A0A077Z3J4_TRITR Loading...

Chromatin modification-related protein MEAF6

AlphaFold DB , UniProt , Accession A0A077Z3J4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M48.6Very low82.6Confident242 Ų242124.4 Ų124.4100%1.19268%0.684SS**  0117.20-69-132.6-115.500108.1
2S68Low83.5Confident118 Ų118118.6 Ų118.683%0.82567%0.665SS**PPolyproline II helixtrans-70.8124.2174.7174.70000108.9I4S2-I4 PolarHBondContact O-N 2.98Å
3A76.8Confident84.3Confident93 Ų93118.2 Ų118.277%0.76965%0.652SS**PPolyproline II helixtrans-72.1117.9174.200000108.9S5A3-S5 PolarHBondContact O-N 3.03Å
4I80.3Confident85Confident126 Ų126113.6 Ų113.665%0.64664%0.638SS**PPolyproline II helixtrans-57.8128.5172.8-63.1171.1000107.8S2 D8 F9S2-I4 PolarHBondContact O-N 2.98Å; I4-D8 HydrophobicContact CG2-CB 3.63Å; I4-F9 HydrophobicContact CG2-CB 4.29Å
5S86.8Confident85.7Confident49 Ų49109.9 Ų109.934%0.34362%0.622SS.*PPolyproline II helixtrans-67.4151.9179.981.90000110.2A3 K7 D8 F9A3-S5 PolarHBondContact O-N 3.03Å; S5-K7 PolarHBondContact O-N 3.07Å; S5-K7 VanDerWaalsContact O-N 3.07Å; S5-K7 PolarHBondContact OG-N 2.91Å; S5-D8 VanDerWaalsContact CB-OD2 3.27Å; S5-D8 WeakPolarHBondContact CB-OD2 3.4Å; S5-D8 PolarHBondContact N-OD2 3.01Å; S5-D8 PolarHBondContact O-N 3.29Å; S5-D8 PolarHBondContact OG-N 3.45Å; S5-D8 VanDerWaalsContact OG-N 3.13Å; S5-D8 PolarHBondContact OG-OD2 2.92Å; S5-F9 PolarHBondContact O-N 3.41Å
6K89.1Confident86.3Confident196 Ų196106.1 Ų106.185%0.85261%0.609SS**Hα-helixtrans-53.6-31.5174.9-70.7-176.7179.4179.90112.3A10K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.34Å
7K90.9Very high86.8Confident175 Ų175105.7 Ų105.776%0.76160%0.6SS**Hα-helixtrans-70.4-43.3177.3-66.4-176.2179.21800111.7S5 F9 A10 S11S5-K7 PolarHBondContact O-N 3.07Å; S5-K7 VanDerWaalsContact O-N 3.07Å; S5-K7 PolarHBondContact OG-N 2.91Å; K7-F9 VanDerWaalsContact C-N 3.33Å; K7-A10 PolarHBondContact O-N 3.47Å; K7-S11 WeakPolarHBondContact O-CB 3.36Å; K7-S11 PolarHBondContact O-N 3.45Å
8D91.6Very high87.3Confident94 Ų94104.6 Ų104.650%0.50359%0.592SS.*Hα-helixtrans-65-40.2177.2-58-37.7000110.9I4 S5 S11 A12I4-D8 HydrophobicContact CG2-CB 3.63Å; S5-D8 VanDerWaalsContact CB-OD2 3.27Å; S5-D8 WeakPolarHBondContact CB-OD2 3.4Å; S5-D8 PolarHBondContact N-OD2 3.01Å; S5-D8 PolarHBondContact O-N 3.29Å; S5-D8 PolarHBondContact OG-N 3.45Å; S5-D8 VanDerWaalsContact OG-N 3.13Å; S5-D8 PolarHBondContact OG-OD2 2.92Å; D8-S11 PolarHBondContact O-N 2.85Å; D8-A12 VanDerWaalsContact O-CB 3.31Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.88Å
9F90.8Very high87.8Confident137 Ų137104.2 Ų104.260%0.60159%0.588SS**Hα-helixtrans-63.4-46.1174.6-173.7-92.9000112.1I4 S5 K7 S11 A12 F13I4-F9 HydrophobicContact CG2-CB 4.29Å; S5-F9 PolarHBondContact O-N 3.41Å; K7-F9 VanDerWaalsContact C-N 3.33Å; F9-S11 VanDerWaalsContact C-N 3.33Å; F9-S11 PolarHBondContact O-N 3.34Å; F9-A12 PolarHBondContact O-N 2.62Å; F9-F13 WeakPolarHBondContact O-CB 3.31Å; F9-F13 PolarHBondContact O-N 3.13Å
10A92.7Very high88.2Confident56 Ų56104.1 Ų104.146%0.46359%0.589SS.*Hα-helixtrans-62.6-39.7177.200000112.2K6 K7 F13 A14K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.34Å; K7-A10 PolarHBondContact O-N 3.47Å; A10-F13 PolarHBondContact O-N 3.34Å; A10-A14 WeakPolarHBondContact O-CB 3.38Å; A10-A14 PolarHBondContact O-N 3.33Å
11S93.5Very high88.6Confident82 Ų82103.7 Ų103.757%0.57358%0.582SS**Hα-helixtrans-64.9-45.2174.9-177.80000112.2K7 D8 F9 F13 A14 S15K7-S11 WeakPolarHBondContact O-CB 3.36Å; K7-S11 PolarHBondContact O-N 3.45Å; D8-S11 PolarHBondContact O-N 2.85Å; F9-S11 VanDerWaalsContact C-N 3.33Å; F9-S11 PolarHBondContact O-N 3.34Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 2.96Å; S11-A14 PolarHBondContact O-N 3.23Å; S11-S15 WeakPolarHBondContact O-CB 3.35Å; S11-S15 PolarHBondContact O-N 3.46Å; S11-S15 PolarHBondContact O-OG 3.47Å; S11-S15 VanDerWaalsContact O-OG 3.08Å
12A92.9Very high90.9Very high55 Ų5597.8 Ų97.846%0.45555%0.55SS.*Hα-helixtrans-62.3-41.3175.500000111.5D8 F9 S15 A16D8-A12 VanDerWaalsContact O-CB 3.31Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.88Å; F9-A12 PolarHBondContact O-N 2.62Å; A12-S15 WeakPolarHBondContact CA-OG 3.44Å; A12-S15 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-OG 3.4Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.5Å
13F94.2Very high92.2Very high114 Ų11495 Ų9550%0.554%0.535SS..Hα-helixtrans-65.7-46.7176.6-176.2-101.8000112.3F9 A10 S11 S15 A16 Q17F9-F13 WeakPolarHBondContact O-CB 3.31Å; F9-F13 PolarHBondContact O-N 3.13Å; A10-F13 PolarHBondContact O-N 3.34Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 2.96Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.87Å; F13-A16 PolarHBondContact O-N 3.4Å; F13-Q17 HydrophobicContact CD1-CG 4.24Å; F13-Q17 HydrophobicContact CE1-CG 3.89Å; F13-Q17 HydrophobicContact CE2-CG 4.48Å; F13-Q17 HydrophobicContact CZ-CG 4.01Å; F13-Q17 VanDerWaalsContact CZ-NE2 3.29Å; F13-Q17 WeakPolarHBondContact O-CG 3.46Å; F13-Q17 PolarHBondContact O-N 3.48Å
14A94.6Very high93.1Very high54 Ų5498.7 Ų98.745%0.44653%0.529SS..Hα-helixtrans-61-40.2177.500000112.2A10 S11 Q17 L18A10-A14 WeakPolarHBondContact O-CB 3.38Å; A10-A14 PolarHBondContact O-N 3.33Å; S11-A14 PolarHBondContact O-N 3.23Å; A14-Q17 PolarHBondContact O-N 2.94Å; A14-L18 PolarHBondContact O-N 3.32Å
15S95.1Very high93.9Very high58 Ų5899 Ų9941%0.40652%0.522SS..Hα-helixtrans-68.9-38.7175.861.90000112.6S11 A12 F13 L18 N19S11-S15 WeakPolarHBondContact O-CB 3.35Å; S11-S15 PolarHBondContact O-N 3.46Å; S11-S15 PolarHBondContact O-OG 3.47Å; S11-S15 VanDerWaalsContact O-OG 3.08Å; A12-S15 WeakPolarHBondContact CA-OG 3.44Å; A12-S15 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-OG 3.4Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.87Å; S15-L18 PolarHBondContact O-N 3.08Å; S15-N19 VanDerWaalsContact O-CG 3.28Å; S15-N19 PolarHBondContact O-N 2.87Å; S15-N19 PolarHBondContact O-ND2 2.94Å
16A94.6Very high94.4Very high49 Ų49103.6 Ų103.641%0.40553%0.532SS..Hα-helixtrans-62-45.217300000111.7A12 F13 L18 N19 V20A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.5Å; F13-A16 PolarHBondContact O-N 3.4Å; A16-L18 PolarHBondContact O-N 3.12Å; A16-N19 PolarHBondContact O-N 3.04Å; A16-V20 WeakPolarHBondContact O-CG2 3.37Å; A16-V20 PolarHBondContact O-N 3.36Å
17Q95.7Very high94.7Very high99 Ų9999 Ų9946%0.46352%0.517SS..Hα-helixtrans-58.3-46.7175.3-75.4-172.4-39.500111.8F13 A14 N19 V20 E21F13-Q17 HydrophobicContact CD1-CG 4.24Å; F13-Q17 HydrophobicContact CE1-CG 3.89Å; F13-Q17 HydrophobicContact CE2-CG 4.48Å; F13-Q17 HydrophobicContact CZ-CG 4.01Å; F13-Q17 VanDerWaalsContact CZ-NE2 3.29Å; F13-Q17 WeakPolarHBondContact O-CG 3.46Å; F13-Q17 PolarHBondContact O-N 3.48Å; A14-Q17 PolarHBondContact O-N 2.94Å; Q17-N19 VanDerWaalsContact C-N 3.3Å; Q17-N19 PolarHBondContact O-N 2.86Å; Q17-V20 PolarHBondContact O-N 3.2Å; Q17-E21 PolarHBondContact O-N 3.39Å
