 PolarHBondContact OE1-NH2 3.45Å; E42-Y56 VanDerWaalsContact CA-O 3.29Å; E42-Y56 WeakPolarHBondContact CA-O 3.35Å; E42-Q57 HydrophobicContact CG-CG 4.41Å
43I98.8Very high95.8Very high0 Ų050.2 Ų50.20%027%0.273CS..EExtended strand (participates in β ladder)trans-126.3143.7174.863.1176.9000110.5Q26 I27 Y56 L58 F75 L110 L113 L117Q26-I43 CarbonylContact O-C 3.57Å; Q26-I43 WeakPolarHBondContact O-CA 3.47Å; I27-I43 HydrophobicContact CG2-CG2 4.08Å; I43-Y56 PolarHBondContact N-O 2.87Å; I43-Y56 PolarHBondContact O-N 3.41Å; I43-L58 HydrophobicContact CD1-CD1 4.49Å; I43-L58 HydrophobicContact CG1-CD1 4.46Å; I43-L58 HydrophobicContact CG2-CD1 4.01Å; I43-F75 HydrophobicContact CD1-CE1 4.32Å; I43-F75 HydrophobicContact CD1-CZ 4.12Å; I43-L110 HydrophobicContact CG2-CB 4.12Å; I43-L110 HydrophobicContact CG2-CD2 3.88Å; I43-L113 HydrophobicContact CD1-CB 3.95Å; I43-L117 HydrophobicContact CD1-CD1 4.02Å
44A98.8Very high96.3Very high14 Ų1448.5 Ų48.512%0.11626%0.264CS..EExtended strand (participates in β ladder)trans-79.4140.2169.600000109.7Q26 Q114Q26-A44 PolarHBondContact O-N 3.45Å; A44-Q114 PolarHBondContact O-NE2 3.47Å
45G98.6Very high96.9Very high7 Ų744.5 Ų44.57%0.07224%0.241CC..PPolyproline II helixtrans-60.7131.517000000110.8Y51 G54G45-Y51 WeakPolarHBondContact CA-O 3.37Å; G45-G54 PolarHBondContact N-O 3.34Å
46P98.4Very high97.5Very high10 Ų1039.1 Ų39.17%0.06521%0.212CC..PPolyproline II helixtrans-61.6149.9-178.8-15.625.2000112.1T49 Q114 L117 A118P46-T49 HydrophobicContact CB-CG2 3.81Å; P46-T49 HydrophobicContact CG-CG2 4.23Å; P46-T49 PolarHBondContact O-OG1 2.9Å; P46-Q114 HydrophobicContact CG-CG 3.79Å; P46-Q114 WeakPolarHBondContact CG-O 3.3Å; P46-L117 HydrophobicContact CG-CB 3.95Å; P46-A118 HydrophobicContact CB-CB 4.21Å; P46-A118 HydrophobicContact CG-CB 4.1Å
47P97.2Very high97.9Very high80 Ų8040.9 Ų40.952%0.51922%0.221SC..THydrogen-bonded Turntrans-62.2155.6173.929.7-35.9000111.4T49P47-T49 PolarHBondContact O-N 3.36Å; P47-T49 VanDerWaalsContact O-N 3.11Å
48D96.4Very high98.2Very high156 Ų15638 Ų3883%0.83420%0.203SC*.THydrogen-bonded Turntrans62.913.8178.6-57.3-58.6000114.6E52D48-E52 PolarHBondContact N-OE2 2.93Å
49T98.3Very high98.3Very high16 Ų1637.1 Ų37.110%0.09820%0.199CC..SBendtrans-110.3163.417575.10000110.6P46 P47 Y51 E52 A118P46-T49 HydrophobicContact CB-CG2 3.81Å; P46-T49 HydrophobicContact CG-CG2 4.23Å; P46-T49 PolarHBondContact O-OG1 2.9Å; P47-T49 PolarHBondContact O-N 3.36Å; P47-T49 VanDerWaalsContact O-N 3.11Å; T49-Y51 PolarHBondContact O-N 3.38Å; T49-Y51 VanDerWaalsContact O-N 3.08Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.19Å; T49-Y51 PolarHBondContact OG1-N 2.92Å; T49-Y51 VanDerWaalsContact OG1-N 3.17Å; T49-E52 WeakPolarHBondContact O-CB 3.34Å; T49-E52 PolarHBondContact O-N 2.98Å; T49-E52 PolarHBondContact OG1-N 2.64Å; T49-A118 HydrophobicContact CG2-CB 4.1Å
50P98.3Very high98.4Very high22 Ų2237.2 Ų37.214%0.14320%0.199CC..THydrogen-bonded Turntrans-63.4-8.6170.227.5-36.7000114.3F141 K142 A145 R146 S149P50-F141 HydrophobicContact CG-CE1 4.47Å; P50-K142 HydrophobicContact CB-CG 4.36Å; P50-A145 HydrophobicContact CB-CB 3.64Å; P50-A145 HydrophobicContact CG-CB 3.75Å; P50-R146 HydrophobicContact CB-CG 3.66Å; P50-R146 WeakPolarHBondContact O-CA 3.28Å; P50-R146 WeakPolarHBondContact O-CG 3.45Å; P50-S149 PolarHBondContact O-OG 3.21Å
51Y98.7Very high98.3Very high4 Ų437.2 Ų37.22%0.01620%0.202CC..THydrogen-bonded Turntrans-94.5-10.2-178.2-49.9-65.2000113G45 T49 G53 G54 Y56 I79 W80 H81 L117 F141 A145G45-Y51 WeakPolarHBondContact CA-O 3.37Å; T49-Y51 PolarHBondContact O-N 3.38Å; T49-Y51 VanDerWaalsContact O-N 3.08Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.19Å; T49-Y51 PolarHBondContact OG1-N 2.92Å; T49-Y51 VanDerWaalsContact OG1-N 3.17Å; Y51-G53 PolarHBondContact O-N 3.41Å; Y51-G54 WeakPolarHBondContact O-CA 3.32Å; Y51-G54 PolarHBondContact O-N 3.49Å; Y51-Y56 WeakPolarHBondContact CA-OH 3.5Å; Y51-Y56 VanDerWaalsContact CB-OH 3.3Å; Y51-Y56 WeakPolarHBondContact CB-OH 3.23Å; Y51-Y56 WeakPolarHBondContact CD1-OH 3.39Å; Y51-Y56 PolarHBondContact O-OH 2.8Å; Y51-I79 HydrophobicContact CD1-CD1 3.91Å; Y51-I79 HydrophobicContact CD1-CG1 4.09Å; Y51-I79 HydrophobicContact CE1-CD1 3.83Å; Y51-I79 HydrophobicContact CE1-CG1 3.74Å; Y51-W80 WeakPolarHBondContact CE1-O 3.31Å; Y51-W80 PolarHBondContact OH-O 3.35Å; Y51-H81 AromaticContact CE2-CD2 3.84Å; Y51-H81 AromaticContact CZ-CD2 3.7Å; Y51-H81 PolarHBondContact OH-CD2 3.21Å; Y51-L117 HydrophobicContact CD2-CB 3.83Å; Y51-L117 WeakPolarHBondContact CD2-O 3.34Å; Y51-L117 HydrophobicContact CE2-CB 4.23Å; Y51-L117 HydrophobicContact CE2-CD2 4.48Å; Y51-L117 WeakPolarHBondContact CE2-O 3.48Å; Y51-L117 HydrophobicContact CG-CB 4.47Å; Y51-L117 HydrophobicContact CG-CD1 4.44Å; Y51-F141 WeakPolarHBondContact OH-CZ 3.41Å; Y51-A145 HydrophobicContact CE1-CB 3.99Å
52E98.4Very high98.3Very high99 Ų9937.8 Ų37.846%0.46321%0.205SC..THydrogen-bonded Turntrans-51.9135.2-176.5-175.9176.3174.400112.6D48 T49 G54D48-E52 PolarHBondContact N-OE2 2.93Å; T49-E52 WeakPolarHBondContact O-CB 3.34Å; T49-E52 PolarHBondContact O-N 2.98Å; T49-E52 PolarHBondContact OG1-N 2.64Å; E52-G54 PolarHBondContact O-N 2.92Å
53G97.9Very high98.1Very high49 Ų4937.7 Ų37.751%0.50521%0.207SC..THydrogen-bonded Turntrans78.2-9.6-176.800000114.5Y51Y51-G53 PolarHBondContact O-N 3.41Å
54G98.4Very high97.9Very high1 Ų145.2 Ų45.21%0.0124%0.242CC..  trans-80.6151.3172.200000112.9G45 Y51 E52 A153G45-G54 PolarHBondContact N-O 3.34Å; Y51-G54 WeakPolarHBondContact O-CA 3.32Å; Y51-G54 PolarHBondContact O-N 3.49Å; E52-G54 PolarHBondContact O-N 2.92Å; G54-A153 CarbonylContact C-O 3.55Å; G54-A153 WeakPolarHBondContact CA-O 3.42Å
55R98.6Very high97.7Very high97 Ų9747.9 Ų47.937%0.36626%0.257SS..EExtended strand (participates in β ladder)trans-119.2128.4169.7-57.8-168.774.7129.14.6110.6E42 A153E42-R55 HydrophobicContact CG-CB 4.35Å; E42-R55 IonicContact OE1-CZ 3.04Å; E42-R55 IonicContact OE1-NE 3.62Å; E42-R55 PolarHBondContact OE1-NE 3.27Å; E42-R55 IonicContact OE1-NH2 2.85Å; E42-R55 PolarHBondContact OE1-NH2 3.45Å; R55-A153 PolarHBondContact N-O 3.16Å
56Y98.9Very high97.6Very high1 Ų147.6 Ų47.60%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-116.5113.9-171.6-57.2-89.5000110.5E42 I43 Y51 F75 T77 I79 L117 S149 A153E42-Y56 VanDerWaalsContact CA-O 3.29Å; E42-Y56 WeakPolarHBondContact CA-O 3.35Å; I43-Y56 PolarHBondContact N-O 2.87Å; I43-Y56 PolarHBondContact O-N 3.41Å; Y51-Y56 WeakPolarHBondContact CA-OH 3.5Å; Y51-Y56 VanDerWaalsContact CB-OH 3.3Å; Y51-Y56 WeakPolarHBondContact CB-OH 3.23Å; Y51-Y56 WeakPolarHBondContact CD1-OH 3.39Å; Y51-Y56 PolarHBondContact O-OH 2.8Å; Y56-F75 HydrophobicContact CD1-CD1 4.45Å; Y56-F75 HydrophobicContact CD1-CE1 4.36Å; Y56-F75 HydrophobicContact CG-CE1 4.2Å; Y56-T77 HydrophobicContact CD1-CG2 3.82Å; Y56-T77 HydrophobicContact CE1-CG2 4.4Å; Y56-I79 HydrophobicContact CD1-CB 4.35Å; Y56-I79 HydrophobicContact CD1-CD1 3.83Å; Y56-I79 HydrophobicContact CD1-CG1 4.3Å; Y56-I79 HydrophobicContact CE1-CB 4.26Å; Y56-I79 HydrophobicContact CE1-CD1 3.65Å; Y56-I79 HydrophobicContact CE1-CG1 3.89Å; Y56-L117 HydrophobicContact CD2-CD1 4.16Å; Y56-L117 HydrophobicContact CE2-CD1 4.28Å; Y56-S149 VanDerWaalsContact OH-CB 3.23Å; Y56-S149 WeakPolarHBondContact OH-CB 3.4Å; Y56-S149 PolarHBondContact OH-OG 3.03Å; Y56-A153 HydrophobicContact CD1-CB 4Å; Y56-A153 HydrophobicContact CE1-CB 3.51Å; Y56-A153 HydrophobicContact CE2-CB 4.25Å
57Q98.8Very high97.5Very high66 Ų6647.3 Ų47.331%0.30825%0.252SS..EExtended strand (participates in β ladder)trans-79.8141.8175.8-66.2-169.7-2.400111.1G41 E42 I76 T77G41-Q57 CarbonylContact O-C 3.42Å; G41-Q57 WeakPolarHBondContact O-CA 3.47Å; E42-Q57 HydrophobicContact CG-CG 4.41Å; Q57-I76 HydrophobicContact CB-CB 4.06Å; Q57-I76 HydrophobicContact CB-CD1 4.5Å; Q57-I76 PolarHBondContact O-N 2.74Å; Q57-T77 PolarHBondContact N-OG1 2.78Å; Q57-T77 PolarHBondContact O-N 3.45Å
58L98.8Very high97.4Very high0 Ų050.2 Ų50.20%026%0.257CS..EExtended strand (participates in β ladder)trans-124.6135.2-176.7-56.4171.3000109.4R40 G41 I43 I60 V73 R74 F75 L110 L113R40-L58 CarbonylContact C-O 3.56Å; R40-L58 WeakPolarHBondContact CA-O 3.32Å; G41-L58 PolarHBondContact N-O 3.16Å; G41-L58 PolarHBondContact O-N 2.87Å; I43-L58 HydrophobicContact CD1-CD1 4.49Å; I43-L58 HydrophobicContact CG1-CD1 4.46Å; I43-L58 HydrophobicContact CG2-CD1 4.01Å; L58-I60 HydrophobicContact CB-CG1 4.33Å; L58-V73 HydrophobicContact CB-CG1 4.28Å; L58-V73 HydrophobicContact CD2-CG1 4.46Å; L58-R74 CarbonylContact C-O 3.57Å; L58-R74 WeakPolarHBondContact CA-O 3.34Å; L58-F75 HydrophobicContact CD2-CB 4.49Å; L58-F75 HydrophobicContact CD2-CD1 3.7Å; L58-F75 HydrophobicContact CD2-CD2 3.73Å; L58-F75 HydrophobicContact CD2-CE1 3.71Å; L58-F75 HydrophobicContact CD2-CE2 3.72Å; L58-F75 HydrophobicContact CD2-CG 3.71Å; L58-F75 HydrophobicContact CD2-CZ 3.72Å; L58-L110 HydrophobicContact CD1-CD2 3.56Å; L58-L113 HydrophobicContact CD1-CD1 3.69Å; L58-L113 HydrophobicContact CD2-CD1 4.48Å
59E98.5Very high97.5Very high38 Ų3846.6 Ų46.618%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-87126.8164.5-176-174.4-58.700107.4K61 V73 R74 I76E59-K61 WeakPolarHBondContact OE2-CE 3.46Å; E59-K61 IonicContact OE2-NZ 2.91Å; E59-K61 PolarHBondContact OE2-NZ 2.83Å; E59-V73 CarbonylContact O-C 3.58Å; E59-V73 VanDerWaalsContact O-CA 3.27Å; E59-V73 WeakPolarHBondContact O-CA 3.38Å; E59-R74 HydrophobicContact CB-CB 4.46Å; E59-R74 PolarHBondContact N-O 2.88Å; E59-R74 PolarHBondContact O-N 3.05Å; E59-R74 IonicContact OE1-CZ 2.86Å; E59-R74 IonicContact OE1-NE 3.94Å; E59-R74 IonicContact OE1-NH2 2.7Å; E59-R74 PolarHBondContact OE1-NH2 2.97Å; E59-I76 HydrophobicContact CB-CD1 3.92Å; E59-I76 HydrophobicContact CB-CG1 3.83Å
60I98.4Very high97.4Very high3 Ų346.9 Ų46.92%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-126.6112.8-179.7-58.2172000107.9E38 L39 L58 I62 P71 K72 V73 L106 L110E38-I60 WeakPolarHBondContact CA-O 3.33Å; L39-I60 HydrophobicContact CB-CB 4.08Å; L39-I60 HydrophobicContact CB-CG2 4.4Å; L39-I60 HydrophobicContact CD1-CG2 4.38Å; L39-I60 PolarHBondContact N-O 3.03Å; L39-I60 PolarHBondContact O-N 3.02Å; L58-I60 HydrophobicContact CB-CG1 4.33Å; I60-I62 HydrophobicContact CG2-CD1 3.93Å; I60-P71 HydrophobicContact CG2-CB 3.96Å; I60-K72 WeakPolarHBondContact CA-O 3.3Å; I60-V73 HydrophobicContact CG1-CG1 4.21Å; I60-V73 HydrophobicContact CG1-CG2 4.41Å; I60-L106 HydrophobicContact CG2-CD2 4.2Å; I60-L110 HydrophobicContact CD1-CD2 4.26Å
61K97.7Very high97.4Very high85 Ų8546 Ų4637%0.3723%0.234SC..EExtended strand (participates in β ladder)trans-107.9123.5177.1-74.2173.3172.91550110.5T37 E38 E59 P71 K72T37-K61 WeakPolarHBondContact O-CA 3.3Å; E38-K61 HydrophobicContact CG-CG 4.42Å; E59-K61 WeakPolarHBondContact OE2-CE 3.46Å; E59-K61 IonicContact OE2-NZ 2.91Å; E59-K61 PolarHBondContact OE2-NZ 2.83Å; K61-P71 WeakPolarHBondContact O-CA 3.4Å; K61-K72 HydrophobicContact CB-CB 4.24Å; K61-K72 PolarHBondContact N-O 2.7Å; K61-K72 PolarHBondContact O-N 2.7Å
62I96.9Very high97.4Very high13 Ų1353.2 Ų53.27%0.06727%0.265CS..  trans-89.1120.2-178.1-53.5-53.3000109.3M1 I9 F36 T37 L39 I60 Y66 P71 L106M1-I62 HydrophobicContact CE-CB 4.02Å; M1-I62 HydrophobicContact CE-CG2 3.84Å; M1-I62 HydrophobicContact SD-CG2 4.44Å; I9-I62 HydrophobicContact CD1-CD1 3.73Å; I9-I62 HydrophobicContact CD1-CG1 3.91Å; I9-I62 HydrophobicContact CD1-CG2 3.93Å; I9-I62 HydrophobicContact CG1-CG1 4.33Å; I9-I62 HydrophobicContact CG1-CG2 4.04Å; F36-I62 WeakPolarHBondContact O-CG1 3.47Å; T37-I62 PolarHBondContact O-N 2.98Å; L39-I62 HydrophobicContact CD1-CD1 4.05Å; L39-I62 HydrophobicContact CD1-CG1 4.18Å; I60-I62 HydrophobicContact CG2-CD1 3.93Å; I62-Y66 HydrophobicContact CG2-CD1 4.19Å; I62-Y66 HydrophobicContact CG2-CD2 4.26Å; I62-Y66 HydrophobicContact CG2-CG 3.74Å; I62-P71 HydrophobicContact CD1-CB 3.92Å; I62-L106 HydrophobicContact CD1-CD2 4.23Å
63P96Very high97.4Very high31 Ų3149.3 Ų49.320%0.20125%0.248CC..  trans-71.3157.4176.431.4-36.4000111.1T65 Y66 N69 P70P63-T65 PolarHBondContact O-N 2.98Å; P63-Y66 VanDerWaalsContact O-CB 3.26Å; P63-Y66 WeakPolarHBondContact O-CB 3.39Å; P63-Y66 PolarHBondContact O-N 3.01Å; P63-N69 HydrophobicContact CG-CB 4.26Å; P63-P70 WeakPolarHBondContact CG-O 3.37Å
64E93.8Very high97.4Very high157 Ų15750.9 Ų50.973%0.73424%0.239SC*.THydrogen-bonded Turntrans-61.9-25.6175.9-60.6-165.4145.600113.3Y66E64-Y66 VanDerWaalsContact C-N 3.29Å
65T95.3Very high97.4Very high70 Ų7051 Ų5143%0.42924%0.239SC..THydrogen-bonded Turntrans-86.14.5178.854.30000113.5P63 F68 N69P63-T65 PolarHBondContact O-N 2.98Å; T65-F68 WeakPolarHBondContact O-CB 3.32Å; T65-F68 PolarHBondContact O-N 3.34Å; T65-N69 WeakPolarHBondContact CB-OD1 3.49Å; T65-N69 PolarHBondContact O-N 3.45Å; T65-N69 WeakPolarHBondContact OG1-CB 3.41Å; T65-N69 PolarHBondContact OG1-OD1 3.26Å
66Y96.5Very high97.4Very high1 Ų148.9 Ų48.90%0.00423%0.234CC..THydrogen-bonded Turntrans-58.4131.8174.5-167.8-96.8000109.9A5 R8 I9 E12 I62 P63 E64 N69 W100A5-Y66 VanDerWaalsContact CB-O 3.25Å; A5-Y66 WeakPolarHBondContact CB-O 3.28Å; R8-Y66 HydrophobicContact CB-CE1 4.35Å; R8-Y66 HydrophobicContact CG-CE1 3.82Å; I9-Y66 HydrophobicContact CD1-CD1 3.61Å; I9-Y66 HydrophobicContact CD1-CE1 3.35Å; I9-Y66 HydrophobicContact CD1-CG 4.32Å; I9-Y66 HydrophobicContact CG1-CD1 4.02Å; I9-Y66 HydrophobicContact CG1-CE1 4.09Å; E12-Y66 VanDerWaalsContact CD-OH 3.26Å; E12-Y66 PolarHBondContact OE1-OH 3.23Å; E12-Y66 PolarHBondContact OE2-OH 3.32Å; I62-Y66 HydrophobicContact CG2-CD1 4.19Å; I62-Y66 HydrophobicContact CG2-CD2 4.26Å; I62-Y66 HydrophobicContact CG2-CG 3.74Å; P63-Y66 VanDerWaalsContact O-CB 3.26Å; P63-Y66 WeakPolarHBondContact O-CB 3.39Å; P63-Y66 PolarHBondContact O-N 3.01Å; E64-Y66 VanDerWaalsContact C-N 3.29Å; Y66-N69 WeakPolarHBondContact CD2-O 3.42Å; Y66-W100 HydrophobicContact CD2-CZ2 4.37Å; Y66-W100 AromaticContact CE2-CH2 3.86Å; Y66-W100 HydrophobicContact CE2-CH2 3.86Å; Y66-W100 AromaticContact CE2-CZ2 3.58Å; Y66-W100 HydrophobicContact CE2-CZ2 3.58Å
67P96.1Very high97.4Very high5 Ų549.7 Ų49.73%0.03224%0.239CC..THydrogen-bonded Turncis-101.313.412.938.2-35.9000116.6R8 N69 W100 A102R8-P67 VanDerWaalsContact CD-CB 3.41Å; R8-P67 VanDerWaalsContact NE-CB 3.25Å; P67-N69 VanDerWaalsContact C-N 3.26Å; P67-N69 PolarHBondContact O-N 2.9Å; P67-W100 PolarHBondContact O-NE1 3.17Å; P67-A102 WeakPolarHBondContact O-CB 3.29Å
68F95.8Very high97.4Very high141 Ų14150.3 Ų50.362%0.61824%0.241SC*.THydrogen-bonded Turntrans-75.9-20.4-179-53.9-69.1000112.1T65T65-F68 WeakPolarHBondContact O-CB 3.32Å; T65-F68 PolarHBondContact O-N 3.34Å
69N96.6Very high97.4Very high79 Ų7950.4 Ų50.442%0.42224%0.242SC..SBendtrans-120151.5169.4-65.3107.4000111.5P63 T65 Y66 P67P63-N69 HydrophobicContact CG-CB 4.26Å; T65-N69 WeakPolarHBondContact CB-OD1 3.49Å; T65-N69 PolarHBondContact O-N 3.45Å; T65-N69 WeakPolarHBondContact OG1-CB 3.41Å; T65-N69 PolarHBondContact OG1-OD1 3.26Å; Y66-N69 WeakPolarHBondContact CD2-O 3.42Å; P67-N69 VanDerWaalsContact C-N 3.26Å; P67-N69 PolarHBondContact O-N 2.9Å
70P97.6Very high97.4Very high22 Ų2248.8 Ų48.814%0.14323%0.234CC..  trans-67.7155.9-179.226.7-33.7000112.3P63 L96 W100P63-P70 WeakPolarHBondContact CG-O 3.37Å; P70-L96 WeakPolarHBondContact CG-O 3.38Å; P70-W100 HydrophobicContact CB-CB 4Å; P70-W100 HydrophobicContact CB-CD2 3.56Å; P70-W100 HydrophobicContact CB-CE3 3.64Å; P70-W100 HydrophobicContact CB-CG 3.72Å; P70-W100 HydrophobicContact CB-CZ3 4.32Å; P70-W100 HydrophobicContact CG-CB 4.02Å; P70-W100 HydrophobicContact CG-CD2 4.43Å; P70-W100 HydrophobicContact CG-CG 4.08Å
71P97.8Very high97.4Very high3 Ų348.6 Ų48.62%0.01923%0.233CC..  trans-64.1147.416630.9-34.2000110.3I60 K61 I62 V73 V109I60-P71 HydrophobicContact CG2-CB 3.96Å; K61-P71 WeakPolarHBondContact O-CA 3.4Å; I62-P71 HydrophobicContact CD1-CB 3.92Å; P71-V73 HydrophobicContact CB-CG2 4.33Å; P71-V73 HydrophobicContact CG-CG2 4.12Å; P71-V73 PolarHBondContact O-N 2.88Å; P71-V109 HydrophobicContact CG-CG2 4.4Å
72K97.9Very high97.4Very high157 Ų15744.6 Ų44.668%0.68322%0.216SC*.EExtended strand (participates in β ladder)trans-83.1115.7169.2-65.4-177.2-180-178.80108.3I60 K61I60-K72 WeakPolarHBondContact CA-O 3.3Å; K61-K72 HydrophobicContact CB-CB 4.24Å; K61-K72 PolarHBondContact N-O 2.7Å; K61-K72 PolarHBondContact O-N 2.7Å
73V98.4Very high97.5Very high17 Ų1744.1 Ų44.110%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-115.2138.3-177.9-169.90000109.9L58 E59 I60 P71 I91 L96 V109 L113L58-V73 HydrophobicContact CB-CG1 4.28Å; L58-V73 HydrophobicContact CD2-CG1 4.46Å; E59-V73 CarbonylContact O-C 3.58Å; E59-V73 VanDerWaalsContact O-CA 3.27Å; E59-V73 WeakPolarHBondContact O-CA 3.38Å; I60-V73 HydrophobicContact CG1-CG1 4.21Å; I60-V73 HydrophobicContact CG1-CG2 4.41Å; P71-V73 HydrophobicContact CB-CG2 4.33Å; P71-V73 HydrophobicContact CG-CG2 4.12Å; P71-V73 PolarHBondContact O-N 2.88Å; V73-I91 HydrophobicContact CB-CD1 4.03Å; V73-I91 HydrophobicContact CG1-CD1 3.77Å; V73-L96 HydrophobicContact CB-CD1 4.03Å; V73-L96 HydrophobicContact CG2-CD1 4.25Å; V73-L96 HydrophobicContact CG2-CD2 3.92Å; V73-V109 HydrophobicContact CG2-CG1 4.11Å; V73-L113 HydrophobicContact CG1-CD1 3.82Å
74R98.4Very high97.7Very high82 Ų8242.7 Ų42.731%0.30920%0.204SC..EExtended strand (participates in β ladder)trans-142.1142.8174.6-170.1-175.666.273.34.6110.3L58 E59 I76 T88 G89L58-R74 CarbonylContact C-O 3.57Å; L58-R74 WeakPolarHBondContact CA-O 3.34Å; E59-R74 HydrophobicContact CB-CB 4.46Å; E59-R74 PolarHBondContact N-O 2.88Å; E59-R74 PolarHBondContact O-N 3.05Å; E59-R74 IonicContact OE1-CZ 2.86Å; E59-R74 IonicContact OE1-NE 3.94Å; E59-R74 IonicContact OE1-NH2 2.7Å; E59-R74 PolarHBondContact OE1-NH2 2.97Å; R74-I76 PolarHBondContact O-N 3.23Å; R74-T88 WeakPolarHBondContact CD-O 3.49Å; R74-T88 VanDerWaalsContact CG-O 3.3Å; R74-T88 WeakPolarHBondContact CG-O 3.29Å; R74-T88 PolarHBondContact NH1-O 2.86Å; R74-G89 WeakPolarHBondContact CA-O 3.32Å; R74-G89 VanDerWaalsContact CG-C 3.45Å; R74-G89 VanDerWaalsContact CG-O 3.3Å; R74-G89 WeakPolarHBondContact CG-O 3.46Å
75F98.8Very high97.9Very high2 Ų236 Ų361%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-70.5124.3170.6-81.3-104.2000110.6I43 Y56 L58 I79 I84 G89 I91 L113 L117I43-F75 HydrophobicContact CD1-CE1 4.32Å; I43-F75 HydrophobicContact CD1-CZ 4.12Å; Y56-F75 HydrophobicContact CD1-CD1 4.45Å; Y56-F75 HydrophobicContact CD1-CE1 4.36Å; Y56-F75 HydrophobicContact CG-CE1 4.2Å; L58-F75 HydrophobicContact CD2-CB 4.49Å; L58-F75 HydrophobicContact CD2-CD1 3.7Å; L58-F75 HydrophobicContact CD2-CD2 3.73Å; L58-F75 HydrophobicContact CD2-CE1 3.71Å; L58-F75 HydrophobicContact CD2-CE2 3.72Å; L58-F75 HydrophobicContact CD2-CG 3.71Å; L58-F75 HydrophobicContact CD2-CZ 3.72Å; F75-I79 HydrophobicContact CB-CG2 4.44Å; F75-I79 HydrophobicContact CD1-CG2 4.04Å; F75-I79 HydrophobicContact CE1-CD1 4.13Å; F75-I79 HydrophobicContact CG-CG2 4.18Å; F75-I84 HydrophobicContact CB-CG2 4.25Å; F75-I84 HydrophobicContact CD2-CD1 3.85Å; F75-I84 HydrophobicContact CD2-CG1 4.22Å; F75-I84 HydrophobicContact CD2-CG2 3.75Å; F75-I84 HydrophobicContact CE1-CD1 4.17Å; F75-I84 HydrophobicContact CE2-CD1 3.34Å; F75-I84 HydrophobicContact CE2-CG1 3.99Å; F75-I84 HydrophobicContact CE2-CG2 4.37Å; F75-I84 HydrophobicContact CG-CD1 4.46Å; F75-I84 HydrophobicContact CG-CG2 4.09Å; F75-I84 HydrophobicContact CZ-CD1 3.52Å; F75-G89 PolarHBondContact N-O 2.76Å; F75-I91 HydrophobicContact CD2-CD1 3.57Å; F75-I91 HydrophobicContact CD2-CG1 3.64Å; F75-I91 HydrophobicContact CE2-CD1 3.6Å; F75-I91 HydrophobicContact CE2-CG1 3.86Å; F75-L113 HydrophobicContact CE2-CD2 4.38Å; F75-L117 HydrophobicContact CZ-CD2 4.4Å
76I98.6Very high98Very high53 Ų5333.4 Ų33.427%0.27216%0.159SC..SBendtrans-82.4-45.8168.9-58.3176.4000108.6R40 Q57 E59 R74 K78R40-I76 VanDerWaalsContact CZ-CD1 3.48Å; R40-I76 VanDerWaalsContact NH1-CD1 3.3Å; Q57-I76 HydrophobicContact CB-CB 4.06Å; Q57-I76 HydrophobicContact CB-CD1 4.5Å; Q57-I76 PolarHBondContact O-N 2.74Å; E59-I76 HydrophobicContact CB-CD1 3.92Å; E59-I76 HydrophobicContact CB-CG1 3.83Å; R74-I76 PolarHBondContact O-N 3.23Å; I76-K78 PolarHBondContact O-N 3.36Å
77T98.7Very high98Very high18 Ų1838.7 Ų38.711%0.1119%0.192CC..SBendtrans-68.4123172.9-59.20000109.7Y56 Q57 I79 Y152 A153Y56-T77 HydrophobicContact CD1-CG2 3.82Å; Y56-T77 HydrophobicContact CE1-CG2 4.4Å; Q57-T77 PolarHBondContact N-OG1 2.78Å; Q57-T77 PolarHBondContact O-N 3.45Å; T77-I79 PolarHBondContact O-N 2.97Å; T77-Y152 VanDerWaalsContact CG2-O 3.3Å; T77-Y152 WeakPolarHBondContact CG2-O 3.48Å; T77-A153 HydrophobicContact CG2-CB 3.93Å
78K98.6Very high98.1Very high79 Ų7941.9 Ų41.934%0.34321%0.211SC..  trans-58.2136.5174.1-75176.1174.7-73.90110.4I76 W148 Y152I76-K78 PolarHBondContact O-N 3.36Å; K78-W148 HydrophobicContact CB-CE3 4.12Å; K78-W148 HydrophobicContact CB-CZ3 3.96Å; K78-Y152 HydrophobicContact CB-CD1 4.06Å; K78-Y152 HydrophobicContact CB-CD2 3.69Å; K78-Y152 HydrophobicContact CB-CE1 4.39Å; K78-Y152 HydrophobicContact CB-CE2 4.05Å; K78-Y152 HydrophobicContact CB-CG 3.69Å; K78-Y152 HydrophobicContact CD-CD1 4.05Å; K78-Y152 HydrophobicContact CD-CE1 3.69Å; K78-Y152 HydrophobicContact CD-CE2 4.24Å; K78-Y152 HydrophobicContact CD-CG 4.48Å; K78-Y152 WeakPolarHBondContact O-CB 3.48Å
79I98.8Very high98.2Very high2 Ų235.4 Ų35.41%0.0118%0.184CC..  trans-144.2147.1-177.1-169.4171.9000110.5Y51 Y56 F75 T77 H81 I84 L117Y51-I79 HydrophobicContact CD1-CD1 3.91Å; Y51-I79 HydrophobicContact CD1-CG1 4.09Å; Y51-I79 HydrophobicContact CE1-CD1 3.83Å; Y51-I79 HydrophobicContact CE1-CG1 3.74Å; Y56-I79 HydrophobicContact CD1-CB 4.35Å; Y56-I79 HydrophobicContact CD1-CD1 3.83Å; Y56-I79 HydrophobicContact CD1-CG1 4.3Å; Y56-I79 HydrophobicContact CE1-CB 4.26Å; Y56-I79 HydrophobicContact CE1-CD1 3.65Å; Y56-I79 HydrophobicContact CE1-CG1 3.89Å; F75-I79 HydrophobicContact CB-CG2 4.44Å; F75-I79 HydrophobicContact CD1-CG2 4.04Å; F75-I79 HydrophobicContact CE1-CD1 4.13Å; F75-I79 HydrophobicContact CG-CG2 4.18Å; T77-I79 PolarHBondContact O-N 2.97Å; I79-H81 HydrophobicContact CD1-CB 4.46Å; I79-H81 HydrophobicContact CG1-CB 4.35Å; 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 3.49Å; I79-I84 VanDerWaalsContact CG2-CG2 3.49Å; 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
80W98.8Very high98.3Very high4 Ų433.2 Ų33.22%0.01518%0.177CC..  trans-104.297.6174.2-163.3-106.6000109Y51 V129 V130 F141 T144 A145 W148Y51-W80 WeakPolarHBondContact CE1-O 3.31Å; Y51-W80 PolarHBondContact OH-O 3.35Å; W80-V129 HydrophobicContact CH2-CG1 4.38Å; W80-V130 HydrophobicContact CD2-CG1 4.21Å; W80-V130 HydrophobicContact CD2-CG2 3.69Å; W80-V130 HydrophobicContact CE3-CG2 3.75Å; W80-V130 HydrophobicContact CG-CG1 4.14Å; W80-V130 HydrophobicContact CG-CG2 4.39Å; W80-V130 HydrophobicContact CH2-CG2 3.78Å; W80-V130 HydrophobicContact CZ2-CB 4.41Å; W80-V130 HydrophobicContact CZ2-CG2 3.72Å; W80-V130 HydrophobicContact CZ3-CG2 3.79Å; W80-F141 AromaticContact CD1-CD2 3.79Å; 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 4.34Å; W80-A145 HydrophobicContact CB-CB 4.36Å; W80-W148 HydrophobicContact CB-CB 4.03Å; W80-W148 HydrophobicContact CB-CD2 3.8Å; W80-W148 HydrophobicContact CB-CE3 4.21Å; W80-W148 HydrophobicContact CB-CG 3.72Å; W80-W148 HydrophobicContact CD2-CZ2 4.31Å; W80-W148 HydrophobicContact CE3-CD2 4.07Å; W80-W148 AromaticContact CE3-CE2 3.47Å; W80-W148 VanDerWaalsContact CE3-CE2 3.47Å; W80-W148 HydrophobicContact CE3-CE3 4.39Å; W80-W148 AromaticContact CE3-CH2 3.69Å; W80-W148 HydrophobicContact CE3-CH2 3.69Å; W80-W148 AromaticContact CE3-CZ2 3.28Å; W80-W148 HydrophobicContact CE3-CZ2 3.28Å; W80-W148 HydrophobicContact CE3-CZ3 4.21Å; W80-W148 AromaticContact CE3-NE1 3.93Å; W80-W148 HydrophobicContact CG-CD2 4.48Å; W80-W148 HydrophobicContact CG-CG 4.48Å; W80-W148 AromaticContact CZ3-CH2 3.98Å; W80-W148 HydrophobicContact CZ3-CH2 3.98Å; W80-W148 AromaticContact CZ3-CZ2 3.54Å; W80-W148 HydrophobicContact CZ3-CZ2 3.54Å
81H98.8Very high98.3Very high0 Ų033 Ų330%017%0.174CC..BIsolated β-bridgetrans-148.8139.4-176.9-173.9-81.8000110.8Y51 I79 N83 I84 L116 V130Y51-H81 AromaticContact CE2-CD2 3.84Å; Y51-H81 AromaticContact CZ-CD2 3.7Å; Y51-H81 PolarHBondContact OH-CD2 3.21Å; I79-H81 HydrophobicContact CD1-CB 4.46Å; I79-H81 HydrophobicContact CG1-CB 4.35Å; H81-N83 VanDerWaalsContact C-N 3.29Å; H81-N83 PolarHBondContact CE1-OD1 3.43Å; H81-N83 VanDerWaalsContact CE1-OD1 3.24Å; H81-N83 PolarHBondContact ND1-N 3.2Å; H81-N83 PolarHBondContact O-N 3.42Å; H81-I84 HydrophobicContact CB-CB 4.16Å; H81-I84 HydrophobicContact CB-CD1 3.96Å; H81-I84 HydrophobicContact CB-CG1 4.24Å; H81-I84 PolarHBondContact O-N 2.98Å; H81-I84 VanDerWaalsContact O-N 3.1Å; H81-L116 PolarHBondContact NE2-O 2.86Å; H81-V130 VanDerWaalsContact C-CG1 3.43Å
82P98.6Very high98.2Very high0 Ų033.2 Ų33.20%018%0.176CC..THydrogen-bonded Turntrans-55.9-39.2-176.5-28.737.2000114.4A120 P122 Q126 D127 V130 A131 Y134 F141P82-A120 HydrophobicContact CB-CB 4.44Å; P82-A120 HydrophobicContact CG-CB 3.91Å; P82-P122 HydrophobicContact CB-CB 4.38Å; P82-Q126 PolarHBondContact O-N 3.32Å; P82-D127 PolarHBondContact O-N 3.2Å; P82-V130 HydrophobicContact CG-CG1 4.32Å; P82-A131 HydrophobicContact CB-CB 4.02Å; P82-Y134 HydrophobicContact CG-CD2 3.77Å; P82-Y134 HydrophobicContact CG-CE2 4.47Å; P82-Y134 HydrophobicContact CG-CG 3.85Å; P82-F141 HydrophobicContact CG-CE2 4.32Å