18L96Very high95Very high86 Ų8695.5 Ų95.545%0.4550%0.503SS..Hα-helixtrans-59.9-40.2176.8-177.866.2000112.2A14 S15 A16 E21 K22A14-L18 PolarHBondContact O-N 3.32Å; S15-L18 PolarHBondContact O-N 3.08Å; A16-L18 PolarHBondContact O-N 3.12Å; L18-E21 PolarHBondContact O-N 2.99Å; L18-K22 HydrophobicContact CG-CD 4.4Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 VanDerWaalsContact O-CG 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.35Å; L18-K22 PolarHBondContact O-N 3.49Å
19N96Very high95.2Very high97 Ų9799.5 Ų99.552%0.51951%0.511SS..Hα-helixtrans-67.7-41.4178.3-72.7-19.7000111.9S15 A16 Q17 K22 A23S15-N19 VanDerWaalsContact O-CG 3.28Å; S15-N19 PolarHBondContact O-N 2.87Å; S15-N19 PolarHBondContact O-ND2 2.94Å; A16-N19 PolarHBondContact O-N 3.04Å; Q17-N19 VanDerWaalsContact C-N 3.3Å; Q17-N19 PolarHBondContact O-N 2.86Å; N19-K22 PolarHBondContact O-N 3.47Å; N19-A23 WeakPolarHBondContact O-CB 3.3Å; N19-A23 PolarHBondContact O-N 3.26Å
20V96.8Very high95.4Very high101 Ų10198.3 Ų98.361%0.61251%0.505SS*.Hα-helixtrans-62.9-43.6175172.50000110.8A16 Q17 K22 A23 R24A16-V20 WeakPolarHBondContact O-CG2 3.37Å; A16-V20 PolarHBondContact O-N 3.36Å; Q17-V20 PolarHBondContact O-N 3.2Å; V20-K22 PolarHBondContact O-N 3.46Å; V20-A23 PolarHBondContact O-N 3.39Å; V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 PolarHBondContact O-N 3Å
21E95.8Very high95.5Very high96 Ų96101 Ų10145%0.44951%0.509SS..Hα-helixtrans-62.2-42.4175.8-75.4-170.3-172.500112.6Q17 L18 R24 R25Q17-E21 PolarHBondContact O-N 3.39Å; L18-E21 PolarHBondContact O-N 2.99Å; E21-R24 PolarHBondContact O-N 3.29Å; E21-R25 WeakPolarHBondContact O-CG 3.39Å; E21-R25 PolarHBondContact O-N 2.96Å; E21-R25 IonicContact OE2-NH2 3.12Å; E21-R25 PolarHBondContact OE2-NH2 3.38Å; E21-R25 VanDerWaalsContact OE2-NH2 3.12Å
22K96.4Very high95.5Very high119 Ų119100.1 Ų100.152%0.51751%0.506SS..Hα-helixtrans-61.8-46175.2-76.2174.7-179.4176.60111.5L18 N19 V20 R24 R25 Y26L18-K22 HydrophobicContact CG-CD 4.4Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 VanDerWaalsContact O-CG 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.35Å; L18-K22 PolarHBondContact O-N 3.49Å; N19-K22 PolarHBondContact O-N 3.47Å; V20-K22 PolarHBondContact O-N 3.46Å; K22-R24 VanDerWaalsContact C-N 3.35Å; K22-R24 PolarHBondContact O-N 2.89Å; K22-R25 PolarHBondContact O-N 3.34Å; K22-Y26 WeakPolarHBondContact O-CB 3.37Å; K22-Y26 PolarHBondContact O-N 3.24Å
23A96.1Very high95.6Very high60 Ų60100.2 Ų100.250%0.49651%0.507SS..Hα-helixtrans-61.7-42.6177.400000111.5N19 V20 Y26 L27N19-A23 WeakPolarHBondContact O-CB 3.3Å; N19-A23 PolarHBondContact O-N 3.26Å; V20-A23 PolarHBondContact O-N 3.39Å; A23-Y26 WeakPolarHBondContact O-CB 3.49Å; A23-Y26 PolarHBondContact O-N 3.39Å; A23-L27 WeakPolarHBondContact O-CB 3.33Å; A23-L27 PolarHBondContact O-N 2.89Å
24R96.6Very high95.5Very high170 Ų17099.4 Ų99.464%0.64251%0.507SS*.Hα-helixtrans-61.3-47.5176-176.3178.9177.6169.71.9112V20 E21 K22 Y26 L27 Q28V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 PolarHBondContact O-N 3Å; E21-R24 PolarHBondContact O-N 3.29Å; K22-R24 VanDerWaalsContact C-N 3.35Å; K22-R24 PolarHBondContact O-N 2.89Å; R24-Y26 VanDerWaalsContact C-N 3.31Å; R24-Y26 PolarHBondContact O-N 3.12Å; R24-L27 PolarHBondContact O-N 3.01Å; R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 3.43Å
25R96.4Very high95.3Very high133 Ų13399.5 Ų99.550%0.50251%0.508SS..Hα-helixtrans-63.2-38.4176.9-70.4178.3-163.5164.212.6111.7E21 K22 R29E21-R25 WeakPolarHBondContact O-CG 3.39Å; E21-R25 PolarHBondContact O-N 2.96Å; E21-R25 IonicContact OE2-NH2 3.12Å; E21-R25 PolarHBondContact OE2-NH2 3.38Å; E21-R25 VanDerWaalsContact OE2-NH2 3.12Å; K22-R25 PolarHBondContact O-N 3.34Å; R25-R29 WeakPolarHBondContact O-CG 3.5Å; R25-R29 PolarHBondContact O-N 3.45Å; R25-R29 VanDerWaalsContact O-N 3.12Å
26Y96.8Very high95.3Very high145 Ų145100.4 Ų100.457%0.56951%0.506SS*.Hα-helixtrans-63.2-48.1175.7179.9-96000111.6K22 A23 R24 Q28 R29 K30K22-Y26 WeakPolarHBondContact O-CB 3.37Å; K22-Y26 PolarHBondContact O-N 3.24Å; A23-Y26 WeakPolarHBondContact O-CB 3.49Å; A23-Y26 PolarHBondContact O-N 3.39Å; R24-Y26 VanDerWaalsContact C-N 3.31Å; R24-Y26 PolarHBondContact O-N 3.12Å; Y26-Q28 PolarHBondContact O-N 3.48Å; Y26-R29 PolarHBondContact O-N 2.91Å; Y26-K30 HydrophobicContact CD1-CG 4.15Å; Y26-K30 HydrophobicContact CE1-CG 3.73Å; Y26-K30 HydrophobicContact CE2-CG 4.36Å; Y26-K30 WeakPolarHBondContact O-CG 3.36Å; Y26-K30 PolarHBondContact O-N 3.25Å; Y26-K30 WeakPolarHBondContact OH-CE 3.3Å
27L96Very high95.3Very high99 Ų99100.3 Ų100.352%0.51851%0.506SS..Hα-helixtrans-58.2-47.2177.6-177.665.2000111.5A23 R24 R29 K30 Q31A23-L27 WeakPolarHBondContact O-CB 3.33Å; A23-L27 PolarHBondContact O-N 2.89Å; R24-L27 PolarHBondContact O-N 3.01Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.37Å; L27-K30 PolarHBondContact O-N 3.21Å; L27-K30 VanDerWaalsContact O-N 3.12Å; L27-Q31 HydrophobicContact CD1-CG 4.47Å; L27-Q31 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 PolarHBondContact O-N 3.17Å
28Q95.8Very high95.2Very high101 Ų10197.4 Ų97.447%0.47249%0.492SS..Hα-helixtrans-58-43.9177.3-74.8176.3-25.100112.5R24 Y26 K30 Q31 A32R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 3.43Å; Y26-Q28 PolarHBondContact O-N 3.48Å; Q28-K30 VanDerWaalsContact C-N 3.34Å; Q28-K30 PolarHBondContact O-N 3.01Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q28-A32 PolarHBondContact O-N 3.34Å
29R96.8Very high94.9Very high178 Ų17898.8 Ų98.867%0.67249%0.491SS*.Hα-helixtrans-64.5-38.7176.3-70.1175.7-165.4173.11.9112.1R25 Y26 L27 A33R25-R29 WeakPolarHBondContact O-CG 3.5Å; R25-R29 PolarHBondContact O-N 3.45Å; R25-R29 VanDerWaalsContact O-N 3.12Å; Y26-R29 PolarHBondContact O-N 2.91Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.37Å; R29-A33 VanDerWaalsContact O-CB 3.3Å; R29-A33 WeakPolarHBondContact O-CB 3.39Å; R29-A33 PolarHBondContact O-N 3.46Å
30K96Very high94.9Very high112 Ų11297.7 Ų97.749%0.48748%0.483SS..Hα-helixtrans-69.1-38.2178.2-72.4-59.5-170.4178.20112.4Y26 L27 Q28 A33 L34Y26-K30 HydrophobicContact CD1-CG 4.15Å; Y26-K30 HydrophobicContact CE1-CG 3.73Å; Y26-K30 HydrophobicContact CE2-CG 4.36Å; Y26-K30 WeakPolarHBondContact O-CG 3.36Å; Y26-K30 PolarHBondContact O-N 3.25Å; Y26-K30 WeakPolarHBondContact OH-CE 3.3Å; L27-K30 PolarHBondContact O-N 3.21Å; L27-K30 VanDerWaalsContact O-N 3.12Å; Q28-K30 VanDerWaalsContact C-N 3.34Å; Q28-K30 PolarHBondContact O-N 3.01Å; K30-A33 PolarHBondContact O-N 3.42Å; K30-L34 WeakPolarHBondContact O-CB 3.48Å; K30-L34 PolarHBondContact O-N 2.97Å
31Q93.5Very high94.7Very high113 Ų11395.7 Ų95.753%0.52847%0.471SS..Hα-helixtrans-64.1-45.9173.5-72.6173.2-30.800111.6L27 Q28 A33 L34 A35L27-Q31 HydrophobicContact CD1-CG 4.47Å; L27-Q31 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 PolarHBondContact O-N 3.17Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q31-A33 VanDerWaalsContact C-N 3.34Å; Q31-A33 PolarHBondContact O-N 2.88Å; Q31-L34 PolarHBondContact O-N 3.07Å; Q31-A35 PolarHBondContact O-N 3.48Å