83N98.6Very high97.9Very high4 Ų426.9 Ų26.92%0.02115%0.149CC..THydrogen-bonded Turntrans-92.39.8-178.9-49.493.9000114.4H81 C92 L116 E121 D124 Q126H81-N83 VanDerWaalsContact C-N 3.29Å; H81-N83 PolarHBondContact CE1-OD1 3.43Å; H81-N83 VanDerWaalsContact CE1-OD1 3.24Å; H81-N83 PolarHBondContact ND1-N 3.2Å; H81-N83 PolarHBondContact O-N 3.42Å; N83-C92 HydrophobicContact CB-CB 4.38Å; N83-C92 PolarHBondContact O-N 2.93Å; N83-L116 HydrophobicContact CB-CD1 4.04Å; N83-L116 HydrophobicContact CB-CD2 4.16Å; N83-L116 HydrophobicContact CB-CG 4.44Å; N83-E121 PolarHBondContact ND2-O 3.23Å; N83-E121 PolarHBondContact OD1-N 2.79Å; N83-D124 PolarHBondContact ND2-O 2.93Å; N83-Q126 VanDerWaalsContact O-CB 3.29Å; N83-Q126 WeakPolarHBondContact O-CB 3.05Å
84I98.7Very high97.6Very high0 Ų029.8 Ų29.80%016%0.164CC..BIsolated β-bridgetrans-132.5128.9177-53.3162.4000109.6F75 I79 H81 S86 A90 L117F75-I84 HydrophobicContact CB-CG2 4.25Å; F75-I84 HydrophobicContact CD2-CD1 3.85Å; F75-I84 HydrophobicContact CD2-CG1 4.22Å; F75-I84 HydrophobicContact CD2-CG2 3.75Å; F75-I84 HydrophobicContact CE1-CD1 4.17Å; F75-I84 HydrophobicContact CE2-CD1 3.34Å; F75-I84 HydrophobicContact CE2-CG1 3.99Å; F75-I84 HydrophobicContact CE2-CG2 4.37Å; F75-I84 HydrophobicContact CG-CD1 4.46Å; F75-I84 HydrophobicContact CG-CG2 4.09Å; F75-I84 HydrophobicContact CZ-CD1 3.52Å; 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 3.49Å; I79-I84 VanDerWaalsContact CG2-CG2 3.49Å; H81-I84 HydrophobicContact CB-CB 4.16Å; H81-I84 HydrophobicContact CB-CD1 3.96Å; H81-I84 HydrophobicContact CB-CG1 4.24Å; H81-I84 PolarHBondContact O-N 2.98Å; H81-I84 VanDerWaalsContact O-N 3.1Å; I84-S86 PolarHBondContact O-N 2.86Å; I84-A90 CarbonylContact C-O 3.58Å; I84-A90 VanDerWaalsContact CA-O 3.29Å; I84-A90 WeakPolarHBondContact CA-O 3.34Å; I84-L117 HydrophobicContact CD1-CD2 3.77Å
85S98.5Very high97.4Very high17 Ų1726.6 Ų26.612%0.11915%0.153CC..  trans-63.2123.2179.4175.50000111.1V87 T88 G89 A90S85-V87 PolarHBondContact O-N 2.92Å; S85-V87 PolarHBondContact OG-N 3.46Å; S85-T88 WeakPolarHBondContact CB-OG1 3.4Å; S85-T88 PolarHBondContact OG-N 2.96Å; S85-T88 VanDerWaalsContact OG-N 3.16Å; S85-T88 PolarHBondContact OG-OG1 3.49Å; S85-G89 WeakPolarHBondContact O-CA 3.35Å; S85-G89 PolarHBondContact O-N 3.06Å; S85-A90 PolarHBondContact N-O 2.68Å
86S97.9Very high97.2Very high16 Ų1627.8 Ų27.811%0.11216%0.159CC..THydrogen-bonded Turntrans-64.6-20176.761.50000113.7I84 D127I84-S86 PolarHBondContact O-N 2.86Å; S86-D127 VanDerWaalsContact CB-OD2 3.29Å; S86-D127 WeakPolarHBondContact CB-OD2 3.32Å; S86-D127 PolarHBondContact N-OD2 3.14Å; S86-D127 PolarHBondContact OG-OD2 2.9Å
87V97.3Very high96.8Very high112 Ų11230.1 Ų30.168%0.67917%0.168SC*.THydrogen-bonded Turntrans-94-52-179.2-179.30000111.4S85S85-V87 PolarHBondContact O-N 2.92Å; S85-V87 PolarHBondContact OG-N 3.46Å
88T97.6Very high96.5Very high71 Ų7134.9 Ų34.944%0.43619%0.193SC..THydrogen-bonded Turntrans-103.3-21.1-168.964.20000113.8R74 S85 A90R74-T88 WeakPolarHBondContact CD-O 3.49Å; R74-T88 VanDerWaalsContact CG-O 3.3Å; R74-T88 WeakPolarHBondContact CG-O 3.29Å; R74-T88 PolarHBondContact NH1-O 2.86Å; S85-T88 WeakPolarHBondContact CB-OG1 3.4Å; S85-T88 PolarHBondContact OG-N 2.96Å; S85-T88 VanDerWaalsContact OG-N 3.16Å; S85-T88 PolarHBondContact OG-OG1 3.49Å; T88-A90 PolarHBondContact O-N 3.17Å; T88-A90 WeakPolarHBondContact OG1-CB 3.47Å; T88-A90 PolarHBondContact OG1-N 3.31Å
89G98.2Very high96.4Very high6 Ų636.2 Ų36.26%0.06220%0.2CC..  trans73.810.3-169.700000114.2R74 F75 S85R74-G89 WeakPolarHBondContact CA-O 3.32Å; R74-G89 VanDerWaalsContact CG-C 3.45Å; R74-G89 VanDerWaalsContact CG-O 3.3Å; R74-G89 WeakPolarHBondContact CG-O 3.46Å; F75-G89 PolarHBondContact N-O 2.76Å; S85-G89 WeakPolarHBondContact O-CA 3.35Å; S85-G89 PolarHBondContact O-N 3.06Å
90A97.9Very high96.3Very high32 Ų3237.5 Ų37.526%0.26421%0.205SC..  trans-58.1147171.100000110.6I84 S85 T88 Q126I84-A90 CarbonylContact C-O 3.58Å; I84-A90 VanDerWaalsContact CA-O 3.29Å; I84-A90 WeakPolarHBondContact CA-O 3.34Å; S85-A90 PolarHBondContact N-O 2.68Å; T88-A90 PolarHBondContact O-N 3.17Å; T88-A90 WeakPolarHBondContact OG1-CB 3.47Å; T88-A90 PolarHBondContact OG1-N 3.31Å; A90-Q126 WeakPolarHBondContact O-CG 3.41Å
91I98Very high96.3Very high18 Ų1839.4 Ų39.49%0.09222%0.221CC..BIsolated β-bridgetrans-119.3130.3-170.2-54.2168000109.4V73 F75 L93 L96 L113 L116V73-I91 HydrophobicContact CB-CD1 4.03Å; V73-I91 HydrophobicContact CG1-CD1 3.77Å; F75-I91 HydrophobicContact CD2-CD1 3.57Å; F75-I91 HydrophobicContact CD2-CG1 3.64Å; F75-I91 HydrophobicContact CE2-CD1 3.6Å; F75-I91 HydrophobicContact CE2-CG1 3.86Å; I91-L93 HydrophobicContact CG2-CB 3.92Å; I91-L96 HydrophobicContact CB-CD1 4.31Å; I91-L96 HydrophobicContact CD1-CD1 4.32Å; I91-L96 HydrophobicContact CG2-CD1 4.15Å; I91-L113 HydrophobicContact CD1-CD2 3.81Å; I91-L113 HydrophobicContact CG2-CD2 3.94Å; I91-L116 HydrophobicContact CG2-CD2 4.11Å
92C94.3Very high96.1Very high8 Ų841.5 Ų41.55%0.05424%0.239CC..  trans-96100.1164.8-170.20000108.8N83 K97 D124 Q126N83-C92 HydrophobicContact CB-CB 4.38Å; N83-C92 PolarHBondContact O-N 2.93Å; C92-K97 PolarHBondContact SG-NZ 3.42Å; C92-D124 PolarHBondContact SG-OD2 3.4Å; C92-D124 VanDerWaalsContact SG-OD2 3.37Å; C92-Q126 HydrophobicContact CB-CB 3.78Å; C92-Q126 HydrophobicContact CB-CG 4.43Å
93L93.3Very high96Very high23 Ų2345.8 Ų45.812%0.1227%0.274CS..  trans-146.4131.5174.2-175.565.3000108.7I91 I95 L96 L113 L116I91-L93 HydrophobicContact CG2-CB 3.92Å; L93-I95 HydrophobicContact CD2-CD1 4Å; L93-I95 HydrophobicContact CD2-CG1 3.67Å; L93-I95 HydrophobicContact CG-CG1 3.91Å; L93-I95 PolarHBondContact O-N 3.13Å; L93-L96 HydrophobicContact CB-CD1 4.32Å; L93-L96 HydrophobicContact CB-CG 4.41Å; L93-L96 HydrophobicContact CD2-CD1 4.49Å; L93-L96 HydrophobicContact CD2-CG 4.44Å; L93-L96 PolarHBondContact O-N 2.85Å; L93-L96 VanDerWaalsContact O-N 3.09Å; L93-L113 HydrophobicContact CD2-CD2 3.96Å; L93-L116 HydrophobicContact CB-CD2 4.42Å; L93-L116 HydrophobicContact CD1-CD1 4.37Å; L93-L116 HydrophobicContact CD1-CD2 4.35Å
94D91.5Very high96Very high78 Ų7847.6 Ų47.642%0.41728%0.282SS..G310 helixtrans-59.1-40.5-173.965.1-25000113.5L96 K97 D98 Q99D94-L96 PolarHBondContact O-N 2.9Å; D94-K97 CarbonylContact O-C 3.42Å; D94-K97 WeakPolarHBondContact O-CA 3.39Å; D94-K97 PolarHBondContact O-N 3.16Å; D94-D98 PolarHBondContact O-N 3.2Å; D94-Q99 HydrophobicContact CB-CB 4.01Å; D94-Q99 HydrophobicContact CB-CG 3.75Å; D94-Q99 PolarHBondContact O-N 3.48Å
95I94.1Very high95.9Very high16 Ų1648.2 Ų48.28%0.08229%0.287CS..G310 helixtrans-66.5-18.4178.372.8168.5000112.9L93 K97 W100 M104 V109 S112L93-I95 HydrophobicContact CD2-CD1 4Å; L93-I95 HydrophobicContact CD2-CG1 3.67Å; L93-I95 HydrophobicContact CG-CG1 3.91Å; L93-I95 PolarHBondContact O-N 3.13Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-W100 WeakPolarHBondContact O-CB 3.42Å; I95-M104 HydrophobicContact CB-CE 4.04Å; I95-M104 HydrophobicContact CB-SD 3.85Å; I95-M104 HydrophobicContact CG2-CE 3.66Å; I95-M104 HydrophobicContact CG2-SD 4.14Å; I95-V109 HydrophobicContact CD1-CG2 4.36Å; I95-S112 VanDerWaalsContact CD1-CB 3.46Å; I95-S112 WeakPolarHBondContact CD1-OG 3.33Å
96L94.1Very high95.9Very high26 Ų2647.5 Ų47.514%0.13628%0.281CS..G310 helixtrans-91.72.3174.2-60.2-179.6000112.2P70 V73 I91 L93 D94 V109 L113P70-L96 WeakPolarHBondContact CG-O 3.38Å; V73-L96 HydrophobicContact CB-CD1 4.03Å; V73-L96 HydrophobicContact CG2-CD1 4.25Å; V73-L96 HydrophobicContact CG2-CD2 3.92Å; I91-L96 HydrophobicContact CB-CD1 4.31Å; I91-L96 HydrophobicContact CD1-CD1 4.32Å; I91-L96 HydrophobicContact CG2-CD1 4.15Å; L93-L96 HydrophobicContact CB-CD1 4.32Å; L93-L96 HydrophobicContact CB-CG 4.41Å; L93-L96 HydrophobicContact CD2-CD1 4.49Å; L93-L96 HydrophobicContact CD2-CG 4.44Å; L93-L96 PolarHBondContact O-N 2.85Å; L93-L96 VanDerWaalsContact O-N 3.09Å; D94-L96 PolarHBondContact O-N 2.9Å; L96-V109 HydrophobicContact CD2-CG1 4.08Å; L96-L113 HydrophobicContact CD1-CD2 4.44Å
97K91.6Very high95.9Very high102 Ų10250 Ų5044%0.44329%0.288SS..THydrogen-bonded Turntrans-125.5-107.6-178.9-62.5177.9-176.4175.80109.9C92 D94 I95C92-K97 PolarHBondContact SG-NZ 3.42Å; D94-K97 CarbonylContact O-C 3.42Å; D94-K97 WeakPolarHBondContact O-CA 3.39Å; D94-K97 PolarHBondContact O-N 3.16Å; I95-K97 VanDerWaalsContact C-N 3.31Å
98D92.3Very high96Very high119 Ų11946.9 Ų46.964%0.63627%0.27SS*.THydrogen-bonded Turntrans-93.1-20.1-169.760.4-62.3000113.9D94 W100D94-D98 PolarHBondContact O-N 3.2Å; D98-W100 VanDerWaalsContact C-N 3.3Å; D98-W100 PolarHBondContact O-N 2.65Å
99Q95.3Very high96Very high106 Ų10643.6 Ų43.650%0.49525%0.25SC..SBendtrans-91.913.7177.5-59.2-58.1-46.300113.1D94 A101 M104D94-Q99 HydrophobicContact CB-CB 4.01Å; D94-Q99 HydrophobicContact CB-CG 3.75Å; D94-Q99 PolarHBondContact O-N 3.48Å; Q99-A101 PolarHBondContact O-N 2.95Å; Q99-M104 VanDerWaalsContact O-CE 3.31Å; Q99-M104 WeakPolarHBondContact O-CE 3.43Å
100W97.7Very high96Very high30 Ų3043.3 Ų43.311%0.11425%0.247CC..  trans-65.5122.5175.7175.8-104.6000111Y66 P67 P70 I95 D98 M104 V109Y66-W100 HydrophobicContact CD2-CZ2 4.37Å; Y66-W100 AromaticContact CE2-CH2 3.86Å; Y66-W100 HydrophobicContact CE2-CH2 3.86Å; Y66-W100 AromaticContact CE2-CZ2 3.58Å; Y66-W100 HydrophobicContact CE2-CZ2 3.58Å; P67-W100 PolarHBondContact O-NE1 3.17Å; P70-W100 HydrophobicContact CB-CB 4Å; P70-W100 HydrophobicContact CB-CD2 3.56Å; P70-W100 HydrophobicContact CB-CE3 3.64Å; P70-W100 HydrophobicContact CB-CG 3.72Å; P70-W100 HydrophobicContact CB-CZ3 4.32Å; P70-W100 HydrophobicContact CG-CB 4.02Å; P70-W100 HydrophobicContact CG-CD2 4.43Å; P70-W100 HydrophobicContact CG-CG 4.08Å; I95-W100 WeakPolarHBondContact O-CB 3.42Å; D98-W100 VanDerWaalsContact C-N 3.3Å; D98-W100 PolarHBondContact O-N 2.65Å; W100-M104 HydrophobicContact CD2-SD 4.43Å; W100-M104 HydrophobicContact CE3-CB 3.99Å; 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 3.5Å; W100-M104 VanDerWaalsContact CZ3-CB 3.5Å; W100-M104 HydrophobicContact CZ3-CG 4.39Å; W100-M104 HydrophobicContact CZ3-SD 4.05Å; W100-V109 HydrophobicContact CH2-CG2 4.46Å; W100-V109 HydrophobicContact CZ3-CG2 3.77Å
101A97.1Very high96.1Very high43 Ų4343.9 Ų43.936%0.35525%0.245SC..  trans-105.4135.7169.300000110.1Q99 A103 M104Q99-A101 PolarHBondContact O-N 2.95Å; A101-A103 PolarHBondContact O-N 3.2Å; A101-M104 HydrophobicContact CB-CE 4.15Å; A101-M104 HydrophobicContact CB-CG 4.22Å; A101-M104 HydrophobicContact CB-SD 4.48Å; A101-M104 WeakPolarHBondContact O-CB 3.47Å; A101-M104 WeakPolarHBondContact O-CG 3.39Å; A101-M104 PolarHBondContact O-N 3.18Å
102A95.9Very high96.1Very high45 Ų4545 Ų4537%0.37225%0.254SS..THydrogen-bonded Turntrans-63.23.6173.200000113.4R8 P67R8-A102 PolarHBondContact NH1-O 3.17Å; R8-A102 PolarHBondContact NH2-O 3.36Å; P67-A102 WeakPolarHBondContact O-CB 3.29Å
103A96.3Very high96.3Very high89 Ų8944.7 Ų44.774%0.73625%0.252SS*.THydrogen-bonded Turntrans-91.4-16.716800000113.3A101A101-A103 PolarHBondContact O-N 3.2Å
104M97.9Very high96.5Very high42 Ų4244.8 Ų44.821%0.20725%0.252CS..  trans-68.8149.4-179.8-66.1176.6179.800111.6R8 I95 Q99 W100 A101R8-M104 PolarHBondContact NH2-O 2.68Å; I95-M104 HydrophobicContact CB-CE 4.04Å; I95-M104 HydrophobicContact CB-SD 3.85Å; I95-M104 HydrophobicContact CG2-CE 3.66Å; I95-M104 HydrophobicContact CG2-SD 4.14Å; Q99-M104 VanDerWaalsContact O-CE 3.31Å; Q99-M104 WeakPolarHBondContact O-CE 3.43Å; W100-M104 HydrophobicContact CD2-SD 4.43Å; W100-M104 HydrophobicContact CE3-CB 3.99Å; 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 3.5Å; W100-M104 VanDerWaalsContact CZ3-CB 3.5Å; W100-M104 HydrophobicContact CZ3-CG 4.39Å; W100-M104 HydrophobicContact CZ3-SD 4.05Å; A101-M104 HydrophobicContact CB-CE 4.15Å; A101-M104 HydrophobicContact CB-CG 4.22Å; A101-M104 HydrophobicContact CB-SD 4.48Å; A101-M104 WeakPolarHBondContact O-CB 3.47Å; A101-M104 WeakPolarHBondContact O-CG 3.39Å; A101-M104 PolarHBondContact O-N 3.18Å
105T98Very high96.8Very high14 Ų1443.9 Ų43.99%0.08626%0.255CS..  trans-123.5168-176.468.60000111.6E12 R107 T108 V109E12-T105 HydrophobicContact CG-CG2 3.96Å; E12-T105 WeakPolarHBondContact OE2-CA 3.3Å; T105-R107 PolarHBondContact O-N 3.08Å; T105-R107 PolarHBondContact OG1-N 3.11Å; T105-T108 PolarHBondContact N-OG1 2.79Å; T105-T108 PolarHBondContact O-N 3.17Å; T105-T108 VanDerWaalsContact O-N 3.15Å; T105-T108 PolarHBondContact O-OG1 2.9Å; T105-T108 PolarHBondContact OG1-N 2.88Å; T105-V109 WeakPolarHBondContact O-CG2 3.38Å; T105-V109 PolarHBondContact O-N 2.79Å