32A93.4Very high94.5Very high64 Ų6495 Ų9553%0.52946%0.464SS..Hα-helixtrans-62.6-40.9175.700000112.4Q28 L34 A35 E36Q28-A32 PolarHBondContact O-N 3.34Å; A32-L34 VanDerWaalsContact C-N 3.34Å; A32-A35 PolarHBondContact O-N 2.99Å; A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 PolarHBondContact O-N 3.25Å
33A95.1Very high94.2Very high57 Ų5793.4 Ų93.447%0.47146%0.459SS..Hα-helixtrans-66.6-35.2176.200000112.7R29 K30 Q31 A37R29-A33 VanDerWaalsContact O-CB 3.3Å; R29-A33 WeakPolarHBondContact O-CB 3.39Å; R29-A33 PolarHBondContact O-N 3.46Å; K30-A33 PolarHBondContact O-N 3.42Å; Q31-A33 VanDerWaalsContact C-N 3.34Å; Q31-A33 PolarHBondContact O-N 2.88Å; A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 3.4Å
34L92.9Very high94.1Very high96 Ų9697.1 Ų97.150%0.50346%0.464SS..Hα-helixtrans-65.1-50174.9-179.965.1000110.7K30 Q31 A32 E36 A37 E38K30-L34 WeakPolarHBondContact O-CB 3.48Å; K30-L34 PolarHBondContact O-N 2.97Å; Q31-L34 PolarHBondContact O-N 3.07Å; A32-L34 VanDerWaalsContact C-N 3.34Å; L34-E36 VanDerWaalsContact C-N 3.29Å; L34-E36 PolarHBondContact O-N 2.88Å; L34-A37 WeakPolarHBondContact O-CB 3.46Å; L34-A37 PolarHBondContact O-N 2.94Å; L34-A37 VanDerWaalsContact O-N 3.08Å; L34-E38 HydrophobicContact CD1-CG 4.49Å; L34-E38 WeakPolarHBondContact O-CG 3.34Å; L34-E38 PolarHBondContact O-N 3.23Å
35A90.7Very high94Very high56 Ų5689.4 Ų89.446%0.46344%0.435SS..Hα-helixtrans-58.4-41178.400000112.3Q31 A32 E38 R39Q31-A35 PolarHBondContact O-N 3.48Å; A32-A35 PolarHBondContact O-N 2.99Å; A35-E38 PolarHBondContact O-N 2.88Å; A35-R39 PolarHBondContact O-N 3.12Å
36E93.8Very high93.7Very high77 Ų7786.5 Ų86.536%0.3643%0.428SS..Hα-helixtrans-67.9-37.2176177.856.3-163.900112.4A32 L34 R39 Q40A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 PolarHBondContact O-N 3.25Å; L34-E36 VanDerWaalsContact C-N 3.29Å; L34-E36 PolarHBondContact O-N 2.88Å; E36-R39 IonicContact OE1-CZ 3.89Å; E36-R39 IonicContact OE1-NE 3.78Å; E36-R39 IonicContact OE1-NH2 3.94Å; E36-R39 PolarHBondContact OE1-NH2 2.97Å; E36-R39 IonicContact OE2-CZ 3Å; E36-R39 IonicContact OE2-NE 2.64Å; E36-R39 PolarHBondContact OE2-NE 3.44Å; E36-R39 IonicContact OE2-NH2 2.88Å; E36-R39 PolarHBondContact OE2-NH2 3.36Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.12Å; E36-Q40 PolarHBondContact OE1-NE2 3.35Å
37A94.7Very high93.4Very high48 Ų4884.6 Ų84.640%0.39743%0.427SS..Hα-helixtrans-65.1-41.5174.800000111.7A33 L34 Q40 V41A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 3.4Å; L34-A37 WeakPolarHBondContact O-CB 3.46Å; L34-A37 PolarHBondContact O-N 2.94Å; L34-A37 VanDerWaalsContact O-N 3.08Å; A37-Q40 PolarHBondContact O-N 2.97Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.38Å
38E93.2Very high93.2Very high38 Ų3882.9 Ų82.918%0.17841%0.414CS..Hα-helixtrans-62.7-45.2176.8-71.7173.6172.200111.5L34 A35 Q40 V41 Y42 S99 S101L34-E38 HydrophobicContact CD1-CG 4.49Å; L34-E38 WeakPolarHBondContact O-CG 3.34Å; L34-E38 PolarHBondContact O-N 3.23Å; A35-E38 PolarHBondContact O-N 2.88Å; E38-Q40 VanDerWaalsContact C-N 3.33Å; E38-Q40 PolarHBondContact O-N 3.23Å; E38-V41 PolarHBondContact O-N 3.24Å; E38-Y42 PolarHBondContact O-N 3.39Å; E38-S99 WeakPolarHBondContact OE1-CB 3.26Å; E38-S99 PolarHBondContact OE1-OG 3.01Å; E38-S101 PolarHBondContact OE1-OG 2.99Å; E38-S101 PolarHBondContact OE2-OG 3.04Å
39R91.2Very high92.9Very high114 Ų11478.8 Ų78.843%0.4340%0.395SS..Hα-helixtrans-57.4-45.3173.3-170.4-173.770.980.34.3112A35 E36 V41 Y42 E43A35-R39 PolarHBondContact O-N 3.12Å; E36-R39 IonicContact OE1-CZ 3.89Å; E36-R39 IonicContact OE1-NE 3.78Å; E36-R39 IonicContact OE1-NH2 3.94Å; E36-R39 PolarHBondContact OE1-NH2 2.97Å; E36-R39 IonicContact OE2-CZ 3Å; E36-R39 IonicContact OE2-NE 2.64Å; E36-R39 PolarHBondContact OE2-NE 3.44Å; E36-R39 IonicContact OE2-NH2 2.88Å; E36-R39 PolarHBondContact OE2-NH2 3.36Å; R39-V41 PolarHBondContact O-N 3.42Å; R39-Y42 PolarHBondContact O-N 3.05Å; R39-E43 IonicContact CZ-OE1 3.07Å; R39-E43 IonicContact CZ-OE2 2.73Å; R39-E43 IonicContact NH1-OE1 2.9Å; R39-E43 PolarHBondContact NH1-OE1 3.44Å; R39-E43 IonicContact NH1-OE2 3.29Å; R39-E43 PolarHBondContact NH1-OE2 3.27Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 2.91Å
40Q94.8Very high92.5Very high75 Ų7572.8 Ų72.835%0.3538%0.384SS..Hα-helixtrans-65.8-36.1178.5-73.9179.326.900113E36 A37 E38 K44E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.12Å; E36-Q40 PolarHBondContact OE1-NE2 3.35Å; A37-Q40 PolarHBondContact O-N 2.97Å; E38-Q40 VanDerWaalsContact C-N 3.33Å; E38-Q40 PolarHBondContact O-N 3.23Å; Q40-K44 VanDerWaalsContact O-CB 3.28Å; Q40-K44 WeakPolarHBondContact O-CB 3.1Å; Q40-K44 VanDerWaalsContact O-CG 3.25Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 2.73Å
41V93.7Very high92.1Very high59 Ų5973.4 Ų73.436%0.35839%0.389SS..Hα-helixtrans-63-48.6174168.80000109.6A37 E38 R39 E43 K44 E45 F95A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.38Å; E38-V41 PolarHBondContact O-N 3.24Å; R39-V41 PolarHBondContact O-N 3.42Å; V41-E43 PolarHBondContact O-N 3.44Å; V41-K44 PolarHBondContact O-N 3.01Å; V41-E45 WeakPolarHBondContact O-CB 3.09Å; V41-E45 PolarHBondContact O-N 3.25Å; V41-F95 HydrophobicContact CG1-CB 3.72Å
42Y90.8Very high91.7Very high80 Ų8071.2 Ų71.231%0.31438%0.377SS..Hα-helixtrans-57-46.5179-170.4-88.8000112.2E38 R39 E46 D90 R93 S96E38-Y42 PolarHBondContact O-N 3.39Å; R39-Y42 PolarHBondContact O-N 3.05Å; Y42-E46 PolarHBondContact O-N 3.25Å; Y42-E46 VanDerWaalsContact O-N 3.09Å; Y42-D90 PolarHBondContact OH-OD1 3.45Å; Y42-R93 VanDerWaalsContact CE2-CD 3.42Å; Y42-R93 VanDerWaalsContact CZ-CZ 3.41Å; Y42-R93 PolarHBondContact O-NH1 3.38Å; Y42-R93 PolarHBondContact OH-NE 3.44Å; Y42-S96 WeakPolarHBondContact CA-OG 3.36Å
43E91Very high91.3Very high87 Ų8773.7 Ų73.741%0.40738%0.378SS..Hα-helixtrans-67.7-43.4179-72.3175.3179.900112.7R39 V41 E45 E46 N47R39-E43 IonicContact CZ-OE1 3.07Å; R39-E43 IonicContact CZ-OE2 2.73Å; R39-E43 IonicContact NH1-OE1 2.9Å; R39-E43 PolarHBondContact NH1-OE1 3.44Å; R39-E43 IonicContact NH1-OE2 3.29Å; R39-E43 PolarHBondContact NH1-OE2 3.27Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 2.91Å; V41-E43 PolarHBondContact O-N 3.44Å; E43-E45 VanDerWaalsContact C-N 3.34Å; E43-E46 PolarHBondContact O-N 3.37Å; E43-N47 PolarHBondContact O-N 2.87Å; E43-N47 VanDerWaalsContact O-N 3.15Å; E43-N47 PolarHBondContact O-ND2 3.42Å
44K93.8Very high90.6Very high137 Ų13777.8 Ų77.860%0.59639%0.387SS*.Hα-helixtrans-67.1-38178.6-76.2174.7179.1171.80111.9Q40 V41 N47 Y48Q40-K44 VanDerWaalsContact O-CB 3.28Å; Q40-K44 WeakPolarHBondContact O-CB 3.1Å; Q40-K44 VanDerWaalsContact O-CG 3.25Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 2.73Å; V41-K44 PolarHBondContact O-N 3.01Å; K44-N47 PolarHBondContact O-N 3.11Å; K44-Y48 VanDerWaalsContact O-CB 3.27Å; K44-Y48 WeakPolarHBondContact O-CB 3.45Å; K44-Y48 PolarHBondContact O-N 3.35Å