106L98.3Very high97Very high2 Ų243.8 Ų43.81%0.0126%0.255CS..Hα-helixtrans-50.9-40.8168.7-66175.8000111.6I9 E12 V16 L39 I60 I62 V109 L110I9-L106 HydrophobicContact CG2-CD1 4.46Å; E12-L106 HydrophobicContact CB-CB 4.33Å; E12-L106 HydrophobicContact CB-CD1 4.12Å; E12-L106 HydrophobicContact CB-CG 4.18Å; E12-L106 PolarHBondContact OE2-N 3.48Å; V16-L106 HydrophobicContact CG2-CB 4.16Å; L39-L106 HydrophobicContact CD1-CD1 3.59Å; L39-L106 HydrophobicContact CD1-CD2 4Å; L39-L106 HydrophobicContact CD1-CG 4.47Å; I60-L106 HydrophobicContact CG2-CD2 4.2Å; I62-L106 HydrophobicContact CD1-CD2 4.23Å; L106-V109 PolarHBondContact O-N 3.29Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.29Å; L106-L110 PolarHBondContact O-N 2.67Å
107R98.3Very high97.2Very high68 Ų6842.8 Ų42.826%0.25725%0.249SC..Hα-helixtrans-60.4-51.1176.7178.9172.9171.3-86.1-1111.3V16 E21 I27 T105 V109 L110 L111V16-R107 HydrophobicContact CG2-CB 3.85Å; E21-R107 IonicContact OE1-CZ 3.7Å; E21-R107 IonicContact OE1-NE 3.68Å; E21-R107 IonicContact OE1-NH2 2.69Å; E21-R107 PolarHBondContact OE1-NH2 3.47Å; E21-R107 IonicContact OE2-CZ 3.38Å; E21-R107 IonicContact OE2-NE 2.72Å; E21-R107 PolarHBondContact OE2-NE 2.83Å; E21-R107 IonicContact OE2-NH2 3.08Å; E21-R107 PolarHBondContact OE2-NH2 3Å; E21-R107 VanDerWaalsContact OE2-NH2 3.08Å; I27-R107 HydrophobicContact CD1-CG 4.02Å; T105-R107 PolarHBondContact O-N 3.08Å; T105-R107 PolarHBondContact OG1-N 3.11Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 2.83Å; R107-L110 PolarHBondContact O-N 3.01Å; R107-L111 HydrophobicContact CG-CD1 3.98Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 3.23Å
108T98Very high97.5Very high47 Ų4740.9 Ų40.929%0.28825%0.253SS..Hα-helixtrans-65.1-37.3-178.760.40000111.8T105 L111 S112T105-T108 PolarHBondContact N-OG1 2.79Å; T105-T108 PolarHBondContact O-N 3.17Å; T105-T108 VanDerWaalsContact O-N 3.15Å; T105-T108 PolarHBondContact O-OG1 2.9Å; T105-T108 PolarHBondContact OG1-N 2.88Å; T108-L111 PolarHBondContact O-N 3.15Å; T108-S112 WeakPolarHBondContact O-CB 3.42Å; T108-S112 PolarHBondContact O-N 2.83Å; T108-S112 PolarHBondContact O-OG 2.8Å
109V98.4Very high97.7Very high2 Ų238.6 Ų38.61%0.01225%0.25CS..Hα-helixtrans-60.8-47.5175171.10000111.5P71 V73 I95 L96 W100 T105 L106 R107 L111 S112 L113P71-V109 HydrophobicContact CG-CG2 4.4Å; V73-V109 HydrophobicContact CG2-CG1 4.11Å; I95-V109 HydrophobicContact CD1-CG2 4.36Å; L96-V109 HydrophobicContact CD2-CG1 4.08Å; W100-V109 HydrophobicContact CH2-CG2 4.46Å; W100-V109 HydrophobicContact CZ3-CG2 3.77Å; T105-V109 WeakPolarHBondContact O-CG2 3.38Å; T105-V109 PolarHBondContact O-N 2.79Å; L106-V109 PolarHBondContact O-N 3.29Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 2.83Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 PolarHBondContact O-N 2.95Å; V109-S112 PolarHBondContact O-N 2.81Å; V109-L113 HydrophobicContact CG1-CD1 4.17Å; V109-L113 WeakPolarHBondContact O-CG 3.3Å; V109-L113 PolarHBondContact O-N 2.9Å
110L98.6Very high97.8Very high0 Ų034.5 Ų34.50%023%0.234CC..Hα-helixtrans-61.5-41.5178.4-68.3171.3000111.9V16 I27 I43 L58 I60 L106 R107 L113 Q114V16-L110 HydrophobicContact CG1-CD1 4.33Å; I27-L110 HydrophobicContact CB-CB 4.14Å; I27-L110 HydrophobicContact CB-CD1 4.17Å; I27-L110 HydrophobicContact CD1-CB 4.25Å; I27-L110 HydrophobicContact CD1-CD1 4.31Å; I27-L110 HydrophobicContact CG2-CB 3.97Å; I43-L110 HydrophobicContact CG2-CB 4.12Å; I43-L110 HydrophobicContact CG2-CD2 3.88Å; L58-L110 HydrophobicContact CD1-CD2 3.56Å; I60-L110 HydrophobicContact CD1-CD2 4.26Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.29Å; L106-L110 PolarHBondContact O-N 2.67Å; R107-L110 PolarHBondContact O-N 3.01Å; L110-L113 PolarHBondContact O-N 2.69Å; L110-Q114 PolarHBondContact O-N 3.2Å
111L98.3Very high97.7Very high44 Ų4437.8 Ų37.823%0.2325%0.251CS..Hα-helixtrans-69.1-38.5177.6-65.4173.9000112.6E21 I27 R107 T108 V109 L113 Q114 A115E21-L111 HydrophobicContact CB-CD2 4.39Å; E21-L111 HydrophobicContact CG-CD2 3.92Å; I27-L111 HydrophobicContact CD1-CD2 4.23Å; I27-L111 HydrophobicContact CD1-CG 4.31Å; I27-L111 HydrophobicContact CG2-CD2 3.95Å; R107-L111 HydrophobicContact CG-CD1 3.98Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 3.23Å; T108-L111 PolarHBondContact O-N 3.15Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 PolarHBondContact O-N 2.95Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 3.41Å; L111-Q114 PolarHBondContact O-N 2.86Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 2.94Å
112S98.4Very high97.6Very high41 Ų4136.5 Ų36.529%0.28724%0.239SC..Hα-helixtrans-64.6-36.5174.8-66.90000112.1I95 T108 V109 A115 L116I95-S112 VanDerWaalsContact CD1-CB 3.46Å; I95-S112 WeakPolarHBondContact CD1-OG 3.33Å; T108-S112 WeakPolarHBondContact O-CB 3.42Å; T108-S112 PolarHBondContact O-N 2.83Å; T108-S112 PolarHBondContact O-OG 2.8Å; V109-S112 PolarHBondContact O-N 2.81Å; S112-A115 PolarHBondContact O-N 3.48Å; S112-L116 WeakPolarHBondContact O-CB 3.38Å; S112-L116 PolarHBondContact O-N 2.85Å
113L98.6Very high97.5Very high1 Ų140.1 Ų40.11%0.00525%0.252CS..Hα-helixtrans-66.7-39.4172.9-68.7169.8000111.9I43 L58 V73 F75 I91 L93 L96 V109 L110 L111 A115 L116 L117I43-L113 HydrophobicContact CD1-CB 3.95Å; L58-L113 HydrophobicContact CD1-CD1 3.69Å; L58-L113 HydrophobicContact CD2-CD1 4.48Å; V73-L113 HydrophobicContact CG1-CD1 3.82Å; F75-L113 HydrophobicContact CE2-CD2 4.38Å; I91-L113 HydrophobicContact CD1-CD2 3.81Å; I91-L113 HydrophobicContact CG2-CD2 3.94Å; L93-L113 HydrophobicContact CD2-CD2 3.96Å; L96-L113 HydrophobicContact CD1-CD2 4.44Å; V109-L113 HydrophobicContact CG1-CD1 4.17Å; V109-L113 WeakPolarHBondContact O-CG 3.3Å; V109-L113 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 2.69Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 3.41Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-L116 WeakPolarHBondContact O-CB 3.17Å; L113-L116 PolarHBondContact O-N 3.22Å; L113-L117 WeakPolarHBondContact O-CG 3.16Å; L113-L117 PolarHBondContact O-N 3.1Å
114Q98.2Very high97.4Very high26 Ų2640.4 Ų40.412%0.12124%0.241CC..Hα-helixtrans-63.4-41.6173.5-171.3175.947.700111.3A44 P46 L110 L111 L117 A118A44-Q114 PolarHBondContact O-NE2 3.47Å; P46-Q114 HydrophobicContact CG-CG 3.79Å; P46-Q114 WeakPolarHBondContact CG-O 3.3Å; L110-Q114 PolarHBondContact O-N 3.2Å; L111-Q114 PolarHBondContact O-N 2.86Å; Q114-L117 PolarHBondContact O-N 3.38Å; Q114-A118 PolarHBondContact O-N 3.42Å
115A98Very high97.3Very high58 Ų5840.9 Ų40.948%0.47925%0.248SC..Hα-helixtrans-63.7-39.1174.900000112.4L111 S112 L113 L117 A118 A119L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 2.94Å; S112-A115 PolarHBondContact O-N 3.48Å; L113-A115 VanDerWaalsContact C-N 3.34Å; A115-L117 VanDerWaalsContact C-N 3.28Å; A115-L117 PolarHBondContact O-N 3.29Å; A115-A118 WeakPolarHBondContact O-CB 3.33Å; A115-A118 PolarHBondContact O-N 3.01Å; A115-A119 PolarHBondContact O-N 2.72Å
116L98.1Very high97.3Very high14 Ų1443.7 Ų43.77%0.07326%0.26CS..Hα-helixtrans-57.9-40.4174.7-178.564000111.7H81 N83 I91 L93 S112 L113 A118 A119 A120H81-L116 PolarHBondContact NE2-O 2.86Å; N83-L116 HydrophobicContact CB-CD1 4.04Å; N83-L116 HydrophobicContact CB-CD2 4.16Å; N83-L116 HydrophobicContact CB-CG 4.44Å; 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 3.38Å; S112-L116 PolarHBondContact O-N 2.85Å; L113-L116 WeakPolarHBondContact O-CB 3.17Å; L113-L116 PolarHBondContact O-N 3.22Å; L116-A118 PolarHBondContact O-N 3.32Å; L116-A119 CarbonylContact O-C 3.54Å; L116-A119 PolarHBondContact O-N 3.49Å; L116-A120 PolarHBondContact O-N 2.88Å
117L98.4Very high97.3Very high5 Ų544.5 Ų44.53%0.02626%0.264CS..Hα-helixtrans-64.1-26.9176-62.6-170.6000113.4I43 P46 Y51 Y56 F75 I79 I84 L113 Q114 A115I43-L117 HydrophobicContact CD1-CD1 4.02Å; P46-L117 HydrophobicContact CG-CB 3.95Å; Y51-L117 HydrophobicContact CD2-CB 3.83Å; Y51-L117 WeakPolarHBondContact CD2-O 3.34Å; Y51-L117 HydrophobicContact CE2-CB 4.23Å; Y51-L117 HydrophobicContact CE2-CD2 4.48Å; Y51-L117 WeakPolarHBondContact CE2-O 3.48Å; Y51-L117 HydrophobicContact CG-CB 4.47Å; Y51-L117 HydrophobicContact CG-CD1 4.44Å; Y56-L117 HydrophobicContact CD2-CD1 4.16Å; Y56-L117 HydrophobicContact CE2-CD1 4.28Å; F75-L117 HydrophobicContact CZ-CD2 4.4Å; 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 3.77Å; L113-L117 WeakPolarHBondContact O-CG 3.16Å; L113-L117 PolarHBondContact O-N 3.1Å; Q114-L117 PolarHBondContact O-N 3.38Å; A115-L117 VanDerWaalsContact C-N 3.28Å; A115-L117 PolarHBondContact O-N 3.29Å
118A97.6Very high97.3Very high63 Ų6344.8 Ų44.852%0.52128%0.281SS..Hα-helixtrans-85-26.4176.400000112.9P46 T49 Q114 A115 L116P46-A118 HydrophobicContact CB-CB 4.21Å; P46-A118 HydrophobicContact CG-CB 4.1Å; T49-A118 HydrophobicContact CG2-CB 4.1Å; Q114-A118 PolarHBondContact O-N 3.42Å; A115-A118 WeakPolarHBondContact O-CB 3.33Å; A115-A118 PolarHBondContact O-N 3.01Å; L116-A118 PolarHBondContact O-N 3.32Å
119A96.8Very high97.3Very high70 Ų7045.9 Ų45.958%0.57929%0.288SS*.SBendtrans-137.986.6-176.400000110.5A115 L116A115-A119 PolarHBondContact O-N 2.72Å; L116-A119 CarbonylContact O-C 3.54Å; L116-A119 PolarHBondContact O-N 3.49Å
120A97Very high97.3Very high20 Ų2045.8 Ų45.817%0.16529%0.287CS..  trans-70.2148.717500000111.7P82 L116 P122 Y134P82-A120 HydrophobicContact CB-CB 4.44Å; P82-A120 HydrophobicContact CG-CB 3.91Å; L116-A120 PolarHBondContact O-N 2.88Å; A120-P122 WeakPolarHBondContact O-CD 3.17Å; A120-Y134 HydrophobicContact CB-CE2 4.18Å
121E95.4Very high97.2Very high99 Ų9946 Ų4646%0.46329%0.288SS..  trans-114.784.6175.2-176.648.8-96.600109.8N83 D123 D124N83-E121 PolarHBondContact ND2-O 3.23Å; N83-E121 PolarHBondContact OD1-N 2.79Å; E121-D123 PolarHBondContact O-N 2.89Å; E121-D123 PolarHBondContact OE1-N 3.02Å; E121-D124 HydrophobicContact CG-CB 4.43Å; E121-D124 PolarHBondContact O-N 3.25Å
122P94.9Very high97.2Very high16 Ų1647.4 Ų47.410%0.10430%0.296CS..THydrogen-bonded Turntrans-74.2-6.4-171.333-38.5000114.3P82 A120 A131 Y134 K135P82-P122 HydrophobicContact CB-CB 4.38Å; A120-P122 WeakPolarHBondContact O-CD 3.17Å; P122-A131 HydrophobicContact CB-CB 4.46Å; P122-Y134 HydrophobicContact CB-CD1 3.79Å; P122-Y134 HydrophobicContact CB-CE1 4.29Å; P122-Y134 HydrophobicContact CB-CG 4.48Å; P122-Y134 HydrophobicContact CG-CD1 3.81Å; P122-Y134 HydrophobicContact CG-CE1 3.86Å; P122-K135 HydrophobicContact CB-CD 4.13Å; P122-K135 HydrophobicContact CB-CG 3.97Å; P122-K135 HydrophobicContact CG-CD 4.34Å; P122-K135 HydrophobicContact CG-CG 4.18Å; P122-K135 WeakPolarHBondContact O-CE 3.27Å; P122-K135 PolarHBondContact O-NZ 3.03Å
123D94.7Very high97.2Very high122 Ų12246 Ų4665%0.65229%0.285SS*.THydrogen-bonded Turntrans-91.6-14.9178-65.9-28.8000113.3E121 P125 K135E121-D123 PolarHBondContact O-N 2.89Å; E121-D123 PolarHBondContact OE1-N 3.02Å; D123-P125 WeakPolarHBondContact O-CD 3.34Å; D123-K135 IonicContact OD1-NZ 2.79Å; D123-K135 PolarHBondContact OD1-NZ 2.87Å
124D93.9Very high97.2Very high94 Ų9449.7 Ų49.750%0.50330%0.3SS..SBendtrans-119.366.9163.1-174.130.7000111.6N83 C92 E121N83-D124 PolarHBondContact ND2-O 2.93Å; C92-D124 PolarHBondContact SG-OD2 3.4Å; C92-D124 VanDerWaalsContact SG-OD2 3.37Å; E121-D124 HydrophobicContact CG-CB 4.43Å; E121-D124 PolarHBondContact O-N 3.25Å
125P96.3Very high97.2Very high52 Ų5253.5 Ų53.534%0.33832%0.316SS..  trans-80.7150-16934.5-37.5000113.2D123 A131D123-P125 WeakPolarHBondContact O-CD 3.34Å; P125-A131 HydrophobicContact CB-CB 3.42Å; P125-A131 VanDerWaalsContact CB-CB 3.42Å; P125-A131 HydrophobicContact CG-CB 4.08Å
126Q97.6Very high97.2Very high73 Ų7357.5 Ų57.534%0.34133%0.325SS..SBendtrans-88.1-29.3165.8-172.95270.600112.1P82 N83 A90 C92P82-Q126 PolarHBondContact O-N 3.32Å; N83-Q126 VanDerWaalsContact O-CB 3.29Å; N83-Q126 WeakPolarHBondContact O-CB 3.05Å; A90-Q126 WeakPolarHBondContact O-CG 3.41Å; C92-Q126 HydrophobicContact CB-CB 3.78Å; C92-Q126 HydrophobicContact CB-CG 4.43Å
127D97.9Very high97.2Very high19 Ų1960 Ų6010%0.10234%0.338CS..  trans-128.4105-179.6-164.8-44.3000109.7P82 S86 V129 V130 A131P82-D127 PolarHBondContact O-N 3.2Å; S86-D127 VanDerWaalsContact CB-OD2 3.29Å; S86-D127 WeakPolarHBondContact CB-OD2 3.32Å; S86-D127 PolarHBondContact N-OD2 3.14Å; S86-D127 PolarHBondContact OG-OD2 2.9Å; D127-V129 VanDerWaalsContact C-N 3.29Å; D127-V129 PolarHBondContact O-N 3.35Å; D127-V129 PolarHBondContact OD1-N 3.38Å; D127-V130 HydrophobicContact CB-CB 4.04Å; D127-V130 HydrophobicContact CB-CG2 3.78Å; D127-V130 PolarHBondContact O-N 3.36Å; D127-V130 PolarHBondContact OD1-N 2.92Å; D127-A131 WeakPolarHBondContact O-CB 3.23Å; D127-A131 PolarHBondContact O-N 2.87Å
128A97.8Very high97.1Very high74 Ų7463.8 Ų63.861%0.61236%0.363SS*.Hα-helixtrans-64.9-32-174.500000112.9N132A128-N132 VanDerWaalsContact O-CB 3.23Å; A128-N132 WeakPolarHBondContact O-CB 3.45Å; A128-N132 PolarHBondContact O-N 3.28Å
129V97.8Very high97.1Very high71 Ų7165.7 Ų65.743%0.4336%0.361SS..Hα-helixtrans-69.5-46.6179175.60000109.7W80 D127 N132 Q133W80-V129 HydrophobicContact CH2-CG1 4.38Å; D127-V129 VanDerWaalsContact C-N 3.29Å; D127-V129 PolarHBondContact O-N 3.35Å; D127-V129 PolarHBondContact OD1-N 3.38Å; V129-N132 PolarHBondContact O-N 3.14Å; V129-Q133 PolarHBondContact O-N 3.4Å
130V98.4Very high97.2Very high0 Ų063.9 Ų63.90%034%0.341CS..Hα-helixtrans-63.4-45.5178-1750000110.7W80 H81 P82 D127 N132 Q133 Y134 F141W80-V130 HydrophobicContact CD2-CG1 4.21Å; W80-V130 HydrophobicContact CD2-CG2 3.69Å; W80-V130 HydrophobicContact CE3-CG2 3.75Å; W80-V130 HydrophobicContact CG-CG1 4.14Å; W80-V130 HydrophobicContact CG-CG2 4.39Å; W80-V130 HydrophobicContact CH2-CG2 3.78Å; W80-V130 HydrophobicContact CZ2-CB 4.41Å; W80-V130 HydrophobicContact CZ2-CG2 3.72Å; W80-V130 HydrophobicContact CZ3-CG2 3.79Å; H81-V130 VanDerWaalsContact C-CG1 3.43Å; P82-V130 HydrophobicContact CG-CG1 4.32Å; D127-V130 HydrophobicContact CB-CB 4.04Å; D127-V130 HydrophobicContact CB-CG2 3.78Å; D127-V130 PolarHBondContact O-N 3.36Å; D127-V130 PolarHBondContact OD1-N 2.92Å; V130-N132 VanDerWaalsContact C-N 3.35Å; V130-N132 PolarHBondContact O-N 2.96Å; V130-Q133 PolarHBondContact O-N 2.99Å; V130-Y134 WeakPolarHBondContact O-CB 3.39Å; V130-Y134 PolarHBondContact O-N 3.13Å; V130-F141 HydrophobicContact CG1-CD2 4.07Å; V130-F141 HydrophobicContact CG1-CE2 3.67Å
131A98.3Very high97.3Very high3 Ų363.5 Ų63.53%0.02534%0.336CS..Hα-helixtrans-64-38.3178.400000112.6P82 P122 P125 D127 Y134 K135P82-A131 HydrophobicContact CB-CB 4.02Å; P122-A131 HydrophobicContact CB-CB 4.46Å; P125-A131 HydrophobicContact CB-CB 3.42Å; P125-A131 VanDerWaalsContact CB-CB 3.42Å; P125-A131 HydrophobicContact CG-CB 4.08Å; D127-A131 WeakPolarHBondContact O-CB 3.23Å; D127-A131 PolarHBondContact O-N 2.87Å; A131-Y134 WeakPolarHBondContact O-CB 3.4Å; A131-Y134 PolarHBondContact O-N 2.72Å; A131-K135 WeakPolarHBondContact O-CG 3.34Å; A131-K135 PolarHBondContact O-N 3.31Å
132N98.1Very high97.4Very high74 Ų7462.6 Ų62.640%0.39633%0.33SS..Hα-helixtrans-64.5-44.7174.5-17466000111.4A128 V129 V130 Y134 K135 Q136A128-N132 VanDerWaalsContact O-CB 3.23Å; A128-N132 WeakPolarHBondContact O-CB 3.45Å; A128-N132 PolarHBondContact O-N 3.28Å; V129-N132 PolarHBondContact O-N 3.14Å; V130-N132 VanDerWaalsContact C-N 3.35Å; V130-N132 PolarHBondContact O-N 2.96Å; N132-Y134 VanDerWaalsContact C-N 3.33Å; N132-Y134 PolarHBondContact O-N 2.91Å; N132-K135 PolarHBondContact O-N 3.19Å; N132-Q136 VanDerWaalsContact ND2-CD 3.33Å; N132-Q136 PolarHBondContact ND2-OE1 3.16Å; N132-Q136 WeakPolarHBondContact O-CB 3.45Å; N132-Q136 WeakPolarHBondContact O-CG 3.25Å; N132-Q136 PolarHBondContact O-N 2.75Å; N132-Q136 PolarHBondContact OD1-NE2 3.38Å
133Q98.2Very high97.5Very high12 Ų1263.8 Ų63.86%0.05633%0.334CS..Hα-helixtrans-61.9-41.9174.8-173.1-178.278.600111.6V129 V130 K135 N137 M140 F141 T144 S184V129-Q133 PolarHBondContact O-N 3.4Å; V130-Q133 PolarHBondContact O-N 2.99Å; Q133-K135 VanDerWaalsContact C-N 3.33Å; Q133-K135 PolarHBondContact O-N 2.98Å; Q133-N137 CarbonylContact O-C 3.2Å; Q133-N137 WeakPolarHBondContact O-CA 3.44Å; Q133-N137 PolarHBondContact O-N 3.1Å; Q133-N137 VanDerWaalsContact O-O 3.09Å; Q133-M140 HydrophobicContact CG-CG 4.29Å; Q133-M140 HydrophobicContact CG-SD 4.32Å; Q133-F141 HydrophobicContact CG-CB 4.19Å; Q133-T144 PolarHBondContact OE1-OG1 3.21Å; Q133-S184 PolarHBondContact NE2-O 2.71Å; Q133-S184 VanDerWaalsContact NE2-O 3.13Å
134Y98.1Very high97.7Very high78 Ų7858 Ų5831%0.30630%0.303SS..Hα-helixtrans-55.6-46.6175.8-174.5-86.2000112P82 A120 P122 V130 A131 N132 F141P82-Y134 HydrophobicContact CG-CD2 3.77Å; P82-Y134 HydrophobicContact CG-CE2 4.47Å; P82-Y134 HydrophobicContact CG-CG 3.85Å; A120-Y134 HydrophobicContact CB-CE2 4.18Å; P122-Y134 HydrophobicContact CB-CD1 3.79Å; P122-Y134 HydrophobicContact CB-CE1 4.29Å; P122-Y134 HydrophobicContact CB-CG 4.48Å; P122-Y134 HydrophobicContact CG-CD1 3.81Å; P122-Y134 HydrophobicContact CG-CE1 3.86Å; V130-Y134 WeakPolarHBondContact O-CB 3.39Å; V130-Y134 PolarHBondContact O-N 3.13Å; A131-Y134 WeakPolarHBondContact O-CB 3.4Å; A131-Y134 PolarHBondContact O-N 2.72Å; N132-Y134 VanDerWaalsContact C-N 3.33Å; N132-Y134 PolarHBondContact O-N 2.91Å; Y134-F141 AromaticContact CD2-CD1 3.41Å; Y134-F141 HydrophobicContact CD2-CD1 3.41Å; Y134-F141 VanDerWaalsContact CD2-CD1 3.41Å; Y134-F141 AromaticContact CD2-CD2 3.96Å; Y134-F141 HydrophobicContact CD2-CD2 3.96Å; Y134-F141 AromaticContact CD2-CE1 3.35Å; Y134-F141 HydrophobicContact CD2-CE1 3.35Å; 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 3.9Å; Y134-F141 HydrophobicContact CE2-CD1 3.9Å; Y134-F141 AromaticContact CE2-CE1 3.59Å; Y134-F141 HydrophobicContact CE2-CE1 3.59Å; Y134-F141 HydrophobicContact CE2-CZ 4.07Å; Y134-F141 HydrophobicContact CG-CD1 4.42Å; Y134-F141 HydrophobicContact CG-CG 4.39Å
135K97.8Very high97.9Very high107 Ų10753.5 Ų53.547%0.46528%0.279SS..Hα-helixtrans-75.8-42.7-178.2-71.8-170.3-86.7-160.10113.4P122 D123 A131 N132 Q133P122-K135 HydrophobicContact CB-CD 4.13Å; P122-K135 HydrophobicContact CB-CG 3.97Å; P122-K135 HydrophobicContact CG-CD 4.34Å; P122-K135 HydrophobicContact CG-CG 4.18Å; P122-K135 WeakPolarHBondContact O-CE 3.27Å; P122-K135 PolarHBondContact O-NZ 3.03Å; D123-K135 IonicContact OD1-NZ 2.79Å; D123-K135 PolarHBondContact OD1-NZ 2.87Å; A131-K135 WeakPolarHBondContact O-CG 3.34Å; A131-K135 PolarHBondContact O-N 3.31Å; N132-K135 PolarHBondContact O-N 3.19Å; Q133-K135 VanDerWaalsContact C-N 3.33Å; Q133-K135 PolarHBondContact O-N 2.98Å
136Q97.7Very high98.1Very high142 Ų14255.2 Ų55.266%0.66428%0.279SS*.Hα-helixtrans-84.7-31.8-173.5-66.4-173.9-12.600113.3N132N132-Q136 VanDerWaalsContact ND2-CD 3.33Å; N132-Q136 PolarHBondContact ND2-OE1 3.16Å; N132-Q136 WeakPolarHBondContact O-CB 3.45Å; N132-Q136 WeakPolarHBondContact O-CG 3.25Å; N132-Q136 PolarHBondContact O-N 2.75Å; N132-Q136 PolarHBondContact OD1-NE2 3.38Å
137N97.8Very high98.1Very high66 Ų6651.8 Ų51.835%0.35326%0.263SS..  trans-145.678.8-178-165.4-24.8000111.6Q133 E139 M140 F141Q133-N137 CarbonylContact O-C 3.2Å; Q133-N137 WeakPolarHBondContact O-CA 3.44Å; Q133-N137 PolarHBondContact O-N 3.1Å; Q133-N137 VanDerWaalsContact O-O 3.09Å; N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.08Å; N137-M140 HydrophobicContact CB-CB 3.93Å; N137-M140 PolarHBondContact O-N 2.89Å; N137-M140 WeakPolarHBondContact OD1-CB 3.39Å; N137-M140 PolarHBondContact OD1-N 3.41Å; N137-F141 PolarHBondContact O-N 3.05Å
138P97.4Very high98.1Very high85 Ų8551 Ų5155%0.55226%0.259SS*.Hα-helixtrans-57.1-36-176.7-26.434000114.2F141 K142P138-F141 PolarHBondContact O-N 3.23Å; P138-K142 WeakPolarHBondContact O-CB 3.38Å; P138-K142 PolarHBondContact O-N 3.44Å
139E97.8Very high98.2Very high102 Ų10247.5 Ų47.548%0.47723%0.23SC..Hα-helixtrans-70.7-43.4179.2-174.455.8-148.200111.3N137 F141 K142 Q143N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.08Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 2.89Å; E139-K142 PolarHBondContact O-N 3.04Å; E139-Q143 WeakPolarHBondContact O-CG 3.49Å; E139-Q143 PolarHBondContact O-N 3.01Å; E139-Q143 PolarHBondContact OE1-NE2 3Å
140M98.1Very high98.2Very high33 Ų3347.7 Ų47.716%0.16323%0.226CC..Hα-helixtrans-61-42.3173.7-178.7-178.8-73.800111.4Q133 N137 Q143 T144 S187Q133-M140 HydrophobicContact CG-CG 4.29Å; Q133-M140 HydrophobicContact CG-SD 4.32Å; N137-M140 HydrophobicContact CB-CB 3.93Å; N137-M140 PolarHBondContact O-N 2.89Å; N137-M140 WeakPolarHBondContact OD1-CB 3.39Å; N137-M140 PolarHBondContact OD1-N 3.41Å; M140-Q143 PolarHBondContact O-N 3.3Å; M140-T144 WeakPolarHBondContact O-CB 3.22Å; M140-T144 PolarHBondContact O-N 3.22Å; M140-T144 PolarHBondContact O-OG1 3.45Å; M140-S187 WeakPolarHBondContact CE-O 3.33Å
141F98.6Very high98.2Very high12 Ų1250 Ų505%0.05324%0.24CC..Hα-helixtrans-57.1-50.3173.4167.5-94.1000111.1P50 Y51 W80 P82 V130 Q133 Y134 N137 P138 E139 Q143 T144 A145P50-F141 HydrophobicContact CG-CE1 4.47Å; Y51-F141 WeakPolarHBondContact OH-CZ 3.41Å; W80-F141 AromaticContact CD1-CD2 3.79Å; W80-F141 AromaticContact CD1-CE2 3.8Å; W80-F141 AromaticContact NE1-CD2 3.97Å; P82-F141 HydrophobicContact CG-CE2 4.32Å; V130-F141 HydrophobicContact CG1-CD2 4.07Å; V130-F141 HydrophobicContact CG1-CE2 3.67Å; Q133-F141 HydrophobicContact CG-CB 4.19Å; Y134-F141 AromaticContact CD2-CD1 3.41Å; Y134-F141 HydrophobicContact CD2-CD1 3.41Å; Y134-F141 VanDerWaalsContact CD2-CD1 3.41Å; Y134-F141 AromaticContact CD2-CD2 3.96Å; Y134-F141 HydrophobicContact CD2-CD2 3.96Å; Y134-F141 AromaticContact CD2-CE1 3.35Å; Y134-F141 HydrophobicContact CD2-CE1 3.35Å; 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 3.9Å; Y134-F141 HydrophobicContact CE2-CD1 3.9Å; Y134-F141 AromaticContact CE2-CE1 3.59Å; Y134-F141 HydrophobicContact CE2-CE1 3.59Å; Y134-F141 HydrophobicContact CE2-CZ 4.07Å; Y134-F141 HydrophobicContact CG-CD1 4.42Å; Y134-F141 HydrophobicContact CG-CG 4.39Å; N137-F141 PolarHBondContact O-N 3.05Å; P138-F141 PolarHBondContact O-N 3.23Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 2.89Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.27Å; F141-T144 PolarHBondContact O-N 3.33Å; F141-T144 VanDerWaalsContact O-N 3.14Å; F141-A145 HydrophobicContact CE1-CB 4.37Å; F141-A145 HydrophobicContact CE2-CB 4.46Å; F141-A145 HydrophobicContact CZ-CB 4.19Å; F141-A145 WeakPolarHBondContact O-CB 3.18Å; F141-A145 PolarHBondContact O-N 3.24Å
142K98.2Very high98.2Very high79 Ų7952 Ų5234%0.34325%0.247SC..Hα-helixtrans-57.4-44.7-179.5-175.3178.2-177.8175.50112P50 P138 E139 R146P50-K142 HydrophobicContact CB-CG 4.36Å; P138-K142 WeakPolarHBondContact O-CB 3.38Å; P138-K142 PolarHBondContact O-N 3.44Å; E139-K142 PolarHBondContact O-N 3.04Å; K142-R146 VanDerWaalsContact CE-CZ 3.49Å; K142-R146 VanDerWaalsContact CE-NH2 3.31Å; K142-R146 WeakPolarHBondContact O-CB 3.33Å; K142-R146 VanDerWaalsContact O-CG 3.32Å; K142-R146 WeakPolarHBondContact O-CG 3.5Å; K142-R146 PolarHBondContact O-N 2.94Å
143Q98.2Very high98.2Very high41 Ų4149 Ų4919%0.19223%0.232CC..Hα-helixtrans-69.6-37.1178-62.5-60.3-24.600112.3E139 M140 F141 L147 Y162E139-Q143 WeakPolarHBondContact O-CG 3.49Å; E139-Q143 PolarHBondContact O-N 3.01Å; E139-Q143 PolarHBondContact OE1-NE2 3Å; M140-Q143 PolarHBondContact O-N 3.3Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.27Å; Q143-L147 WeakPolarHBondContact O-CB 3.34Å; Q143-L147 PolarHBondContact O-N 2.85Å; Q143-Y162 HydrophobicContact CB-CD2 4.4Å; Q143-Y162 HydrophobicContact CB-CE2 3.57Å
144T98.4Very high98.2Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-65.3-47.9175.8-54.10000110.5W80 Q133 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 4.34Å; Q133-T144 PolarHBondContact OE1-OG1 3.21Å; M140-T144 WeakPolarHBondContact O-CB 3.22Å; M140-T144 PolarHBondContact O-N 3.22Å; M140-T144 PolarHBondContact O-OG1 3.45Å; F141-T144 PolarHBondContact O-N 3.33Å; F141-T144 VanDerWaalsContact O-N 3.14Å; T144-R146 PolarHBondContact O-N 2.97Å; T144-L147 WeakPolarHBondContact O-CB 3.36Å; T144-L147 PolarHBondContact O-N 2.97Å; T144-W148 PolarHBondContact O-N 3.07Å; T144-S184 WeakPolarHBondContact CG2-OG 3.17Å; T144-W188 HydrophobicContact CG2-CZ2 4.2Å; T144-W188 PolarHBondContact OG1-NE1 3.03Å
145A98.6Very high98.1Very high0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-63.2-38.6177.100000112.7P50 Y51 W80 F141 W148 S149P50-A145 HydrophobicContact CB-CB 3.64Å; P50-A145 HydrophobicContact CG-CB 3.75Å; Y51-A145 HydrophobicContact CE1-CB 3.99Å; W80-A145 HydrophobicContact CB-CB 4.36Å; F141-A145 HydrophobicContact CE1-CB 4.37Å; F141-A145 HydrophobicContact CE2-CB 4.46Å; F141-A145 HydrophobicContact CZ-CB 4.19Å; F141-A145 WeakPolarHBondContact O-CB 3.18Å; F141-A145 PolarHBondContact O-N 3.24Å; A145-W148 PolarHBondContact O-N 2.86Å; A145-S149 WeakPolarHBondContact O-CB 3.29Å; A145-S149 PolarHBondContact O-N 3.04Å; A145-S149 PolarHBondContact O-OG 2.87Å
146R98.5Very high97.8Very high88 Ų8847.9 Ų47.933%0.33226%0.258SS..Hα-helixtrans-61.8-44.7171.8-80.1175.5174.2177.3-8.3112.5P50 K142 T144 S149 H150P50-R146 HydrophobicContact CB-CG 3.66Å; P50-R146 WeakPolarHBondContact O-CA 3.28Å; P50-R146 WeakPolarHBondContact O-CG 3.45Å; K142-R146 VanDerWaalsContact CE-CZ 3.49Å; K142-R146 VanDerWaalsContact CE-NH2 3.31Å; K142-R146 WeakPolarHBondContact O-CB 3.33Å; K142-R146 VanDerWaalsContact O-CG 3.32Å; K142-R146 WeakPolarHBondContact O-CG 3.5Å; K142-R146 PolarHBondContact O-N 2.94Å; T144-R146 PolarHBondContact O-N 2.97Å; R146-S149 PolarHBondContact O-N 3.12Å; R146-H150 PolarHBondContact O-N 2.84Å