45E93.3Very high90.1Very high8 Ų876.1 Ų76.14%0.03738%0.378CS..Hα-helixtrans-64.9-41.1177-175165.5-143.300111.2V41 E43 Y48 L49 R93 L94 F95 S96V41-E45 WeakPolarHBondContact O-CB 3.09Å; V41-E45 PolarHBondContact O-N 3.25Å; E43-E45 VanDerWaalsContact C-N 3.34Å; E45-Y48 PolarHBondContact O-N 3.3Å; E45-L49 HydrophobicContact CG-CD1 3.77Å; E45-L49 HydrophobicContact CG-CG 4.32Å; E45-L49 WeakPolarHBondContact O-CB 3.3Å; E45-L49 VanDerWaalsContact O-CG 3.23Å; E45-L49 WeakPolarHBondContact O-CG 3.06Å; E45-L49 PolarHBondContact O-N 3.4Å; E45-R93 HydrophobicContact CG-CB 4.34Å; E45-R93 HydrophobicContact CG-CG 4.3Å; E45-R93 WeakPolarHBondContact OE1-CA 3.48Å; E45-R93 WeakPolarHBondContact OE2-CA 3.22Å; E45-R93 WeakPolarHBondContact OE2-CB 3.15Å; E45-L94 PolarHBondContact OE1-N 3.09Å; E45-F95 HydrophobicContact CG-CD2 4.42Å; E45-F95 VanDerWaalsContact OE1-CD2 3.27Å; E45-F95 WeakPolarHBondContact OE1-CD2 3.38Å; E45-F95 PolarHBondContact OE1-N 3.49Å; E45-S96 WeakPolarHBondContact OE2-CB 3.5Å; E45-S96 PolarHBondContact OE2-N 2.97Å; E45-S96 PolarHBondContact OE2-OG 3.29Å
46E90.1Very high89.8Confident73 Ų7373.7 Ų73.734%0.34136%0.358SS..Hα-helixtrans-58.5-50.9173.5-169.3164.4173.300111.9Y42 E43 Y48 L49 A50 V88 R93Y42-E46 PolarHBondContact O-N 3.25Å; Y42-E46 VanDerWaalsContact O-N 3.09Å; E43-E46 PolarHBondContact O-N 3.37Å; E46-Y48 PolarHBondContact O-N 3.47Å; E46-L49 PolarHBondContact O-N 3.23Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.78Å; E46-V88 HydrophobicContact CG-CB 4.48Å; E46-V88 HydrophobicContact CG-CG2 4.21Å; E46-R93 IonicContact OE1-NH2 2.89Å; E46-R93 IonicContact OE2-CZ 3.77Å; E46-R93 IonicContact OE2-NH2 3.65Å; E46-R93 PolarHBondContact OE2-NH2 3.04Å
47N91.1Very high89.5Confident104 Ų10470.2 Ų70.256%0.55634%0.342SS*.Hα-helixtrans-62.6-45.1-177.9-69.3-37.4000111E43 K44 A50 E51E43-N47 PolarHBondContact O-N 2.87Å; E43-N47 VanDerWaalsContact O-N 3.15Å; E43-N47 PolarHBondContact O-ND2 3.42Å; K44-N47 PolarHBondContact O-N 3.11Å; N47-A50 PolarHBondContact O-N 2.92Å; N47-E51 WeakPolarHBondContact O-CB 3.28Å; N47-E51 PolarHBondContact O-N 3.08Å
48Y91.5Very high89.2Confident63 Ų6372.6 Ų72.625%0.24735%0.352CS..Hα-helixtrans-60.9-48.5177.6173.2-102000112K44 E45 E46 A50 E51 F52 T57 V58K44-Y48 VanDerWaalsContact O-CB 3.27Å; K44-Y48 WeakPolarHBondContact O-CB 3.45Å; K44-Y48 PolarHBondContact O-N 3.35Å; E45-Y48 PolarHBondContact O-N 3.3Å; E46-Y48 PolarHBondContact O-N 3.47Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.33Å; Y48-E51 PolarHBondContact O-N 2.55Å; Y48-F52 AromaticContact CD2-CD2 3.34Å; Y48-F52 HydrophobicContact CD2-CD2 3.34Å; Y48-F52 AromaticContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CG 4.41Å; Y48-F52 AromaticContact CE2-CD2 3.4Å; Y48-F52 HydrophobicContact CE2-CD2 3.4Å; Y48-F52 AromaticContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CG 4.1Å; Y48-F52 HydrophobicContact CG-CD2 4.19Å; Y48-F52 VanDerWaalsContact O-CD2 3.31Å; Y48-F52 WeakPolarHBondContact O-CD2 3.34Å; Y48-F52 PolarHBondContact O-N 3.03Å; Y48-F52 VanDerWaalsContact O-N 3.08Å; Y48-T57 HydrophobicContact CE1-CG2 4.15Å; Y48-V58 PolarHBondContact OH-N 3.01Å
49L90.2Very high88.9Confident15 Ų1572.9 Ų72.98%0.07935%0.354CS..Hα-helixtrans-68.1-35.2-177.7-67.8175.9000112.2E45 E46 E53 T57 I59 V88 N92E45-L49 HydrophobicContact CG-CD1 3.77Å; E45-L49 HydrophobicContact CG-CG 4.32Å; E45-L49 WeakPolarHBondContact O-CB 3.3Å; E45-L49 VanDerWaalsContact O-CG 3.23Å; E45-L49 WeakPolarHBondContact O-CG 3.06Å; E45-L49 PolarHBondContact O-N 3.4Å; E46-L49 PolarHBondContact O-N 3.23Å; L49-E53 PolarHBondContact O-N 3.42Å; L49-T57 HydrophobicContact CD2-CG2 3.73Å; L49-I59 HydrophobicContact CD2-CB 4.31Å; L49-I59 HydrophobicContact CD2-CG1 3.68Å; L49-V88 HydrophobicContact CB-CB 4.42Å; L49-V88 HydrophobicContact CB-CG1 3.67Å; L49-V88 HydrophobicContact CB-CG2 3.87Å; L49-V88 HydrophobicContact CD1-CG1 3.44Å; L49-V88 VanDerWaalsContact CD1-CG1 3.44Å; L49-V88 HydrophobicContact CG-CG1 4.18Å; L49-N92 HydrophobicContact CD1-CB 4.27Å; L49-N92 WeakPolarHBondContact CD1-O 3.29Å
50A87.4Confident88.5Confident53 Ų5371.2 Ų71.244%0.43836%0.357SS..Hα-helixtrans-72.1-39.217500000112.7E46 N47 Y48 V88E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.78Å; N47-A50 PolarHBondContact O-N 2.92Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.33Å; A50-V88 HydrophobicContact CB-CG2 4.18Å
51E87.4Confident88.1Confident124 Ų12469.2 Ų69.258%0.57936%0.357SS*.Hα-helixtrans-68.6-44.9-178-176.4175-175.600111.8N47 Y48 H54N47-E51 WeakPolarHBondContact O-CB 3.28Å; N47-E51 PolarHBondContact O-N 3.08Å; Y48-E51 PolarHBondContact O-N 2.55Å; E51-H54 PolarHBondContact O-CE1 2.73Å; E51-H54 PolarHBondContact O-ND1 3.29Å
52F86.4Confident87.7Confident67 Ų6772.2 Ų72.229%0.29437%0.365SS..SBendtrans-967.6-172-65.6-77.9000114.6Y48 H54 I55 G56 T57Y48-F52 AromaticContact CD2-CD2 3.34Å; Y48-F52 HydrophobicContact CD2-CD2 3.34Å; Y48-F52 AromaticContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CG 4.41Å; Y48-F52 AromaticContact CE2-CD2 3.4Å; Y48-F52 HydrophobicContact CE2-CD2 3.4Å; Y48-F52 AromaticContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CG 4.1Å; Y48-F52 HydrophobicContact CG-CD2 4.19Å; Y48-F52 VanDerWaalsContact O-CD2 3.31Å; Y48-F52 WeakPolarHBondContact O-CD2 3.34Å; Y48-F52 PolarHBondContact O-N 3.03Å; Y48-F52 VanDerWaalsContact O-N 3.08Å; F52-H54 PolarHBondContact O-N 2.89Å; F52-I55 PolarHBondContact O-N 3Å; F52-I55 VanDerWaalsContact O-N 3.1Å; F52-G56 CarbonylContact O-C 3.5Å; F52-G56 PolarHBondContact O-N 2.64Å; F52-T57 HydrophobicContact CB-CG2 3.99Å
53E83.6Confident86.7Confident116 Ų11674.6 Ų74.654%0.54238%0.378SS..THydrogen-bonded Turntrans-49.4-36.9179.4-170.3-174172.600112.8L49L49-E53 PolarHBondContact O-N 3.42Å
54H80.3Confident85.4Confident144 Ų14476.1 Ų76.167%0.66740%0.396SS*.THydrogen-bonded Turntrans-75.6-20.8-174.965.3-73.6000115.5E51 F52E51-H54 PolarHBondContact O-CE1 2.73Å; E51-H54 PolarHBondContact O-ND1 3.29Å; F52-H54 PolarHBondContact O-N 2.89Å
55I83.5Confident83.8Confident61 Ų6173.4 Ų73.431%0.31339%0.387SS..THydrogen-bonded Turntrans-109.7-21.7177.8-63.3162.4000110.8F52 F62 H63 I65F52-I55 PolarHBondContact O-N 3Å; F52-I55 VanDerWaalsContact O-N 3.1Å; I55-F62 HydrophobicContact CG2-CD1 4.39Å; I55-H63 PolarHBondContact O-N 2.91Å; I55-I65 HydrophobicContact CG1-CD1 4.07Å; I55-I65 HydrophobicContact CG2-CD1 4.15Å; I55-I65 HydrophobicContact CG2-CG1 4.45Å
56G83.6Confident82Confident4 Ų477.6 Ų77.64%0.04142%0.417CS..  trans105.2164-169.700000111.6F52 G61 F62F52-G56 CarbonylContact O-C 3.5Å; F52-G56 PolarHBondContact O-N 2.64Å; G56-G61 WeakPolarHBondContact CA-O 3.36Å; G56-F62 WeakPolarHBondContact O-CD1 3.41Å; G56-F62 WeakPolarHBondContact O-CE1 3.14Å