147L98.4Very high97.3Very high1 Ų146.3 Ų46.31%0.00526%0.258CS..Hα-helixtrans-60.6-47.4175.4174.780.9000111.6Q143 T144 S149 H150 V151 Y162 I166 W188Q143-L147 WeakPolarHBondContact O-CB 3.34Å; Q143-L147 PolarHBondContact O-N 2.85Å; T144-L147 WeakPolarHBondContact O-CB 3.36Å; T144-L147 PolarHBondContact O-N 2.97Å; L147-S149 PolarHBondContact O-N 2.87Å; L147-H150 WeakPolarHBondContact O-CB 3.27Å; L147-H150 PolarHBondContact O-N 3.48Å; L147-H150 VanDerWaalsContact O-N 3.16Å; L147-V151 HydrophobicContact CD1-CG2 4.07Å; L147-V151 HydrophobicContact CG-CG2 4.28Å; L147-V151 WeakPolarHBondContact O-CG2 3.29Å; L147-V151 PolarHBondContact O-N 2.91Å; L147-Y162 HydrophobicContact CB-CD2 4.46Å; L147-Y162 HydrophobicContact CD2-CD2 4.3Å; L147-I166 HydrophobicContact CD1-CD1 3.96Å; L147-I166 HydrophobicContact CD2-CD1 3.66Å; L147-I166 HydrophobicContact CG-CD1 4.37Å; L147-W188 HydrophobicContact CD2-CH2 3.08Å; L147-W188 HydrophobicContact CD2-CZ2 3.42Å; L147-W188 VanDerWaalsContact CD2-CZ2 3.42Å; L147-W188 HydrophobicContact CD2-CZ3 4.18Å
148W98.7Very high96.8Very high3 Ų344 Ų441%0.01125%0.247CC..Hα-helixtrans-60.3-39.4177.9-81.858.4000111.2K78 W80 T144 A145 V151 Y152 I180 S184K78-W148 HydrophobicContact CB-CE3 4.12Å; K78-W148 HydrophobicContact CB-CZ3 3.96Å; W80-W148 HydrophobicContact CB-CB 4.03Å; W80-W148 HydrophobicContact CB-CD2 3.8Å; W80-W148 HydrophobicContact CB-CE3 4.21Å; W80-W148 HydrophobicContact CB-CG 3.72Å; W80-W148 HydrophobicContact CD2-CZ2 4.31Å; W80-W148 HydrophobicContact CE3-CD2 4.07Å; W80-W148 AromaticContact CE3-CE2 3.47Å; W80-W148 VanDerWaalsContact CE3-CE2 3.47Å; W80-W148 HydrophobicContact CE3-CE3 4.39Å; W80-W148 AromaticContact CE3-CH2 3.69Å; W80-W148 HydrophobicContact CE3-CH2 3.69Å; W80-W148 AromaticContact CE3-CZ2 3.28Å; W80-W148 HydrophobicContact CE3-CZ2 3.28Å; W80-W148 HydrophobicContact CE3-CZ3 4.21Å; W80-W148 AromaticContact CE3-NE1 3.93Å; W80-W148 HydrophobicContact CG-CD2 4.48Å; W80-W148 HydrophobicContact CG-CG 4.48Å; W80-W148 AromaticContact CZ3-CH2 3.98Å; W80-W148 HydrophobicContact CZ3-CH2 3.98Å; W80-W148 AromaticContact CZ3-CZ2 3.54Å; W80-W148 HydrophobicContact CZ3-CZ2 3.54Å; T144-W148 PolarHBondContact O-N 3.07Å; A145-W148 PolarHBondContact O-N 2.86Å; W148-V151 PolarHBondContact O-N 3.05Å; W148-Y152 HydrophobicContact CB-CD2 4.1Å; W148-Y152 HydrophobicContact CB-CE2 4.46Å; W148-Y152 HydrophobicContact CD2-CD2 4.05Å; W148-Y152 AromaticContact CD2-CE2 3.72Å; W148-Y152 HydrophobicContact CD2-CE2 3.72Å; W148-Y152 AromaticContact CE3-CD2 3.77Å; W148-Y152 HydrophobicContact CE3-CD2 3.77Å; W148-Y152 AromaticContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CG-CD2 4.22Å; W148-Y152 HydrophobicContact CG-CE2 4.11Å; W148-Y152 HydrophobicContact CZ3-CE2 4.13Å; W148-Y152 WeakPolarHBondContact O-CB 3.5Å; W148-Y152 VanDerWaalsContact O-CD2 3.3Å; W148-Y152 WeakPolarHBondContact O-CD2 3.26Å; W148-Y152 PolarHBondContact O-N 3.29Å; W148-I180 HydrophobicContact CZ2-CG2 4.11Å; W148-S184 PolarHBondContact NE1-OG 2.97Å
149S98.6Very high96.5Very high0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-65.2-38.6175.7-55.40000112.3P50 Y56 A145 R146 L147 A153 G154 A155P50-S149 PolarHBondContact O-OG 3.21Å; Y56-S149 VanDerWaalsContact OH-CB 3.23Å; Y56-S149 WeakPolarHBondContact OH-CB 3.4Å; Y56-S149 PolarHBondContact OH-OG 3.03Å; A145-S149 WeakPolarHBondContact O-CB 3.29Å; A145-S149 PolarHBondContact O-N 3.04Å; A145-S149 PolarHBondContact O-OG 2.87Å; R146-S149 PolarHBondContact O-N 3.12Å; L147-S149 PolarHBondContact O-N 2.87Å; S149-A153 CarbonylContact O-C 3.59Å; S149-A153 VanDerWaalsContact O-C 3.27Å; S149-A153 VanDerWaalsContact O-CA 3.28Å; S149-A153 WeakPolarHBondContact O-CA 3.49Å; S149-A153 VanDerWaalsContact O-CB 3.29Å; S149-A153 WeakPolarHBondContact O-CB 3.48Å; S149-A153 PolarHBondContact O-N 2.56Å; S149-G154 PolarHBondContact O-N 2.86Å; S149-A155 WeakPolarHBondContact O-CB 3.47Å; S149-A155 PolarHBondContact O-N 3.08Å
150H98.2Very high96.3Very high76 Ų7640 Ų4035%0.35223%0.231SC..Hα-helixtrans-64.1-51.2173.9175.866.1000111.9R146 L147 A155 S158R146-H150 PolarHBondContact O-N 2.84Å; L147-H150 WeakPolarHBondContact O-CB 3.27Å; L147-H150 PolarHBondContact O-N 3.48Å; L147-H150 VanDerWaalsContact O-N 3.16Å; H150-A155 WeakPolarHBondContact CA-O 3.39Å; H150-A155 PolarHBondContact ND1-O 2.84Å; H150-S158 PolarHBondContact CD2-OG 3.02Å; H150-S158 VanDerWaalsContact CD2-OG 3.25Å
151V97.9Very high96.2Very high48 Ų4842.9 Ų42.929%0.29125%0.247SC..Hα-helixtrans-71.6-41-174176.60000112.5L147 W148 I180L147-V151 HydrophobicContact CD1-CG2 4.07Å; L147-V151 HydrophobicContact CG-CG2 4.28Å; L147-V151 WeakPolarHBondContact O-CG2 3.29Å; L147-V151 PolarHBondContact O-N 2.91Å; W148-V151 PolarHBondContact O-N 3.05Å; V151-I180 HydrophobicContact CB-CD1 4.41Å; V151-I180 HydrophobicContact CG1-CD1 3.8Å; V151-I180 HydrophobicContact CG2-CD1 4.17Å
152Y98.4Very high96.1Very high45 Ų4543.6 Ų43.618%0.17625%0.249CC..Hα-helixtrans-106.7-25.6-169.8-58.2-60.3000114.2T77 K78 W148 N177 I180T77-Y152 VanDerWaalsContact CG2-O 3.3Å; T77-Y152 WeakPolarHBondContact CG2-O 3.48Å; K78-Y152 HydrophobicContact CB-CD1 4.06Å; K78-Y152 HydrophobicContact CB-CD2 3.69Å; K78-Y152 HydrophobicContact CB-CE1 4.39Å; K78-Y152 HydrophobicContact CB-CE2 4.05Å; K78-Y152 HydrophobicContact CB-CG 3.69Å; K78-Y152 HydrophobicContact CD-CD1 4.05Å; K78-Y152 HydrophobicContact CD-CE1 3.69Å; K78-Y152 HydrophobicContact CD-CE2 4.24Å; K78-Y152 HydrophobicContact CD-CG 4.48Å; K78-Y152 WeakPolarHBondContact O-CB 3.48Å; W148-Y152 HydrophobicContact CB-CD2 4.1Å; W148-Y152 HydrophobicContact CB-CE2 4.46Å; W148-Y152 HydrophobicContact CD2-CD2 4.05Å; W148-Y152 AromaticContact CD2-CE2 3.72Å; W148-Y152 HydrophobicContact CD2-CE2 3.72Å; W148-Y152 AromaticContact CE3-CD2 3.77Å; W148-Y152 HydrophobicContact CE3-CD2 3.77Å; W148-Y152 AromaticContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CE3-CE2 3.61Å; W148-Y152 HydrophobicContact CG-CD2 4.22Å; W148-Y152 HydrophobicContact CG-CE2 4.11Å; W148-Y152 HydrophobicContact CZ3-CE2 4.13Å; W148-Y152 WeakPolarHBondContact O-CB 3.5Å; W148-Y152 VanDerWaalsContact O-CD2 3.3Å; W148-Y152 WeakPolarHBondContact O-CD2 3.26Å; W148-Y152 PolarHBondContact O-N 3.29Å; Y152-N177 VanDerWaalsContact CE1-OD1 3.3Å; Y152-N177 WeakPolarHBondContact CE1-OD1 3.26Å; Y152-N177 PolarHBondContact OH-OD1 3.24Å; Y152-I180 HydrophobicContact CE2-CG2 4.23Å
153A98.3Very high96Very high11 Ų1142.2 Ų42.29%0.09125%0.247CC..Hα-helixtrans-115.7-1.2-173.400000113.6G54 R55 Y56 T77 S149G54-A153 CarbonylContact C-O 3.55Å; G54-A153 WeakPolarHBondContact CA-O 3.42Å; R55-A153 PolarHBondContact N-O 3.16Å; Y56-A153 HydrophobicContact CD1-CB 4Å; Y56-A153 HydrophobicContact CE1-CB 3.51Å; Y56-A153 HydrophobicContact CE2-CB 4.25Å; T77-A153 HydrophobicContact CG2-CB 3.93Å; S149-A153 CarbonylContact O-C 3.59Å; S149-A153 VanDerWaalsContact O-C 3.27Å; S149-A153 VanDerWaalsContact O-CA 3.28Å; S149-A153 WeakPolarHBondContact O-CA 3.49Å; S149-A153 VanDerWaalsContact O-CB 3.29Å; S149-A153 WeakPolarHBondContact O-CB 3.48Å; S149-A153 PolarHBondContact O-N 2.56Å
154G97.6Very high95.9Very high62 Ų6248.3 Ų48.364%0.63927%0.269SS*.  trans78.218176.800000115.2S149S149-G154 PolarHBondContact O-N 2.86Å
155A97.3Very high95.9Very high6 Ų651.7 Ų51.75%0.0528%0.283CS..  trans-63.7150.1174.100000111.1S149 H150 V157S149-A155 WeakPolarHBondContact O-CB 3.47Å; S149-A155 PolarHBondContact O-N 3.08Å; H150-A155 WeakPolarHBondContact CA-O 3.39Å; H150-A155 PolarHBondContact ND1-O 2.84Å; A155-V157 PolarHBondContact O-N 2.69Å
156P90.6Very high95.9Very high105 Ų10551.9 Ų51.968%0.68229%0.285SS*.SBendtrans-76.3-28.1-164.726.5-34.9000115.7
157V86.8Confident95.8Very high109 Ų10951.9 Ų51.966%0.66129%0.291SS*.  trans-137137.6-167.9-176.20000111.8A155A155-V157 PolarHBondContact O-N 2.69Å
158S88.3Confident95.8Very high17 Ų1757.9 Ų57.912%0.11932%0.317CS..  trans-137.6168.6167.161.30000111.8H150 P160H150-S158 PolarHBondContact CD2-OG 3.02Å; H150-S158 VanDerWaalsContact CD2-OG 3.25Å; S158-P160 WeakPolarHBondContact O-CD 3.39Å
159S90.6Very high95.7Very high19 Ų1957.8 Ų57.813%0.13332%0.317CS..  trans-58.9124.4178.2173.30000112.2D161 Y162 T163S159-D161 PolarHBondContact O-N 2.93Å; S159-D161 PolarHBondContact OG-N 3.46Å; S159-Y162 PolarHBondContact O-N 3.27Å; S159-Y162 PolarHBondContact OG-N 3.48Å; S159-T163 PolarHBondContact O-N 3.28Å; S159-T163 PolarHBondContact O-OG1 3.43Å
160P93.9Very high95.7Very high86 Ų8659.5 Ų59.556%0.55833%0.329SS*.Hα-helixtrans-60.4-32.7173.4-24.334.6000112.7S158 T163 R164S158-P160 WeakPolarHBondContact O-CD 3.39Å; P160-T163 WeakPolarHBondContact O-CB 3.47Å; P160-T163 PolarHBondContact O-N 2.93Å; P160-R164 WeakPolarHBondContact O-CG 3.33Å; P160-R164 PolarHBondContact O-N 3.38Å
161D95.4Very high95.6Very high93 Ų9360.2 Ų60.250%0.49735%0.347SS..Hα-helixtrans-69.1-38.1-179.2-65.7-34.4000112S159 T163 R164 K165S159-D161 PolarHBondContact O-N 2.93Å; S159-D161 PolarHBondContact OG-N 3.46Å; D161-T163 VanDerWaalsContact C-N 3.34Å; D161-R164 PolarHBondContact O-N 3.36Å; D161-R164 IonicContact OD1-NH1 3.34Å; D161-R164 PolarHBondContact OD1-NH1 3.43Å; D161-K165 WeakPolarHBondContact O-CG 3.38Å; D161-K165 PolarHBondContact O-N 2.86Å; D161-K165 VanDerWaalsContact O-N 3.17Å
162Y97Very high95.5Very high27 Ų2763.1 Ų63.111%0.10636%0.359CS..Hα-helixtrans-67.6-40.2175.2-72.28.4000110.7Q143 L147 S159 R164 K165 I166 W188Q143-Y162 HydrophobicContact CB-CD2 4.4Å; Q143-Y162 HydrophobicContact CB-CE2 3.57Å; L147-Y162 HydrophobicContact CB-CD2 4.46Å; L147-Y162 HydrophobicContact CD2-CD2 4.3Å; S159-Y162 PolarHBondContact O-N 3.27Å; S159-Y162 PolarHBondContact OG-N 3.48Å; Y162-R164 PolarHBondContact O-N 3.29Å; Y162-K165 PolarHBondContact O-N 3.36Å; Y162-I166 WeakPolarHBondContact O-CD1 3.44Å; Y162-I166 VanDerWaalsContact O-CG1 3.29Å; Y162-I166 WeakPolarHBondContact O-CG1 3.48Å; Y162-I166 PolarHBondContact O-N 3.18Å; Y162-W188 AromaticContact CD1-CD2 3.73Å; Y162-W188 HydrophobicContact CD1-CD2 3.73Å; Y162-W188 AromaticContact CD1-CE3 3.73Å; Y162-W188 HydrophobicContact CD1-CE3 3.73Å; Y162-W188 HydrophobicContact CD1-CG 4.15Å; Y162-W188 HydrophobicContact CD1-CZ3 4.28Å; Y162-W188 AromaticContact CD2-CD2 3.75Å; Y162-W188 HydrophobicContact CD2-CD2 3.75Å; Y162-W188 AromaticContact CD2-CE2 3.34Å; Y162-W188 HydrophobicContact CD2-CE3 4.06Å; Y162-W188 AromaticContact CD2-CH2 3.81Å; Y162-W188 HydrophobicContact CD2-CH2 3.81Å; Y162-W188 AromaticContact CD2-CZ2 3.38Å; Y162-W188 HydrophobicContact CD2-CZ2 3.38Å; Y162-W188 HydrophobicContact CD2-CZ3 4.08Å; Y162-W188 AromaticContact CD2-NE1 3.83Å; Y162-W188 HydrophobicContact CE1-CB 4.27Å; Y162-W188 AromaticContact CE1-CD2 3.77Å; Y162-W188 HydrophobicContact CE1-CD2 3.77Å; Y162-W188 HydrophobicContact CE1-CE3 4.23Å; 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 3.78Å; Y162-W188 HydrophobicContact CE2-CD2 3.78Å; Y162-W188 AromaticContact CE2-CE2 3.29Å; Y162-W188 HydrophobicContact CE2-CG 4.11Å; Y162-W188 AromaticContact CE2-CZ2 3.77Å; Y162-W188 HydrophobicContact CE2-CZ2 3.77Å; Y162-W188 AromaticContact CE2-NE1 3.25Å; Y162-W188 AromaticContact CG-CD2 3.72Å; Y162-W188 HydrophobicContact CG-CD2 3.72Å; Y162-W188 AromaticContact CG-CE2 3.81Å; Y162-W188 AromaticContact CG-CE3 3.63Å; Y162-W188 HydrophobicContact CG-CE3 3.63Å; Y162-W188 AromaticContact CG-CH2 3.93Å; Y162-W188 HydrophobicContact CG-CH2 3.93Å; Y162-W188 AromaticContact CG-CZ2 3.93Å; Y162-W188 HydrophobicContact CG-CZ2 3.93Å; Y162-W188 AromaticContact CG-CZ3 3.73Å; Y162-W188 HydrophobicContact CG-CZ3 3.73Å; Y162-W188 AromaticContact CZ-CD1 3.51Å; Y162-W188 AromaticContact CZ-CD2 3.78Å; Y162-W188 AromaticContact CZ-CE2 3.75Å; Y162-W188 AromaticContact CZ-CG 3.7Å; Y162-W188 AromaticContact CZ-NE1 3.5Å
163T95.6Very high95.4Very high49 Ų4964.2 Ų64.230%0.30138%0.384SS..Hα-helixtrans-57.5-47.6175.1-50.20000111S159 P160 D161 K165 I166 D167S159-T163 PolarHBondContact O-N 3.28Å; S159-T163 PolarHBondContact O-OG1 3.43Å; P160-T163 WeakPolarHBondContact O-CB 3.47Å; P160-T163 PolarHBondContact O-N 2.93Å; D161-T163 VanDerWaalsContact C-N 3.34Å; T163-K165 VanDerWaalsContact C-N 3.35Å; T163-K165 PolarHBondContact O-N 3.36Å; T163-I166 WeakPolarHBondContact O-CB 3.37Å; T163-I166 PolarHBondContact O-N 3.25Å; T163-D167 VanDerWaalsContact O-CG 3.25Å; T163-D167 PolarHBondContact O-N 3.06Å
164R97.3Very high95.4Very high170 Ų17065.9 Ų65.964%0.64239%0.389SS*.Hα-helixtrans-59.3-40.8176-71.3172.1-177.1164.3-3.7113.3P160 D161 Y162 D167 K168P160-R164 WeakPolarHBondContact O-CG 3.33Å; P160-R164 PolarHBondContact O-N 3.38Å; D161-R164 PolarHBondContact O-N 3.36Å; D161-R164 IonicContact OD1-NH1 3.34Å; D161-R164 PolarHBondContact OD1-NH1 3.43Å; Y162-R164 PolarHBondContact O-N 3.29Å; R164-D167 PolarHBondContact O-N 3.15Å; R164-K168 WeakPolarHBondContact O-CB 3.3Å; R164-K168 PolarHBondContact O-N 3.31Å
165K97.9Very high95.4Very high70 Ų7067.5 Ų67.530%0.30438%0.383SS..Hα-helixtrans-65.2-40.3177.3-71.3179.2178.1-173.40111.6D161 Y162 T163 L169 L183 W188 V190D161-K165 WeakPolarHBondContact O-CG 3.38Å; D161-K165 PolarHBondContact O-N 2.86Å; D161-K165 VanDerWaalsContact O-N 3.17Å; Y162-K165 PolarHBondContact O-N 3.36Å; T163-K165 VanDerWaalsContact C-N 3.35Å; T163-K165 PolarHBondContact O-N 3.36Å; K165-L169 PolarHBondContact O-N 3.4Å; K165-L183 HydrophobicContact CB-CD1 4.08Å; K165-W188 HydrophobicContact CB-CE3 4.47Å; K165-W188 HydrophobicContact CD-CB 4.42Å; K165-W188 HydrophobicContact CD-CE3 4.13Å; K165-W188 PolarHBondContact NZ-O 3.19Å; K165-V190 HydrophobicContact CB-CG2 4.48Å; K165-V190 HydrophobicContact CD-CG2 4.18Å; K165-V190 HydrophobicContact CG-CG2 4.08Å
166I97.8Very high95.4Very high5 Ų572.2 Ų72.23%0.02640%0.403CS..Hα-helixtrans-63.9-50175.9-65.8156.5000110.1L147 Y162 T163 K168 L169 C170 K176 V179 I180 L183 W188L147-I166 HydrophobicContact CD1-CD1 3.96Å; L147-I166 HydrophobicContact CD2-CD1 3.66Å; L147-I166 HydrophobicContact CG-CD1 4.37Å; Y162-I166 WeakPolarHBondContact O-CD1 3.44Å; Y162-I166 VanDerWaalsContact O-CG1 3.29Å; Y162-I166 WeakPolarHBondContact O-CG1 3.48Å; Y162-I166 PolarHBondContact O-N 3.18Å; T163-I166 WeakPolarHBondContact O-CB 3.37Å; T163-I166 PolarHBondContact O-N 3.25Å; I166-K168 VanDerWaalsContact C-N 3.27Å; I166-K168 PolarHBondContact O-N 3.33Å; I166-L169 PolarHBondContact O-N 2.87Å; I166-L169 VanDerWaalsContact O-N 3.15Å; I166-C170 WeakPolarHBondContact O-CB 3.5Å; I166-C170 PolarHBondContact O-N 3.01Å; I166-C170 PolarHBondContact O-SG 3.32Å; I166-K176 HydrophobicContact CG2-CG 4.3Å; I166-V179 HydrophobicContact CB-CG1 4.25Å; I166-V179 HydrophobicContact CG1-CG1 4.34Å; I166-V179 HydrophobicContact CG2-CG1 4.01Å; I166-I180 HydrophobicContact CD1-CD1 4.48Å; I166-I180 HydrophobicContact CD1-CG1 3.88Å; I166-I180 HydrophobicContact CG1-CG1 4.04Å; I166-I180 HydrophobicContact CG2-CG1 4.23Å; I166-L183 HydrophobicContact CG1-CD1 3.85Å; I166-W188 HydrophobicContact CD1-CH2 4.06Å; I166-W188 HydrophobicContact CD1-CZ3 4.15Å; I166-W188 HydrophobicContact CG1-CH2 4.3Å; I166-W188 HydrophobicContact CG1-CZ3 4.04Å
167D97.4Very high95.6Very high88 Ų8870.4 Ų70.447%0.47139%0.388SS..Hα-helixtrans-60.1-39.2-178.7-66.8-22.4000111.5T163 R164 L169 C170 A171T163-D167 VanDerWaalsContact O-CG 3.25Å; T163-D167 PolarHBondContact O-N 3.06Å; R164-D167 PolarHBondContact O-N 3.15Å; D167-L169 PolarHBondContact O-N 3.48Å; D167-C170 PolarHBondContact O-N 3.36Å; D167-A171 VanDerWaalsContact O-CB 3.28Å; D167-A171 WeakPolarHBondContact O-CB 3.32Å; D167-A171 PolarHBondContact O-N 3.28Å
168K97.4Very high96.1Very high127 Ų12767 Ų6755%0.55237%0.371SS*.Hα-helixtrans-57.7-47.8175.2-176.7-177.8177.3-174.40112R164 I166 M172R164-K168 WeakPolarHBondContact O-CB 3.3Å; R164-K168 PolarHBondContact O-N 3.31Å; I166-K168 VanDerWaalsContact C-N 3.27Å; I166-K168 PolarHBondContact O-N 3.33Å; K168-M172 WeakPolarHBondContact O-CG 3.35Å
169L97.4Very high96.6Very high0 Ų066.2 Ų66.20%037%0.366CS..Hα-helixtrans-75.9-34.2-179.5-65.2-175.5000112.3K165 I166 D167 A171 M172 F174 V179 L183 V190 A193 T194 L197K165-L169 PolarHBondContact O-N 3.4Å; I166-L169 PolarHBondContact O-N 2.87Å; I166-L169 VanDerWaalsContact O-N 3.15Å; D167-L169 PolarHBondContact O-N 3.48Å; L169-A171 VanDerWaalsContact C-N 3.3Å; L169-A171 PolarHBondContact O-N 2.78Å; L169-M172 HydrophobicContact CD2-SD 3.74Å; L169-M172 WeakPolarHBondContact O-CB 3.16Å; L169-M172 PolarHBondContact O-N 3.03Å; L169-M172 VanDerWaalsContact O-N 3.11Å; L169-F174 HydrophobicContact CB-CD2 4.4Å; L169-F174 WeakPolarHBondContact O-CD2 3.42Å; L169-V179 HydrophobicContact CB-CB 4.43Å; L169-V179 HydrophobicContact CB-CG1 3.74Å; L169-V179 HydrophobicContact CB-CG2 3.76Å; L169-V179 HydrophobicContact CD1-CG1 4.13Å; L169-V179 HydrophobicContact CG-CG1 4.49Å; L169-L183 HydrophobicContact CD1-CD1 4.01Å; L169-L183 HydrophobicContact CD1-CD2 3.93Å; L169-L183 HydrophobicContact CD1-CG 3.9Å; L169-V190 HydrophobicContact CD2-CG1 4.02Å; L169-A193 HydrophobicContact CD1-CB 4.38Å; L169-T194 VanDerWaalsContact CD2-OG1 3.3Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.44Å; L169-L197 HydrophobicContact CD1-CD1 3.94Å
170C97.6Very high97Very high37 Ų3765.3 Ų65.325%0.2536%0.359CS..Hα-helixtrans-63.7-37.3172.9-65.20000111.5I166 D167 M172 G173I166-C170 WeakPolarHBondContact O-CB 3.5Å; I166-C170 PolarHBondContact O-N 3.01Å; I166-C170 PolarHBondContact O-SG 3.32Å; D167-C170 PolarHBondContact O-N 3.36Å; C170-M172 PolarHBondContact O-N 3.43Å; C170-G173 PolarHBondContact O-N 2.8Å
171A97.4Very high97.1Very high90 Ų9063.1 Ų63.174%0.74435%0.348SS*.THydrogen-bonded Turntrans-64.9-1917500000113.3D167 L169 G173D167-A171 VanDerWaalsContact O-CB 3.28Å; D167-A171 WeakPolarHBondContact O-CB 3.32Å; D167-A171 PolarHBondContact O-N 3.28Å; L169-A171 VanDerWaalsContact C-N 3.3Å; L169-A171 PolarHBondContact O-N 2.78Å; A171-G173 VanDerWaalsContact C-N 3.26Å
172M96Very high97.2Very high109 Ų10958.9 Ų58.954%0.53733%0.326SS..THydrogen-bonded Turntrans-82.7-1.9171.7-62.1169.362.300113K168 L169 C170 F174 T194K168-M172 WeakPolarHBondContact O-CG 3.35Å; L169-M172 HydrophobicContact CD2-SD 3.74Å; L169-M172 WeakPolarHBondContact O-CB 3.16Å; L169-M172 PolarHBondContact O-N 3.03Å; L169-M172 VanDerWaalsContact O-N 3.11Å; C170-M172 PolarHBondContact O-N 3.43Å; 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 4.2Å
173G96.5Very high97.3Very high69 Ų6957.6 Ų57.671%0.71132%0.321SS*.THydrogen-bonded Turntrans983.4175.700000115.3C170 A171C170-G173 PolarHBondContact O-N 2.8Å; A171-G173 VanDerWaalsContact C-N 3.26Å
174F97.7Very high97.4Very high45 Ų4555.3 Ų55.320%0.19731%0.307CS..  trans-75.3146.4177.1-62.1-63.3000112.3L169 M172 V179 T194 L197 L198L169-F174 HydrophobicContact CB-CD2 4.4Å; L169-F174 WeakPolarHBondContact O-CD2 3.42Å; 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 4.35Å; F174-L197 HydrophobicContact CB-CD1 4.32Å; F174-L197 HydrophobicContact CD1-CB 3.92Å; F174-L197 HydrophobicContact CD1-CD1 4.48Å; F174-L197 HydrophobicContact CD2-CB 4.48Å; F174-L197 HydrophobicContact CD2-CD1 3.91Å; F174-L197 HydrophobicContact CE1-CB 3.79Å; F174-L197 HydrophobicContact CE2-CB 4.36Å; F174-L197 HydrophobicContact CE2-CD1 4.32Å; F174-L197 HydrophobicContact CG-CB 4.27Å; F174-L197 HydrophobicContact CG-CD1 4Å; F174-L197 HydrophobicContact CZ-CB 4.02Å; F174-L198 HydrophobicContact CE1-CD2 4.17Å; F174-L198 HydrophobicContact CZ-CD2 3.79Å; F174-L198 HydrophobicContact CZ-CG 4.1Å
175D97.3Very high97.4Very high96 Ų9649.1 Ų49.151%0.51329%0.29SS..  trans-60.3136.2173.8170.2-101.8000111.4N177 A178 V179D175-N177 VanDerWaalsContact C-N 3.33Å; D175-N177 PolarHBondContact O-N 3.01Å; D175-N177 WeakPolarHBondContact OD1-CA 3.48Å; D175-N177 VanDerWaalsContact OD1-CB 3.28Å; D175-N177 WeakPolarHBondContact OD1-CB 3.36Å; D175-N177 PolarHBondContact OD1-N 2.77Å; D175-A178 HydrophobicContact CB-CB 4.07Å; D175-A178 PolarHBondContact O-N 2.97Å; D175-A178 PolarHBondContact OD1-N 3Å; D175-V179 VanDerWaalsContact O-CG2 3.3Å; D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.03Å
176K96.8Very high97.4Very high105 Ų10549.8 Ų49.846%0.45729%0.293SS..Hα-helixtrans-61.1-38.8-175.4-175.1174.7-179.1175.70112.9I166 V179 I180I166-K176 HydrophobicContact CG2-CG 4.3Å; K176-V179 PolarHBondContact O-N 2.89Å; K176-I180 HydrophobicContact CG-CD1 4.03Å; K176-I180 VanDerWaalsContact O-CG1 3.29Å; K176-I180 WeakPolarHBondContact O-CG1 3.39Å; K176-I180 PolarHBondContact O-N 3.4Å
177N96.4Very high97.3Very high68 Ų6853 Ų5336%0.36432%0.315SS..Hα-helixtrans-71.2-40.7179.9-60.7-43.5000110.9Y152 D175 V179 I180 A181Y152-N177 VanDerWaalsContact CE1-OD1 3.3Å; Y152-N177 WeakPolarHBondContact CE1-OD1 3.26Å; Y152-N177 PolarHBondContact OH-OD1 3.24Å; D175-N177 VanDerWaalsContact C-N 3.33Å; D175-N177 PolarHBondContact O-N 3.01Å; D175-N177 WeakPolarHBondContact OD1-CA 3.48Å; D175-N177 VanDerWaalsContact OD1-CB 3.28Å; D175-N177 WeakPolarHBondContact OD1-CB 3.36Å; D175-N177 PolarHBondContact OD1-N 2.77Å; N177-V179 VanDerWaalsContact C-N 3.35Å; N177-I180 PolarHBondContact O-N 3.05Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.42Å
178A97.1Very high97.4Very high38 Ų3849 Ų4931%0.31429%0.294SS..Hα-helixtrans-60.4-44.9173.600000111.2D175 A181 A182 L197D175-A178 HydrophobicContact CB-CB 4.07Å; D175-A178 PolarHBondContact O-N 2.97Å; D175-A178 PolarHBondContact OD1-N 3Å; A178-A181 PolarHBondContact O-N 2.79Å; A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 3.37Å; A178-L197 HydrophobicContact CB-CD2 3.81Å
179V98.3Very high97.4Very high0 Ų046 Ų460%028%0.284CS..Hα-helixtrans-59-49176.61660000111.7I166 L169 F174 D175 K176 N177 A181 A182 L183 L197I166-V179 HydrophobicContact CB-CG1 4.25Å; I166-V179 HydrophobicContact CG1-CG1 4.34Å; I166-V179 HydrophobicContact CG2-CG1 4.01Å; L169-V179 HydrophobicContact CB-CB 4.43Å; L169-V179 HydrophobicContact CB-CG1 3.74Å; L169-V179 HydrophobicContact CB-CG2 3.76Å; L169-V179 HydrophobicContact CD1-CG1 4.13Å; L169-V179 HydrophobicContact CG-CG1 4.49Å; F174-V179 HydrophobicContact CB-CG2 3.45Å; F174-V179 VanDerWaalsContact CB-CG2 3.45Å; F174-V179 HydrophobicContact CG-CG2 4.45Å; D175-V179 VanDerWaalsContact O-CG2 3.3Å; D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.03Å; K176-V179 PolarHBondContact O-N 2.89Å; N177-V179 VanDerWaalsContact C-N 3.35Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.06Å; V179-A182 PolarHBondContact O-N 3.18Å; V179-L183 HydrophobicContact CG1-CD1 3.75Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.43Å; V179-L183 WeakPolarHBondContact O-CG 3.42Å; V179-L183 PolarHBondContact O-N 2.86Å; V179-L197 HydrophobicContact CG2-CD1 3.91Å
180I98.1Very high97.3Very high0 Ų047.4 Ų47.40%029%0.293CS..Hα-helixtrans-61.4-44.9179.5-70.9167.6000110.4W148 V151 Y152 I166 K176 N177 S184W148-I180 HydrophobicContact CZ2-CG2 4.11Å; V151-I180 HydrophobicContact CB-CD1 4.41Å; V151-I180 HydrophobicContact CG1-CD1 3.8Å; V151-I180 HydrophobicContact CG2-CD1 4.17Å; Y152-I180 HydrophobicContact CE2-CG2 4.23Å; I166-I180 HydrophobicContact CD1-CD1 4.48Å; I166-I180 HydrophobicContact CD1-CG1 3.88Å; I166-I180 HydrophobicContact CG1-CG1 4.04Å; I166-I180 HydrophobicContact CG2-CG1 4.23Å; K176-I180 HydrophobicContact CG-CD1 4.03Å; K176-I180 VanDerWaalsContact O-CG1 3.29Å; K176-I180 WeakPolarHBondContact O-CG1 3.39Å; K176-I180 PolarHBondContact O-N 3.4Å; N177-I180 PolarHBondContact O-N 3.05Å; I180-S184 WeakPolarHBondContact O-CB 3.17Å; I180-S184 PolarHBondContact O-N 3.37Å; I180-S184 PolarHBondContact O-OG 2.9Å
181A97.3Very high97.3Very high40 Ų4052.8 Ų52.833%0.33131%0.314SS..Hα-helixtrans-64-43.9178.400000112.2N177 A178 V179 S184 S185N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.42Å; A178-A181 PolarHBondContact O-N 2.79Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.06Å; A181-S184 PolarHBondContact O-N 2.86Å; A181-S185 VanDerWaalsContact O-CB 3.31Å; A181-S185 WeakPolarHBondContact O-CB 3.4Å; A181-S185 PolarHBondContact O-N 3.04Å; A181-S185 PolarHBondContact O-OG 3.11Å
182A97.8Very high97.3Very high4 Ų451 Ų513%0.03329%0.294CS..Hα-helixtrans-63.2-51.6178.100000111.6A178 V179 S184 S185 K186 A193 L196 L197A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 3.37Å; V179-A182 PolarHBondContact O-N 3.18Å; A182-S184 PolarHBondContact O-N 3.01Å; A182-S185 PolarHBondContact O-N 2.73Å; A182-S185 PolarHBondContact O-OG 3Å; A182-K186 VanDerWaalsContact O-CB 3.32Å; A182-K186 WeakPolarHBondContact O-CB 3.48Å; A182-K186 WeakPolarHBondContact O-CG 3.47Å; A182-K186 PolarHBondContact O-N 3.37Å; A182-A193 HydrophobicContact CB-CB 4.15Å; A182-L196 HydrophobicContact CB-CD2 3.98Å; A182-L197 HydrophobicContact CB-CD1 4.19Å; A182-L197 HydrophobicContact CB-CD2 3.95Å; A182-L197 HydrophobicContact CB-CG 3.78Å