57T87.7Confident80.3Confident4 Ų482.6 Ų82.63%0.02544%0.441CS..  trans-128.9172.6-175.463.30000109.7Y48 L49 F52 I59 T60 G61Y48-T57 HydrophobicContact CE1-CG2 4.15Å; L49-T57 HydrophobicContact CD2-CG2 3.73Å; F52-T57 HydrophobicContact CB-CG2 3.99Å; T57-I59 PolarHBondContact O-N 3.03Å; T57-I59 VanDerWaalsContact O-N 3.14Å; T57-I59 PolarHBondContact OG1-N 2.9Å; T57-T60 PolarHBondContact N-OG1 2.96Å; T57-T60 PolarHBondContact O-N 3.45Å; T57-T60 PolarHBondContact OG1-N 3.31Å; T57-T60 PolarHBondContact OG1-OG1 2.96Å; T57-G61 CarbonylContact O-C 3.42Å; T57-G61 VanDerWaalsContact O-CA 3.3Å; T57-G61 WeakPolarHBondContact O-CA 3.43Å; T57-G61 PolarHBondContact O-N 3.23Å
58V88.5Confident78.4Confident98 Ų9886.3 Ų86.359%0.59445%0.452SS*.THydrogen-bonded Turntrans-57.7-24.9169.1-176.90000111.8Y48 F62Y48-V58 PolarHBondContact OH-N 3.01Å; V58-F62 HydrophobicContact CG2-CE2 4.13Å; V58-F62 HydrophobicContact CG2-CZ 4.2Å
59I86.5Confident76.3Confident44 Ų4494.1 Ų94.123%0.22648%0.481CS..THydrogen-bonded Turntrans-80.9-46.6179.8-48.9-56.6000111.7L49 T57 N92 L94L49-I59 HydrophobicContact CD2-CB 4.31Å; L49-I59 HydrophobicContact CD2-CG1 3.68Å; T57-I59 PolarHBondContact O-N 3.03Å; T57-I59 VanDerWaalsContact O-N 3.14Å; T57-I59 PolarHBondContact OG1-N 2.9Å; I59-N92 HydrophobicContact CG2-CB 4.35Å; I59-L94 HydrophobicContact CD1-CB 3.83Å; I59-L94 HydrophobicContact CD1-CD1 3.48Å; I59-L94 VanDerWaalsContact CD1-CD1 3.48Å; I59-L94 HydrophobicContact CD1-CG 3.66Å; I59-L94 HydrophobicContact CG2-CD1 4.48Å
60T84.2Confident74Confident79 Ų7998.2 Ų98.249%0.48551%0.511SS..THydrogen-bonded Turntrans-93.8-7.4-174.353.50000114T57T57-T60 PolarHBondContact N-OG1 2.96Å; T57-T60 PolarHBondContact O-N 3.45Å; T57-T60 PolarHBondContact OG1-N 3.31Å; T57-T60 PolarHBondContact OG1-OG1 2.96Å
61G85.8Confident72.1Confident34 Ų34101.2 Ų101.235%0.35153%0.529SS..  trans79.1138.9-170.600000112G56 T57 H63G56-G61 WeakPolarHBondContact CA-O 3.36Å; T57-G61 CarbonylContact O-C 3.42Å; T57-G61 VanDerWaalsContact O-CA 3.3Å; T57-G61 WeakPolarHBondContact O-CA 3.43Å; T57-G61 PolarHBondContact O-N 3.23Å; G61-H63 PolarHBondContact O-N 3.14Å; G61-H63 PolarHBondContact O-ND1 3.01Å; G61-H63 VanDerWaalsContact O-ND1 3.15Å
62F85.6Confident70.2Confident122 Ų122102.6 Ų102.654%0.53554%0.54SS..  trans-75.2114.9171.8-61.7-77.1000108.8I55 G56 V58I55-F62 HydrophobicContact CG2-CD1 4.39Å; G56-F62 WeakPolarHBondContact O-CD1 3.41Å; G56-F62 WeakPolarHBondContact O-CE1 3.14Å; V58-F62 HydrophobicContact CG2-CE2 4.13Å; V58-F62 HydrophobicContact CG2-CZ 4.2Å
63H69.2Low68.4Low129 Ų129102.7 Ų102.760%0.59756%0.561SS**  trans-80.4134176.8-73.564.4000108.3I55 G61 I65I55-H63 PolarHBondContact O-N 2.91Å; G61-H63 PolarHBondContact O-N 3.14Å; G61-H63 PolarHBondContact O-ND1 3.01Å; G61-H63 VanDerWaalsContact O-ND1 3.15Å; H63-I65 PolarHBondContact O-N 3.38Å
64P63.9Low66.7Low120 Ų120103 Ų10378%0.77957%0.572SS**  trans-60.1116.7169.324.5-30.1000107.3S66P64-S66 VanDerWaalsContact C-N 3.27Å; P64-S66 PolarHBondContact O-N 2.91Å
65I59Low65.1Low79 Ų79104.2 Ų104.241%0.40558%0.584SS.*  trans-66.490.6-178.9-50.4169.8000107.5I55 H63 E67 F68I55-I65 HydrophobicContact CG1-CD1 4.07Å; I55-I65 HydrophobicContact CG2-CD1 4.15Å; I55-I65 HydrophobicContact CG2-CG1 4.45Å; H63-I65 PolarHBondContact O-N 3.38Å; I65-E67 HydrophobicContact CG2-CB 4.1Å; I65-E67 PolarHBondContact O-N 3.17Å; I65-E67 VanDerWaalsContact O-N 3.17Å; I65-F68 HydrophobicContact CB-CD2 4.1Å; I65-F68 HydrophobicContact CB-CE2 4.46Å; I65-F68 HydrophobicContact CD1-CD2 4.45Å; I65-F68 HydrophobicContact CD1-CE2 4.04Å; I65-F68 HydrophobicContact CG2-CD2 3.63Å; I65-F68 HydrophobicContact CG2-CE2 3.9Å
66S56.9Low63.6Low96 Ų96106.5 Ų106.567%0.67161%0.605SS**G310 helixtrans-61.6-18173.3-1790000111.6P64 F68 R69P64-S66 VanDerWaalsContact C-N 3.27Å; P64-S66 PolarHBondContact O-N 2.91Å; S66-F68 VanDerWaalsContact C-N 3.34Å; S66-F68 PolarHBondContact O-N 2.9Å; S66-R69 PolarHBondContact O-N 3.32Å; S66-R69 VanDerWaalsContact O-N 3.15Å
67E53.9Low62.2Low178 Ų178116.1 Ų116.183%0.83265%0.646SS**G310 helixtrans-83.1-0-169.5-64.2179.2179.300114.9I65 R69I65-E67 HydrophobicContact CG2-CB 4.1Å; I65-E67 PolarHBondContact O-N 3.17Å; I65-E67 VanDerWaalsContact O-N 3.17Å; E67-R69 VanDerWaalsContact C-N 3.27Å
68F51.1Low60.2Low182 Ų182119.4 Ų119.480%0.79868%0.681SS**G310 helixtrans-83.9-0.4162.2-75.8-75.8000113.3I65 S66I65-F68 HydrophobicContact CB-CD2 4.1Å; I65-F68 HydrophobicContact CB-CE2 4.46Å; I65-F68 HydrophobicContact CD1-CD2 4.45Å; I65-F68 HydrophobicContact CD1-CE2 4.04Å; I65-F68 HydrophobicContact CG2-CD2 3.63Å; I65-F68 HydrophobicContact CG2-CE2 3.9Å; S66-F68 VanDerWaalsContact C-N 3.34Å; S66-F68 PolarHBondContact O-N 2.9Å
69R48.1Very low58.3Low228 Ų228120.7 Ų120.786%0.8669%0.694SS**SBendtrans-116.271175-71.5-177172.8-126.70.7111.3S66 E67S66-R69 PolarHBondContact O-N 3.32Å; S66-R69 VanDerWaalsContact O-N 3.15Å; E67-R69 VanDerWaalsContact C-N 3.27Å
70S42.1Very low56.3Low100 Ų100130.6 Ų130.670%0.69973%0.729SS**  trans154.694.2150.1-179.80000109.9N72S70-N72 PolarHBondContact O-N 3.48Å
71S47.4Very low54.6Low116 Ų116131.2 Ų131.281%0.81174%0.742SS**  trans-80.994.2166.758.40000109.5
72N47.4Very low52.8Low153 Ų153139.3 Ų139.382%0.81876%0.762SS**  trans-135.789155.3-91.8-16.8000108.4S70S70-N72 PolarHBondContact O-N 3.48Å
73G47.8Very low51Low70 Ų70143.3 Ų143.372%0.72278%0.779SS**  trans85.4118.815000000117.3D75G73-D75 PolarHBondContact O-N 3.45Å
74P47.2Very low50.1Low122 Ų122147.2 Ų147.279%0.79279%0.788SS**  trans-82.7113.1172.532.4-27.8000109.9S76P74-S76 PolarHBondContact O-N 2.93Å
75D47.8Very low49.7Very low169 Ų169153 Ų15390%0.90480%0.795SS**  trans-71.497.4164.3-94-17.8000109.3G73 K77G73-D75 PolarHBondContact O-N 3.45Å; D75-K77 PolarHBondContact O-N 2.97Å
76S52.4Low49.5Very low110 Ų110154.9 Ų154.977%0.76980%0.801SS**  trans-74.125.3-176.555.70000114.6P74P74-S76 PolarHBondContact O-N 2.93Å
77K53Low50.1Low206 Ų206154.9 Ų154.990%0.89680%0.802SS**  trans-12567.8-178.2-62.7-151.8-176.8-175.90113.4D75D75-K77 PolarHBondContact O-N 2.97Å
78G46.3Very low51.2Low73 Ų73147.4 Ų147.475%0.75377%0.768SS**  trans-154.3-3.8166.700000115.6R80G78-R80 PolarHBondContact O-N 2.89Å
79S48.7Very low52.7Low125 Ų125141.8 Ų141.887%0.87475%0.751SS**THydrogen-bonded Turntrans-88.767.5-167-165.90000113.3
80R45.2Very low54.4Low251 Ų251132.9 Ų132.995%0.94772%0.721SS**THydrogen-bonded Turntrans-146.77.6170-127.5174.7176.3176.8-2.1118.4G78G78-R80 PolarHBondContact O-N 2.89Å
81A48.4Very low56.3Low92 Ų92130.8 Ų130.876%0.7671%0.71SS**SBendtrans-120-4.6-177.900000116.8K83A81-K83 PolarHBondContact O-N 2.92Å
82R47.8Very low58.1Low205 Ų205128.7 Ų128.777%0.77469%0.689SS**  trans-94.770.5-172.2-115.2179.3-174.3-157.4-1113
83K46.3Very low60Low205 Ų205121.6 Ų121.689%0.89165%0.651SS**  trans-130.320.3166.5-103.8-167.9-175.9-175.80113.2A81 R85A81-K83 PolarHBondContact O-N 2.92Å; K83-R85 PolarHBondContact O-N 2.98Å