183L98.3Very high97.4Very high0 Ų045.8 Ų45.80%027%0.268CS..Hα-helixtrans-60.3-43.9177.3-74.9169.4000112K165 I166 L169 V179 S185 K186 S187 W188 V190 A193K165-L183 HydrophobicContact CB-CD1 4.08Å; I166-L183 HydrophobicContact CG1-CD1 3.85Å; L169-L183 HydrophobicContact CD1-CD1 4.01Å; L169-L183 HydrophobicContact CD1-CD2 3.93Å; L169-L183 HydrophobicContact CD1-CG 3.9Å; V179-L183 HydrophobicContact CG1-CD1 3.75Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.43Å; V179-L183 WeakPolarHBondContact O-CG 3.42Å; V179-L183 PolarHBondContact O-N 2.86Å; L183-S185 PolarHBondContact O-N 3.09Å; L183-K186 CarbonylContact O-C 3.27Å; L183-K186 PolarHBondContact O-N 2.87Å; L183-S187 PolarHBondContact O-N 3.49Å; L183-W188 HydrophobicContact CB-CD2 4.32Å; L183-W188 HydrophobicContact CB-CE3 3.86Å; L183-W188 HydrophobicContact CB-CH2 4.17Å; L183-W188 HydrophobicContact CB-CZ3 3.79Å; L183-W188 HydrophobicContact CD1-CE3 4.22Å; L183-W188 HydrophobicContact CD1-CZ3 3.82Å; L183-W188 HydrophobicContact CG-CE3 4.45Å; L183-W188 HydrophobicContact CG-CZ3 4.37Å; L183-W188 WeakPolarHBondContact O-CA 3.41Å; L183-W188 PolarHBondContact O-N 2.93Å; L183-V190 HydrophobicContact CD2-CG2 4.42Å; L183-A193 HydrophobicContact CD2-CB 3.7Å; L183-A193 HydrophobicContact CG-CB 4.08Å
184S98.1Very high97.4Very high0 Ų043.6 Ų43.60%024%0.241CC..Hα-helixtrans-64.7-39.6-178.9-57.50000112.2Q133 T144 W148 I180 A181 A182Q133-S184 PolarHBondContact NE2-O 2.71Å; Q133-S184 VanDerWaalsContact NE2-O 3.13Å; T144-S184 WeakPolarHBondContact CG2-OG 3.17Å; W148-S184 PolarHBondContact NE1-OG 2.97Å; I180-S184 WeakPolarHBondContact O-CB 3.17Å; I180-S184 PolarHBondContact O-N 3.37Å; I180-S184 PolarHBondContact O-OG 2.9Å; A181-S184 PolarHBondContact O-N 2.86Å; A182-S184 PolarHBondContact O-N 3.01Å
185S96.9Very high97.4Very high41 Ų4147.5 Ų47.529%0.28726%0.26SS..Hα-helixtrans-78.1-20.7179.361.80000114A181 A182 L183A181-S185 VanDerWaalsContact O-CB 3.31Å; A181-S185 WeakPolarHBondContact O-CB 3.4Å; A181-S185 PolarHBondContact O-N 3.04Å; A181-S185 PolarHBondContact O-OG 3.11Å; A182-S185 PolarHBondContact O-N 2.73Å; A182-S185 PolarHBondContact O-OG 3Å; L183-S185 PolarHBondContact O-N 3.09Å
186K97.4Very high97.3Very high83 Ų8345.4 Ų45.436%0.36125%0.248SC..THydrogen-bonded Turntrans-106.432.3178.8-61.4-62.2-177.6174.90112.8A182 L183 W188 D189 A193 L196A182-K186 VanDerWaalsContact O-CB 3.32Å; A182-K186 WeakPolarHBondContact O-CB 3.48Å; A182-K186 WeakPolarHBondContact O-CG 3.47Å; A182-K186 PolarHBondContact O-N 3.37Å; L183-K186 CarbonylContact O-C 3.27Å; L183-K186 PolarHBondContact O-N 2.87Å; K186-W188 PolarHBondContact O-N 3.4Å; K186-D189 WeakPolarHBondContact O-CB 3.49Å; K186-D189 PolarHBondContact O-N 3.09Å; K186-A193 HydrophobicContact CB-CB 4.28Å; K186-L196 HydrophobicContact CG-CD2 4.28Å
187S96.7Very high97.3Very high72 Ų7240.9 Ų40.950%0.50323%0.229SC..THydrogen-bonded Turntrans5432.5174.1-58.80000114.3M140 L183 D189M140-S187 WeakPolarHBondContact CE-O 3.33Å; L183-S187 PolarHBondContact O-N 3.49Å; S187-D189 PolarHBondContact O-N 3.45Å
188W97.8Very high97.2Very high4 Ų443.4 Ų43.42%0.01524%0.242CC..THydrogen-bonded Turntrans60.721-176.6-64.687.2000114.8T144 L147 Y162 K165 I166 L183 K186T144-W188 HydrophobicContact CG2-CZ2 4.2Å; T144-W188 PolarHBondContact OG1-NE1 3.03Å; L147-W188 HydrophobicContact CD2-CH2 3.08Å; L147-W188 HydrophobicContact CD2-CZ2 3.42Å; L147-W188 VanDerWaalsContact CD2-CZ2 3.42Å; L147-W188 HydrophobicContact CD2-CZ3 4.18Å; Y162-W188 AromaticContact CD1-CD2 3.73Å; Y162-W188 HydrophobicContact CD1-CD2 3.73Å; Y162-W188 AromaticContact CD1-CE3 3.73Å; Y162-W188 HydrophobicContact CD1-CE3 3.73Å; Y162-W188 HydrophobicContact CD1-CG 4.15Å; Y162-W188 HydrophobicContact CD1-CZ3 4.28Å; Y162-W188 AromaticContact CD2-CD2 3.75Å; Y162-W188 HydrophobicContact CD2-CD2 3.75Å; Y162-W188 AromaticContact CD2-CE2 3.34Å; Y162-W188 HydrophobicContact CD2-CE3 4.06Å; Y162-W188 AromaticContact CD2-CH2 3.81Å; Y162-W188 HydrophobicContact CD2-CH2 3.81Å; Y162-W188 AromaticContact CD2-CZ2 3.38Å; Y162-W188 HydrophobicContact CD2-CZ2 3.38Å; Y162-W188 HydrophobicContact CD2-CZ3 4.08Å; Y162-W188 AromaticContact CD2-NE1 3.83Å; Y162-W188 HydrophobicContact CE1-CB 4.27Å; Y162-W188 AromaticContact CE1-CD2 3.77Å; Y162-W188 HydrophobicContact CE1-CD2 3.77Å; Y162-W188 HydrophobicContact CE1-CE3 4.23Å; 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 3.78Å; Y162-W188 HydrophobicContact CE2-CD2 3.78Å; Y162-W188 AromaticContact CE2-CE2 3.29Å; Y162-W188 HydrophobicContact CE2-CG 4.11Å; Y162-W188 AromaticContact CE2-CZ2 3.77Å; Y162-W188 HydrophobicContact CE2-CZ2 3.77Å; Y162-W188 AromaticContact CE2-NE1 3.25Å; Y162-W188 AromaticContact CG-CD2 3.72Å; Y162-W188 HydrophobicContact CG-CD2 3.72Å; Y162-W188 AromaticContact CG-CE2 3.81Å; Y162-W188 AromaticContact CG-CE3 3.63Å; Y162-W188 HydrophobicContact CG-CE3 3.63Å; Y162-W188 AromaticContact CG-CH2 3.93Å; Y162-W188 HydrophobicContact CG-CH2 3.93Å; Y162-W188 AromaticContact CG-CZ2 3.93Å; Y162-W188 HydrophobicContact CG-CZ2 3.93Å; Y162-W188 AromaticContact CG-CZ3 3.73Å; Y162-W188 HydrophobicContact CG-CZ3 3.73Å; Y162-W188 AromaticContact CZ-CD1 3.51Å; Y162-W188 AromaticContact CZ-CD2 3.78Å; Y162-W188 AromaticContact CZ-CE2 3.75Å; Y162-W188 AromaticContact CZ-CG 3.7Å; Y162-W188 AromaticContact CZ-NE1 3.5Å; K165-W188 HydrophobicContact CB-CE3 4.47Å; K165-W188 HydrophobicContact CD-CB 4.42Å; K165-W188 HydrophobicContact CD-CE3 4.13Å; K165-W188 PolarHBondContact NZ-O 3.19Å; I166-W188 HydrophobicContact CD1-CH2 4.06Å; I166-W188 HydrophobicContact CD1-CZ3 4.15Å; I166-W188 HydrophobicContact CG1-CH2 4.3Å; I166-W188 HydrophobicContact CG1-CZ3 4.04Å; L183-W188 HydrophobicContact CB-CD2 4.32Å; L183-W188 HydrophobicContact CB-CE3 3.86Å; L183-W188 HydrophobicContact CB-CH2 4.17Å; L183-W188 HydrophobicContact CB-CZ3 3.79Å; L183-W188 HydrophobicContact CD1-CE3 4.22Å; L183-W188 HydrophobicContact CD1-CZ3 3.82Å; L183-W188 HydrophobicContact CG-CE3 4.45Å; L183-W188 HydrophobicContact CG-CZ3 4.37Å; L183-W188 WeakPolarHBondContact O-CA 3.41Å; L183-W188 PolarHBondContact O-N 2.93Å; K186-W188 PolarHBondContact O-N 3.4Å
189D97.6Very high97Very high66 Ų6645.7 Ų45.735%0.35326%0.256SS..  trans-80125.2170.9178.7-104.6000110.5K186 S187 E191 T192 A193K186-D189 WeakPolarHBondContact O-CB 3.49Å; K186-D189 PolarHBondContact O-N 3.09Å; S187-D189 PolarHBondContact O-N 3.45Å; D189-E191 PolarHBondContact OD1-N 2.81Å; D189-T192 WeakPolarHBondContact CB-OG1 3.41Å; D189-T192 VanDerWaalsContact OD1-CB 3.32Å; D189-T192 WeakPolarHBondContact OD1-CB 3.33Å; D189-T192 VanDerWaalsContact OD1-CG2 3.31Å; D189-T192 WeakPolarHBondContact OD1-CG2 3.3Å; D189-T192 PolarHBondContact OD1-N 3.26Å; D189-T192 PolarHBondContact OD1-OG1 3.18Å; D189-A193 WeakPolarHBondContact O-CB 3.25Å; D189-A193 PolarHBondContact O-N 3.09Å
190V97.2Very high95.7Very high29 Ų2954.1 Ų54.118%0.17630%0.301CS..Hα-helixtrans-76.4-35.3-171.6177.50000111.1K165 L169 L183 T194K165-V190 HydrophobicContact CB-CG2 4.48Å; K165-V190 HydrophobicContact CD-CG2 4.18Å; K165-V190 HydrophobicContact CG-CG2 4.08Å; L169-V190 HydrophobicContact CD2-CG1 4.02Å; L183-V190 HydrophobicContact CD2-CG2 4.42Å; V190-T194 WeakPolarHBondContact O-CB 3.44Å; V190-T194 PolarHBondContact O-N 3.1Å; V190-T194 PolarHBondContact O-OG1 2.91Å
191E96.9Very high95.6Very high150 Ų15056.8 Ų56.870%0.70132%0.316SS*.Hα-helixtrans-67.6-56.5-176.8-65.5-178.9179.200110.2D189 A193 T194 E195D189-E191 PolarHBondContact OD1-N 2.81Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.41Å; E191-T194 WeakPolarHBondContact O-CB 3.47Å; E191-T194 PolarHBondContact O-N 3.19Å; E191-E195 WeakPolarHBondContact O-CG 3.19Å; E191-E195 PolarHBondContact O-N 3.02Å
192T97.3Very high95.5Very high52 Ų5257.7 Ų57.732%0.31932%0.315SS..Hα-helixtrans-67.6-29-179.958.30000113.4D189 L196D189-T192 WeakPolarHBondContact CB-OG1 3.41Å; D189-T192 VanDerWaalsContact OD1-CB 3.32Å; D189-T192 WeakPolarHBondContact OD1-CB 3.33Å; D189-T192 VanDerWaalsContact OD1-CG2 3.31Å; D189-T192 WeakPolarHBondContact OD1-CG2 3.3Å; D189-T192 PolarHBondContact OD1-N 3.26Å; D189-T192 PolarHBondContact OD1-OG1 3.18Å; T192-L196 WeakPolarHBondContact O-CB 3.31Å; T192-L196 PolarHBondContact O-N 2.7Å; T192-L196 VanDerWaalsContact O-N 3.11Å
193A97.3Very high95.4Very high0 Ų060.7 Ų60.70%033%0.331CS..Hα-helixtrans-68.7-38.5170.500000111.9L169 A182 L183 K186 D189 E191 L196 L197L169-A193 HydrophobicContact CD1-CB 4.38Å; A182-A193 HydrophobicContact CB-CB 4.15Å; 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 3.25Å; D189-A193 PolarHBondContact O-N 3.09Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.41Å; A193-L196 PolarHBondContact O-N 2.87Å; A193-L197 VanDerWaalsContact O-CG 3.26Å; A193-L197 WeakPolarHBondContact O-CG 3.47Å; A193-L197 PolarHBondContact O-N 2.84Å
194T97.1Very high95.2Very high23 Ų2364.2 Ų64.214%0.14135%0.35CS..Hα-helixtrans-66.5-43.6176.2-56.60000110.9L169 M172 F174 V190 E191 L196 L197 L198L169-T194 VanDerWaalsContact CD2-OG1 3.3Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.44Å; M172-T194 HydrophobicContact CE-CG2 4.2Å; F174-T194 HydrophobicContact CE2-CG2 4.35Å; V190-T194 WeakPolarHBondContact O-CB 3.44Å; V190-T194 PolarHBondContact O-N 3.1Å; V190-T194 PolarHBondContact O-OG1 2.91Å; E191-T194 WeakPolarHBondContact O-CB 3.47Å; E191-T194 PolarHBondContact O-N 3.19Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 PolarHBondContact O-N 2.85Å; T194-L197 PolarHBondContact O-N 3.5Å; T194-L197 VanDerWaalsContact O-N 3.14Å; T194-L198 HydrophobicContact CG2-CD1 4Å; T194-L198 HydrophobicContact CG2-CG 4.35Å; T194-L198 WeakPolarHBondContact O-CG 3.4Å; T194-L198 PolarHBondContact O-N 3.25Å
195E97Very high95.1Very high127 Ų12768.3 Ų68.359%0.59337%0.372SS*.Hα-helixtrans-56.9-44.8174.4-71177.4169.800111.6E191 L197 L198 S199E191-E195 WeakPolarHBondContact O-CG 3.19Å; E191-E195 PolarHBondContact O-N 3.02Å; E195-L197 VanDerWaalsContact C-N 3.35Å; E195-L197 PolarHBondContact O-N 2.71Å; E195-L198 PolarHBondContact O-N 2.64Å; E195-S199 PolarHBondContact O-N 3.5Å; E195-S199 VanDerWaalsContact O-N 3.12Å
196L96.1Very high94.9Very high51 Ų5170.1 Ų70.127%0.26738%0.378SS..Hα-helixtrans-61.7-42175.7-179.964.4000112A182 K186 T192 A193 T194 L198 S199A182-L196 HydrophobicContact CB-CD2 3.98Å; K186-L196 HydrophobicContact CG-CD2 4.28Å; T192-L196 WeakPolarHBondContact O-CB 3.31Å; T192-L196 PolarHBondContact O-N 2.7Å; T192-L196 VanDerWaalsContact O-N 3.11Å; A193-L196 PolarHBondContact O-N 2.87Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 PolarHBondContact O-N 2.85Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-S199 PolarHBondContact O-N 3.27Å; L196-S199 PolarHBondContact O-OG 3.5Å
197L96.4Very high94.8Very high11 Ų1169.1 Ų69.16%0.05838%0.379CS..Hα-helixtrans-67.3-33.9178.9-72.5165.9000113L169 F174 A178 V179 A182 A193 T194 E195 S199L169-L197 HydrophobicContact CD1-CD1 3.94Å; F174-L197 HydrophobicContact CB-CD1 4.32Å; F174-L197 HydrophobicContact CD1-CB 3.92Å; F174-L197 HydrophobicContact CD1-CD1 4.48Å; F174-L197 HydrophobicContact CD2-CB 4.48Å; F174-L197 HydrophobicContact CD2-CD1 3.91Å; F174-L197 HydrophobicContact CE1-CB 3.79Å; F174-L197 HydrophobicContact CE2-CB 4.36Å; F174-L197 HydrophobicContact CE2-CD1 4.32Å; F174-L197 HydrophobicContact CG-CB 4.27Å; F174-L197 HydrophobicContact CG-CD1 4Å; F174-L197 HydrophobicContact CZ-CB 4.02Å; A178-L197 HydrophobicContact CB-CD2 3.81Å; V179-L197 HydrophobicContact CG2-CD1 3.91Å; A182-L197 HydrophobicContact CB-CD1 4.19Å; A182-L197 HydrophobicContact CB-CD2 3.95Å; A182-L197 HydrophobicContact CB-CG 3.78Å; A193-L197 VanDerWaalsContact O-CG 3.26Å; A193-L197 WeakPolarHBondContact O-CG 3.47Å; A193-L197 PolarHBondContact O-N 2.84Å; T194-L197 PolarHBondContact O-N 3.5Å; T194-L197 VanDerWaalsContact O-N 3.14Å; E195-L197 VanDerWaalsContact C-N 3.35Å; E195-L197 PolarHBondContact O-N 2.71Å; L197-S199 VanDerWaalsContact C-N 3.31Å
198L94.8Very high94.6Very high121 Ų12168.9 Ų68.963%0.63437%0.369SS*.Hα-helixtrans-75.6-20.7176.5-70.4171.5000113.1F174 T194 E195 L196F174-L198 HydrophobicContact CE1-CD2 4.17Å; F174-L198 HydrophobicContact CZ-CD2 3.79Å; F174-L198 HydrophobicContact CZ-CG 4.1Å; T194-L198 HydrophobicContact CG2-CD1 4Å; T194-L198 HydrophobicContact CG2-CG 4.35Å; T194-L198 WeakPolarHBondContact O-CG 3.4Å; T194-L198 PolarHBondContact O-N 3.25Å; E195-L198 PolarHBondContact O-N 2.64Å; L196-L198 VanDerWaalsContact C-N 3.35Å
199S91.6Very high94.3Very high86 Ų8674.3 Ų74.360%0.60140%0.399SS*.THydrogen-bonded Turntrans-84-9.117968.80000114.6E195 L196 L197E195-S199 PolarHBondContact O-N 3.5Å; E195-S199 VanDerWaalsContact O-N 3.12Å; L196-S199 PolarHBondContact O-N 3.27Å; L196-S199 PolarHBondContact O-OG 3.5Å; L197-S199 VanDerWaalsContact C-N 3.31Å
200N72.7Confident94Very high176 Ų17675.1 Ų75.194%0.94140%0.403SS*.  trans-98.40177.8-71.4-26.4000111.2

Retrieved 200 of 200 residues in 966.9 ms (Link to these results)

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