84R51.2Low62Low212 Ų212123 Ų12380%0.864%0.641SS**SBendtrans-76.2111.6159.1-63.5-175.293.7166.15105.1H86R84-H86 VanDerWaalsContact C-N 3.26Å; R84-H86 PolarHBondContact O-CD2 3.32Å; R84-H86 PolarHBondContact O-N 3.49Å
85R56Low64.1Low242 Ų242122.8 Ų122.891%0.91363%0.628SS**  trans-52.3101.6162.1-75.3176.4146.1-167.5-8.7105.4K83 S87K83-R85 PolarHBondContact O-N 2.98Å; R85-S87 PolarHBondContact O-N 2.87Å
86H55.2Low66.1Low117 Ų117114.9 Ų114.954%0.54259%0.586SS.*  trans-68.494171.9-75.2-76.7000104.6R84 V88R84-H86 VanDerWaalsContact C-N 3.26Å; R84-H86 PolarHBondContact O-CD2 3.32Å; R84-H86 PolarHBondContact O-N 3.49Å; H86-V88 PolarHBondContact O-N 2.77Å
87S69.3Low67.7Low97 Ų97113.2 Ų113.268%0.67856%0.563SS**PPolyproline II helixtrans-5712216751.40000106.1R85 S89R85-S87 PolarHBondContact O-N 2.87Å; S87-S89 PolarHBondContact O-N 3.07Å; S87-S89 VanDerWaalsContact O-N 3.13Å
88V76.4Confident69.4Low21 Ų21107.5 Ų107.513%0.12756%0.555CS.*PPolyproline II helixtrans-57.1121.3175.8178.30000107.3E46 L49 A50 H86 D90 N92 R93E46-V88 HydrophobicContact CG-CB 4.48Å; E46-V88 HydrophobicContact CG-CG2 4.21Å; L49-V88 HydrophobicContact CB-CB 4.42Å; L49-V88 HydrophobicContact CB-CG1 3.67Å; L49-V88 HydrophobicContact CB-CG2 3.87Å; L49-V88 HydrophobicContact CD1-CG1 3.44Å; L49-V88 VanDerWaalsContact CD1-CG1 3.44Å; L49-V88 HydrophobicContact CG-CG1 4.18Å; A50-V88 HydrophobicContact CB-CG2 4.18Å; H86-V88 PolarHBondContact O-N 2.77Å; V88-D90 PolarHBondContact O-N 3.33Å; V88-N92 HydrophobicContact CG1-CB 4.47Å; V88-R93 HydrophobicContact CG1-CG 4.49Å
89S82.9Confident71.3Confident64 Ų64105.3 Ų105.345%0.44853%0.527SS..PPolyproline II helixtrans-58.1134.2179.71800000109.9S87 A91 N92S87-S89 PolarHBondContact O-N 3.07Å; S87-S89 VanDerWaalsContact O-N 3.13Å; S89-A91 PolarHBondContact O-N 3.33Å; S89-A91 VanDerWaalsContact O-N 3.09Å; S89-A91 PolarHBondContact OG-N 3.21Å; S89-N92 PolarHBondContact O-N 2.61Å
90D83.3Confident72.5Confident41 Ų41108.1 Ų108.122%0.21952%0.524CS..G310 helixtrans-60.3-22.4176.9-65.8-34.5000112.4Y42 V88 N92 R93 W97 I106Y42-D90 PolarHBondContact OH-OD1 3.45Å; V88-D90 PolarHBondContact O-N 3.33Å; D90-N92 PolarHBondContact O-N 3.46Å; D90-R93 WeakPolarHBondContact O-CB 3.49Å; D90-R93 PolarHBondContact O-N 3.36Å; D90-R93 VanDerWaalsContact O-N 3.16Å; D90-R93 VanDerWaalsContact OD1-CD 3.29Å; D90-R93 WeakPolarHBondContact OD1-CD 3.45Å; D90-R93 IonicContact OD1-NE 3.89Å; D90-R93 PolarHBondContact OD1-NE 2.99Å; D90-R93 VanDerWaalsContact OD1-NE 3.07Å; D90-W97 PolarHBondContact O-NE1 2.91Å; D90-I106 HydrophobicContact CB-CG2 3.67Å
91A83.1Confident74.2Confident56 Ų5698.4 Ų98.446%0.46350%0.495SS..G310 helixtrans-61.9-24.7172.700000113.6S89S89-A91 PolarHBondContact O-N 3.33Å; S89-A91 VanDerWaalsContact O-N 3.09Å; S89-A91 PolarHBondContact OG-N 3.21Å
92N84.2Confident75.3Confident71 Ų7194.7 Ų94.738%0.3846%0.463SS..G310 helixtrans-91.7-2179.6-67.2-17.7000112.8L49 I59 V88 S89 D90 L94L49-N92 HydrophobicContact CD1-CB 4.27Å; L49-N92 WeakPolarHBondContact CD1-O 3.29Å; I59-N92 HydrophobicContact CG2-CB 4.35Å; V88-N92 HydrophobicContact CG1-CB 4.47Å; S89-N92 PolarHBondContact O-N 2.61Å; D90-N92 PolarHBondContact O-N 3.46Å; N92-L94 VanDerWaalsContact C-N 3.31Å; N92-L94 PolarHBondContact O-N 3.4Å; N92-L94 VanDerWaalsContact O-N 3.13Å
93R87.5Confident76.2Confident4 Ų485.2 Ų85.22%0.01543%0.429CS..  trans-8956.5-173.3-66.1-177.9-179.3-98.37.7112.9Y42 E45 E46 V88 D90 F95 S96 W97Y42-R93 VanDerWaalsContact CE2-CD 3.42Å; Y42-R93 VanDerWaalsContact CZ-CZ 3.41Å; Y42-R93 PolarHBondContact O-NH1 3.38Å; Y42-R93 PolarHBondContact OH-NE 3.44Å; E45-R93 HydrophobicContact CG-CB 4.34Å; E45-R93 HydrophobicContact CG-CG 4.3Å; E45-R93 WeakPolarHBondContact OE1-CA 3.48Å; E45-R93 WeakPolarHBondContact OE2-CA 3.22Å; E45-R93 WeakPolarHBondContact OE2-CB 3.15Å; E46-R93 IonicContact OE1-NH2 2.89Å; E46-R93 IonicContact OE2-CZ 3.77Å; E46-R93 IonicContact OE2-NH2 3.65Å; E46-R93 PolarHBondContact OE2-NH2 3.04Å; V88-R93 HydrophobicContact CG1-CG 4.49Å; D90-R93 WeakPolarHBondContact O-CB 3.49Å; D90-R93 PolarHBondContact O-N 3.36Å; D90-R93 VanDerWaalsContact O-N 3.16Å; D90-R93 VanDerWaalsContact OD1-CD 3.29Å; D90-R93 WeakPolarHBondContact OD1-CD 3.45Å; D90-R93 IonicContact OD1-NE 3.89Å; D90-R93 PolarHBondContact OD1-NE 2.99Å; D90-R93 VanDerWaalsContact OD1-NE 3.07Å; R93-F95 PolarHBondContact O-N 2.94Å; R93-F95 VanDerWaalsContact O-N 3.13Å; R93-S96 WeakPolarHBondContact O-CB 3.28Å; R93-S96 PolarHBondContact O-N 3.29Å; R93-W97 PolarHBondContact O-N 3.4Å
94L89.3Confident77.4Confident100 Ų10078.3 Ų78.352%0.52440%0.404SS..Hα-helixtrans-54.1-33.8-173.1-66.7-173.6000114E45 I59 N92 W97 A98E45-L94 PolarHBondContact OE1-N 3.09Å; I59-L94 HydrophobicContact CD1-CB 3.83Å; I59-L94 HydrophobicContact CD1-CD1 3.48Å; I59-L94 VanDerWaalsContact CD1-CD1 3.48Å; I59-L94 HydrophobicContact CD1-CG 3.66Å; I59-L94 HydrophobicContact CG2-CD1 4.48Å; N92-L94 VanDerWaalsContact C-N 3.31Å; N92-L94 PolarHBondContact O-N 3.4Å; N92-L94 VanDerWaalsContact O-N 3.13Å; L94-W97 PolarHBondContact O-N 3.09Å; L94-A98 PolarHBondContact O-N 3.16Å
95F90.8Very high78.6Confident117 Ų11774.6 Ų74.651%0.51340%0.396SS..Hα-helixtrans-72.3-37.4179.2-61.8-71.2000111.7V41 E45 R93 W97 A98V41-F95 HydrophobicContact CG1-CB 3.72Å; E45-F95 HydrophobicContact CG-CD2 4.42Å; E45-F95 VanDerWaalsContact OE1-CD2 3.27Å; E45-F95 WeakPolarHBondContact OE1-CD2 3.38Å; E45-F95 PolarHBondContact OE1-N 3.49Å; R93-F95 PolarHBondContact O-N 2.94Å; R93-F95 VanDerWaalsContact O-N 3.13Å; F95-W97 VanDerWaalsContact C-N 3.35Å; F95-A98 WeakPolarHBondContact O-CB 3.37Å; F95-A98 PolarHBondContact O-N 3.25Å
96S90.3Very high79.5Confident3 Ų363.5 Ų63.52%0.02136%0.355CS..Hα-helixtrans-67.5-35.9172.8-55.80000111.9Y42 E45 R93 A98 S102Y42-S96 WeakPolarHBondContact CA-OG 3.36Å; E45-S96 WeakPolarHBondContact OE2-CB 3.5Å; E45-S96 PolarHBondContact OE2-N 2.97Å; E45-S96 PolarHBondContact OE2-OG 3.29Å; R93-S96 WeakPolarHBondContact O-CB 3.28Å; R93-S96 PolarHBondContact O-N 3.29Å; S96-A98 PolarHBondContact O-N 2.85Å; S96-S102 PolarHBondContact O-OG 2.85Å
97W86.1Confident80.4Confident75 Ų7561.6 Ų61.628%0.28435%0.349SS..Hα-helixtrans-66-25174.1-83.5100000114.1D90 R93 L94 F95 S99 I106 D107D90-W97 PolarHBondContact O-NE1 2.91Å; R93-W97 PolarHBondContact O-N 3.4Å; L94-W97 PolarHBondContact O-N 3.09Å; F95-W97 VanDerWaalsContact C-N 3.35Å; W97-S99 PolarHBondContact O-N 3.41Å; W97-I106 HydrophobicContact CD2-CG2 4.46Å; W97-I106 HydrophobicContact CH2-CB 4.48Å; W97-I106 HydrophobicContact CH2-CG2 4.02Å; W97-I106 HydrophobicContact CZ2-CB 4.16Å; W97-I106 HydrophobicContact CZ2-CG2 3.33Å; W97-D107 HydrophobicContact CH2-CB 4.41Å; W97-D107 WeakPolarHBondContact CH2-OD1 3.49Å
98A88.9Confident80.9Confident87 Ų8763 Ų6372%0.71934%0.344SS*.THydrogen-bonded Turntrans-70.3-16.5-176.800000113.4L94 F95 S96L94-A98 PolarHBondContact O-N 3.16Å; F95-A98 WeakPolarHBondContact O-CB 3.37Å; F95-A98 PolarHBondContact O-N 3.25Å; S96-A98 PolarHBondContact O-N 2.85Å
99S85.4Confident81Confident26 Ų2664.4 Ų64.418%0.18236%0.358CS..SBendtrans-88.7139.1170.9157.30000111.5E38 W97 S101 S102 G103E38-S99 WeakPolarHBondContact OE1-CB 3.26Å; E38-S99 PolarHBondContact OE1-OG 3.01Å; W97-S99 PolarHBondContact O-N 3.41Å; S99-S101 PolarHBondContact OG-N 3.32Å; S99-S101 PolarHBondContact OG-OG 2.94Å; S99-S101 VanDerWaalsContact OG-OG 3.11Å; S99-S102 WeakPolarHBondContact CB-OG 3.25Å; S99-S102 PolarHBondContact OG-N 3.13Å; S99-S102 PolarHBondContact OG-OG 3.13Å; S99-G103 WeakPolarHBondContact O-CA 3.47Å; S99-G103 PolarHBondContact O-N 2.88Å
100F75.8Confident80.8Confident185 Ų18563.8 Ų63.881%0.81135%0.348SS*.Hα-helixtrans-65-36.2177.6-176.9-93000112.5V104F100-V104 VanDerWaalsContact O-CG2 3.26Å; F100-V104 WeakPolarHBondContact O-CG2 3.34Å
101S79.7Confident80.4Confident46 Ų4666.8 Ų66.832%0.32236%0.364SS..Hα-helixtrans-74-52.3178.224.50000111.2E38 S99 G103 V104 E105E38-S101 PolarHBondContact OE1-OG 2.99Å; E38-S101 PolarHBondContact OE2-OG 3.04Å; S99-S101 PolarHBondContact OG-N 3.32Å; S99-S101 PolarHBondContact OG-OG 2.94Å; S99-S101 VanDerWaalsContact OG-OG 3.11Å; S101-G103 PolarHBondContact O-N 3.19Å; S101-V104 PolarHBondContact O-N 3.44Å; S101-E105 PolarHBondContact O-N 2.6Å
102S71Confident80.2Confident15 Ų1566.9 Ų66.911%0.10537%0.365CS..Hα-helixtrans-71.4-30.5-177.452.60000112.9S96 S99 V104 E105 I106S96-S102 PolarHBondContact O-OG 2.85Å; S99-S102 WeakPolarHBondContact CB-OG 3.25Å; S99-S102 PolarHBondContact OG-N 3.13Å; S99-S102 PolarHBondContact OG-OG 3.13Å; S102-V104 VanDerWaalsContact C-N 3.35Å; S102-V104 PolarHBondContact O-N 2.88Å; S102-E105 PolarHBondContact O-N 3.29Å; S102-I106 WeakPolarHBondContact O-CD1 3.12Å; S102-I106 WeakPolarHBondContact O-CG1 3.46Å; S102-I106 PolarHBondContact O-N 2.83Å
103G67.2Low79.9Confident6 Ų666 Ų666%0.06237%0.367CS..Hα-helixtrans-60.4-43.2173.800000112.4S99 S101 I106 D107S99-G103 WeakPolarHBondContact O-CA 3.47Å; S99-G103 PolarHBondContact O-N 2.88Å; S101-G103 PolarHBondContact O-N 3.19Å; G103-I106 PolarHBondContact O-N 3.46Å; G103-D107 PolarHBondContact O-N 2.96Å
104V72.8Confident79.3Confident60 Ų6072.1 Ų72.136%0.36439%0.394SS..Hα-helixtrans-64.9-43.2176.5173.50000111.3F100 S101 S102 I106 D107 E108F100-V104 VanDerWaalsContact O-CG2 3.26Å; F100-V104 WeakPolarHBondContact O-CG2 3.34Å; S101-V104 PolarHBondContact O-N 3.44Å; S102-V104 VanDerWaalsContact C-N 3.35Å; S102-V104 PolarHBondContact O-N 2.88Å; V104-I106 VanDerWaalsContact C-N 3.29Å; V104-I106 PolarHBondContact O-N 3.19Å; V104-D107 PolarHBondContact O-N 2.79Å; V104-E108 HydrophobicContact CG1-CG 4.41Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 WeakPolarHBondContact O-CG 3.16Å; V104-E108 PolarHBondContact O-N 3.42Å
105E76.1Confident78.7Confident134 Ų13474.5 Ų74.563%0.62640%0.4SS*.Hα-helixtrans-61.5-38.6176.8-69.7-179.9-178.700112S101 S102 A109S101-E105 PolarHBondContact O-N 2.6Å; S102-E105 PolarHBondContact O-N 3.29Å; E105-A109 WeakPolarHBondContact O-CB 3.27Å; E105-A109 PolarHBondContact O-N 2.94Å
106I74.8Confident78Confident9 Ų975.1 Ų75.15%0.04640%0.403CS..Hα-helixtrans-68.4-45.5176.2-65.7164.2000111D90 W97 S102 G103 V104 E108 A109 Q110D90-I106 HydrophobicContact CB-CG2 3.67Å; W97-I106 HydrophobicContact CD2-CG2 4.46Å; W97-I106 HydrophobicContact CH2-CB 4.48Å; W97-I106 HydrophobicContact CH2-CG2 4.02Å; W97-I106 HydrophobicContact CZ2-CB 4.16Å; W97-I106 HydrophobicContact CZ2-CG2 3.33Å; S102-I106 WeakPolarHBondContact O-CD1 3.12Å; S102-I106 WeakPolarHBondContact O-CG1 3.46Å; S102-I106 PolarHBondContact O-N 2.83Å; G103-I106 PolarHBondContact O-N 3.46Å; V104-I106 VanDerWaalsContact C-N 3.29Å; V104-I106 PolarHBondContact O-N 3.19Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.15Å; I106-A109 PolarHBondContact O-N 3.46Å; I106-Q110 HydrophobicContact CG2-CG 4.34Å; I106-Q110 WeakPolarHBondContact O-CG 3.36Å; I106-Q110 PolarHBondContact O-N 2.83Å
107D74.4Confident77.2Confident77 Ų7781.8 Ų81.841%0.41243%0.431SS..Hα-helixtrans-55.8-48.1175.4-93.8-38.1000111.4W97 G103 V104 A109 Q110 L111W97-D107 HydrophobicContact CH2-CB 4.41Å; W97-D107 WeakPolarHBondContact CH2-OD1 3.49Å; G103-D107 PolarHBondContact O-N 2.96Å; V104-D107 PolarHBondContact O-N 2.79Å; D107-A109 PolarHBondContact O-N 3.39Å; D107-Q110 PolarHBondContact O-N 3.48Å; D107-L111 WeakPolarHBondContact O-CB 3.27Å; D107-L111 VanDerWaalsContact O-CG 3.28Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 3.31Å
108E79.5Confident76.5Confident126 Ų12683.5 Ų83.559%0.58944%0.442SS*.Hα-helixtrans-62-43178.3-73.9-176.9-175.500111.9V104 I106 L111 A112V104-E108 HydrophobicContact CG1-CG 4.41Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 WeakPolarHBondContact O-CG 3.16Å; V104-E108 PolarHBondContact O-N 3.42Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.15Å; E108-L111 PolarHBondContact O-N 3.41Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 3.04Å
109A78Confident75.5Confident51 Ų5182.6 Ų82.642%0.42143%0.431SS..Hα-helixtrans-64.1-41.8176.800000112.2E105 I106 D107 A112 A113E105-A109 WeakPolarHBondContact O-CB 3.27Å; E105-A109 PolarHBondContact O-N 2.94Å; I106-A109 PolarHBondContact O-N 3.46Å; D107-A109 PolarHBondContact O-N 3.39Å; A109-A112 PolarHBondContact O-N 3.13Å; A109-A113 WeakPolarHBondContact O-CB 3.23Å; A109-A113 PolarHBondContact O-N 3.47Å
110Q77.8Confident74.6Confident51 Ų5186 Ų8624%0.23844%0.444CS..Hα-helixtrans-64.7-46.6176.2-72.6-172.98.700111.3I106 D107 A112 A113 F114I106-Q110 HydrophobicContact CG2-CG 4.34Å; I106-Q110 WeakPolarHBondContact O-CG 3.36Å; I106-Q110 PolarHBondContact O-N 2.83Å; D107-Q110 PolarHBondContact O-N 3.48Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; Q110-A112 PolarHBondContact O-N 2.97Å; Q110-A113 PolarHBondContact O-N 2.9Å; Q110-F114 HydrophobicContact CB-CE2 4.44Å; Q110-F114 WeakPolarHBondContact O-CD2 3.29Å; Q110-F114 PolarHBondContact O-N 3.46Å
111L76.7Confident73.8Confident103 Ų10380.8 Ų80.854%0.53944%0.435SS..Hα-helixtrans-60.6-40.9176.6-73.2169.8000112.2D107 E108 F114 K115D107-L111 WeakPolarHBondContact O-CB 3.27Å; D107-L111 VanDerWaalsContact O-CG 3.28Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 3.31Å; E108-L111 PolarHBondContact O-N 3.41Å; L111-F114 PolarHBondContact O-N 3.44Å; L111-K115 WeakPolarHBondContact O-CG 3.31Å; L111-K115 PolarHBondContact O-N 3.08Å
112A77.6Confident72.8Confident59 Ų5985.3 Ų85.349%0.48845%0.449SS..Hα-helixtrans-63.5-4217500000111.8E108 A109 Q110 K115 K116E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 3.04Å; A109-A112 PolarHBondContact O-N 3.13Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; Q110-A112 PolarHBondContact O-N 2.97Å; A112-K115 PolarHBondContact O-N 3.17Å; A112-K116 PolarHBondContact O-N 2.88Å
113A78Confident72.2Confident52 Ų5288 Ų8843%0.4347%0.468SS..Hα-helixtrans-64.7-38.1176.100000112.5A109 Q110 K117A109-A113 WeakPolarHBondContact O-CB 3.23Å; A109-A113 PolarHBondContact O-N 3.47Å; Q110-A113 PolarHBondContact O-N 2.9Å; A113-K117 PolarHBondContact O-N 3.05Å; A113-K117 VanDerWaalsContact O-N 3.14Å
114F74.2Confident71.7Confident133 Ų13394.6 Ų94.658%0.58350%0.501SS*.Hα-helixtrans-65.9-45.9175-79.3-65.5000112.3Q110 L111 K116 K117 E118Q110-F114 HydrophobicContact CB-CE2 4.44Å; Q110-F114 WeakPolarHBondContact O-CD2 3.29Å; Q110-F114 PolarHBondContact O-N 3.46Å; L111-F114 PolarHBondContact O-N 3.44Å; F114-K116 VanDerWaalsContact C-N 3.3Å; F114-K116 PolarHBondContact O-N 3.05Å; F114-K117 PolarHBondContact O-N 3.34Å; F114-E118 PolarHBondContact O-N 3.22Å
115K76.7Confident70.7Confident149 Ų14999.1 Ų99.165%0.64852%0.523SS*.Hα-helixtrans-60.7-39.5176.9-73.4178.3-178.9177.70112.3L111 A112 E118 S119L111-K115 WeakPolarHBondContact O-CG 3.31Å; L111-K115 PolarHBondContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 3.17Å; K115-E118 PolarHBondContact O-N 3.38Å; K115-S119 PolarHBondContact O-N 3.14Å; K115-S119 PolarHBondContact O-OG 2.95Å
116K76.4Confident69.5Low130 Ų13096.9 Ų96.957%0.56552%0.523SS*.Hα-helixtrans-63.2-44.3176.6-172.8176175.9-178.10111.8A112 F114 E118 S119 E120A112-K116 PolarHBondContact O-N 2.88Å; F114-K116 VanDerWaalsContact C-N 3.3Å; F114-K116 PolarHBondContact O-N 3.05Å; K116-E118 VanDerWaalsContact C-N 3.29Å; K116-E118 PolarHBondContact O-N 2.91Å; K116-S119 WeakPolarHBondContact CA-OG 3.17Å; K116-S119 PolarHBondContact O-N 3.26Å; K116-S119 PolarHBondContact O-OG 3.1Å; K116-E120 WeakPolarHBondContact CE-OE1 3.33Å; K116-E120 WeakPolarHBondContact O-CG 3.18Å; K116-E120 PolarHBondContact O-N 3.06Å
117K74.4Confident68.1Low143 Ų143103.4 Ų103.462%0.62256%0.558SS**Hα-helixtrans-62.2-37.1174.3-75.7-175.6177.9179.60112.4A113 F114 S119 E120 A121A113-K117 PolarHBondContact O-N 3.05Å; A113-K117 VanDerWaalsContact O-N 3.14Å; F114-K117 PolarHBondContact O-N 3.34Å; K117-S119 VanDerWaalsContact C-N 3.34Å; K117-E120 PolarHBondContact O-N 3.07Å; K117-A121 WeakPolarHBondContact O-CB 3.41Å; K117-A121 PolarHBondContact O-N 2.93Å
118E70.2Confident66.9Low111 Ų111105 Ų10552%0.51957%0.57SS.*Hα-helixtrans-69.4-31.6177.7-146.8-165.8148.800112.5F114 K115 K116 K122F114-E118 PolarHBondContact O-N 3.22Å; K115-E118 PolarHBondContact O-N 3.38Å; K116-E118 VanDerWaalsContact C-N 3.29Å; K116-E118 PolarHBondContact O-N 2.91Å; E118-K122 WeakPolarHBondContact O-CG 3.3Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 IonicContact OE1-NZ 3.52Å; E118-K122 PolarHBondContact OE1-NZ 2.83Å
119S68.4Low65.5Low68 Ų68106.5 Ų106.548%0.47658%0.577SS.*Hα-helixtrans-73.4-39.6172.255.60000113.1K115 K116 K117 A121 K122 S123K115-S119 PolarHBondContact O-N 3.14Å; K115-S119 PolarHBondContact O-OG 2.95Å; K116-S119 WeakPolarHBondContact CA-OG 3.17Å; K116-S119 PolarHBondContact O-N 3.26Å; K116-S119 PolarHBondContact O-OG 3.1Å; K117-S119 VanDerWaalsContact C-N 3.34Å; S119-A121 VanDerWaalsContact C-N 3.35Å; S119-K122 PolarHBondContact O-N 3.03Å; S119-S123 PolarHBondContact O-N 3.21Å
120E67Low64.1Low99 Ų99111.6 Ų111.646%0.46360%0.597SS.*Hα-helixtrans-67.3-36.5176.8-72.5173.4-179.300111.3K116 K117 K122 S123K116-E120 WeakPolarHBondContact CE-OE1 3.33Å; K116-E120 WeakPolarHBondContact O-CG 3.18Å; K116-E120 PolarHBondContact O-N 3.06Å; K117-E120 PolarHBondContact O-N 3.07Å; E120-K122 PolarHBondContact O-N 3.32Å; E120-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-OG 2.97Å; E120-S123 VanDerWaalsContact O-OG 3.12Å
121A59.9Low62.7Low74 Ų74114.9 Ų114.961%0.61262%0.616SS**Hα-helixtrans-69.4-18.5175.600000113.7K117 S119K117-A121 WeakPolarHBondContact O-CB 3.41Å; K117-A121 PolarHBondContact O-N 2.93Å; S119-A121 VanDerWaalsContact C-N 3.35Å
122K57.3Low61.4Low141 Ų141118.9 Ų118.961%0.61363%0.633SS**Hα-helixtrans-93-21.8177-74.1174.6-173163.50113.2E118 S119 E120E118-K122 WeakPolarHBondContact O-CG 3.3Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 IonicContact OE1-NZ 3.52Å; E118-K122 PolarHBondContact OE1-NZ 2.83Å; S119-K122 PolarHBondContact O-N 3.03Å; E120-K122 PolarHBondContact O-N 3.32Å
123S59.3Low60.4Low73 Ų73122.3 Ų122.351%0.5165%0.647SS.*Hα-helixtrans-79.9-22.5179.457.10000114.2S119 E120 N125S119-S123 PolarHBondContact O-N 3.21Å; E120-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-OG 2.97Å; E120-S123 VanDerWaalsContact O-OG 3.12Å; S123-N125 VanDerWaalsContact C-N 3.28Å; S123-N125 PolarHBondContact O-N 3.02Å
124D55.8Low59.2Low143 Ų143127.2 Ų127.277%0.76566%0.661SS**THydrogen-bonded Turntrans-84.26.8-177.8-87.40.9000114.6
125N51.5Low57.9Low155 Ų155128.2 Ų128.283%0.82967%0.673SS**THydrogen-bonded Turntrans-126.118177.8-94.8-14.1000114.1S123S123-N125 VanDerWaalsContact C-N 3.28Å; S123-N125 PolarHBondContact O-N 3.02Å
126S50.8Low57.2Low88 Ų88129.1 Ų129.162%0.61568%0.677SS**  trans-114.362.2168.865.50000110.6V128S126-V128 VanDerWaalsContact C-N 3.33Å
127D47.2Very low56.3Low145 Ų145129.8 Ų129.878%0.77569%0.687SS**  trans-96.677.3153.7-141.51.3000105.7E129D127-E129 PolarHBondContact O-N 3.45Å
128V49.3Very low55.2Low111 Ų111132.9 Ų132.967%0.67370%0.7SS**  trans-80.3101.4165.2174.70000104.2S126 D130S126-V128 VanDerWaalsContact C-N 3.33Å; V128-D130 PolarHBondContact O-N 2.76Å
129E48.9Very low54.5Low158 Ų158137 Ų13774%0.73873%0.733SS**  trans-63.289.5163.5-67.5-118.8165.500107.8D127 D131D127-E129 PolarHBondContact O-N 3.45Å; E129-D131 PolarHBondContact O-N 3.15Å
130D48.3Very low53.8Low158 Ų158140.5 Ų140.585%0.84575%0.746SS**  trans-70.188.1151.6-98.1-22.5000106.2V128V128-D130 PolarHBondContact O-N 2.76Å
131D49.6Very low53.1Low119 Ų119142.6 Ų142.664%0.63676%0.761SS**  trans-119.2109.5162.3-157.212.4000109.5E129 T133E129-D131 PolarHBondContact O-N 3.15Å; D131-T133 PolarHBondContact O-N 3.37Å
132E49.3Very low52.7Low188 Ų188146.4 Ų146.488%0.87977%0.77SS**  trans-56.597.7177.2-68.2178.3146.800110.4
133T55.2Low52.4Low130 Ų130146.8 Ų146.880%0.79878%0.779SS**  trans-102.887.1171.536.60000111.3D131D131-T133 PolarHBondContact O-N 3.37Å
134Q53Low52Low155 Ų155151.4 Ų151.472%0.72480%0.796SS**  trans36.9105.2150.9-62.7-163-9.500118.8K136Q134-K136 PolarHBondContact O-N 3.17Å
135D47.5Very low51.7Low154 Ų154151.9 Ų151.982%0.82480%0.798SS**  trans-51.1116.8148.6-83.9-34.2000111.2
136K62.8Low51.7Low168 Ų168151.7 Ų151.773%0.7380%0.795SS**  trans-130.385.1152.6-71.7-169.3-176.9176.20108.6Q134 F138Q134-K136 PolarHBondContact O-N 3.17Å; K136-F138 PolarHBondContact O-N 3.29Å
137N57.8Low51.8Low145 Ų145156.6 Ų156.678%0.77581%0.809SS**  trans-63115.6159.2-80.8-32.9000108.6
138F50.6Low52.2Low207 Ų207157.6 Ų157.691%0.90881%0.812SS**  trans-67.2126.2157.8-105.5-96.8000108.2K136K136-F138 PolarHBondContact O-N 3.29Å
139T54.2Low52.5Low198 Ų198161.8 Ų161.8100%1.21583%0.825SS**  trans-102.10151.4-26.20000107.4

Retrieved 139 of 139 residues in 65.8 ms (Link to these results)