A0A087XMK8_POEFO Loading...

G protein pathway suppressor 2

AlphaFold DB , UniProt , Accession A0A087XMK8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 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
1M50Low61.3Low228 Ų228147 Ų147100%1.12378%0.778SS**  0122.90-73.6-105.952.800108
2P48.4Very low62.8Low119 Ų119144 Ų14477%0.77376%0.763SS**  trans-70.4136.2173.929.7-33.5000110.1
3A51.3Low64.6Low93 Ų93137.3 Ų137.377%0.76974%0.74SS**  trans-77.8126.517800000110.7L5A3-L5 PolarHBondContact O-N 3.41Å; A3-L5 VanDerWaalsContact O-N 3.09Å
4L54.2Low66.3Low167 Ų167135.6 Ų135.687%0.87473%0.727SS**  trans-73.298.8168.3-74.1171.4000108.9E6L4-E6 VanDerWaalsContact C-N 3.27Å; L4-E6 PolarHBondContact O-N 3.45Å
5L53Low67.5Low163 Ų163129.5 Ų129.585%0.85370%0.703SS**  trans-71.786.7168.4-134.276.8000108.4A3 R7A3-L5 PolarHBondContact O-N 3.41Å; A3-L5 VanDerWaalsContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.36Å
6E56.4Low68.7Low147 Ų147130.9 Ų130.969%0.68770%0.695SS**  trans-59.6103.1175.6-80.7-145.111200109.7L4 K9L4-E6 VanDerWaalsContact C-N 3.27Å; L4-E6 PolarHBondContact O-N 3.45Å; E6-K9 IonicContact OE1-NZ 2.93Å; E6-K9 PolarHBondContact OE1-NZ 3.3Å
7R64.5Low70.1Confident223 Ų223126.9 Ų126.984%0.84268%0.684SS**  trans-59.5128.4172.1-72.1179.2173.8158.5-1.9108.8L5 K9L5-R7 PolarHBondContact O-N 3.36Å; R7-K9 PolarHBondContact O-N 2.84Å
8P70.9Confident71.4Confident123 Ų123124.2 Ų124.280%0.79967%0.669SS**  trans-51.9116.2176.9-29.736.2000111.4L10P8-L10 PolarHBondContact O-N 3.5Å; P8-L10 VanDerWaalsContact O-N 3.16Å
9K73.3Confident72.5Confident169 Ų169123.8 Ų123.874%0.73566%0.662SS**  trans-67.7113179.3-68.4163.7-172.7146.10107.3E6 R7 S11E6-K9 IonicContact OE1-NZ 2.93Å; E6-K9 PolarHBondContact OE1-NZ 3.3Å; R7-K9 PolarHBondContact O-N 2.84Å; K9-S11 PolarHBondContact O-N 2.94Å
10L71.2Confident73.5Confident108 Ų108124.4 Ų124.457%0.56566%0.658SS**  trans-54.4128.2-179.4-61.793.4000108.9P8 N12 M14 L18P8-L10 PolarHBondContact O-N 3.5Å; P8-L10 VanDerWaalsContact O-N 3.16Å; L10-N12 PolarHBondContact O-N 3.46Å; L10-M14 HydrophobicContact CB-SD 4.35Å; L10-M14 HydrophobicContact CD2-CG 4.41Å; L10-M14 HydrophobicContact CD2-SD 4.03Å; L10-L18 HydrophobicContact CD2-CD2 4.31Å
11S80.9Confident74.4Confident77 Ų77123 Ų12354%0.53865%0.648SS.*  trans-50.2140.1-178.6172.10000110.8K9 A13 M14 A15K9-S11 PolarHBondContact O-N 2.94Å; S11-A13 PolarHBondContact O-N 2.71Å; S11-M14 CarbonylContact O-C 3.52Å; S11-M14 WeakPolarHBondContact O-CA 3.34Å; S11-M14 WeakPolarHBondContact O-CB 3.32Å; S11-M14 PolarHBondContact O-N 3.14Å; S11-A15 PolarHBondContact O-N 3.15Å
12N79.4Confident76.5Confident111 Ų111115.2 Ų115.259%0.59461%0.611SS**Hα-helixtrans-55.5-32.6-175.4-166.4-21.3000112L10 R16L10-N12 PolarHBondContact O-N 3.46Å; N12-R16 VanDerWaalsContact O-CG 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.4Å; N12-R16 PolarHBondContact O-N 3.46Å; N12-R16 VanDerWaalsContact O-N 3.07Å; N12-R16 PolarHBondContact OD1-NH1 2.94Å
13A86Confident78.6Confident57 Ų57113.3 Ų113.347%0.47159%0.592SS.*Hα-helixtrans-63.4-45.1170.700000113.1S11 R16 A17S11-A13 PolarHBondContact O-N 2.71Å; A13-R16 PolarHBondContact O-N 3.06Å; A13-A17 WeakPolarHBondContact O-CB 3.28Å; A13-A17 PolarHBondContact O-N 2.92Å
14M88.3Confident80.5Confident114 Ų114115.5 Ų115.556%0.56258%0.581SS**Hα-helixtrans-67.1-39.7176.7-175-178.7-75.200111.9L10 S11 A17 L18L10-M14 HydrophobicContact CB-SD 4.35Å; L10-M14 HydrophobicContact CD2-CG 4.41Å; L10-M14 HydrophobicContact CD2-SD 4.03Å; S11-M14 CarbonylContact O-C 3.52Å; S11-M14 WeakPolarHBondContact O-CA 3.34Å; S11-M14 WeakPolarHBondContact O-CB 3.32Å; S11-M14 PolarHBondContact O-N 3.14Å; M14-A17 PolarHBondContact O-N 2.87Å; M14-L18 VanDerWaalsContact O-CB 3.25Å; M14-L18 WeakPolarHBondContact O-CB 3.31Å; M14-L18 PolarHBondContact O-N 3.2Å
15A85.1Confident82.3Confident43 Ų43111 Ų11136%0.35556%0.555SS.*Hα-helixtrans-61.7-43.9175.200000111.9S11 H19S11-A15 PolarHBondContact O-N 3.15Å; A15-H19 WeakPolarHBondContact O-CB 3.41Å; A15-H19 PolarHBondContact O-N 3.29Å
16R86.9Confident84Confident153 Ų153111 Ų11158%0.57754%0.544SS*.Hα-helixtrans-66.3-40.4174.3-68.3-175.3-54.4-116.615.3112.5N12 A13 H19 K20N12-R16 VanDerWaalsContact O-CG 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.4Å; N12-R16 PolarHBondContact O-N 3.46Å; N12-R16 VanDerWaalsContact O-N 3.07Å; N12-R16 PolarHBondContact OD1-NH1 2.94Å; A13-R16 PolarHBondContact O-N 3.06Å; R16-H19 PolarHBondContact O-N 2.88Å; R16-K20 WeakPolarHBondContact O-CB 3.23Å; R16-K20 PolarHBondContact O-N 3.13Å
17A91.7Very high85.4Confident62 Ų62107.8 Ų107.851%0.51253%0.529SS..Hα-helixtrans-63.6-45.517600000111.8A13 M14 K20 H21A13-A17 WeakPolarHBondContact O-CB 3.28Å; A13-A17 PolarHBondContact O-N 2.92Å; M14-A17 PolarHBondContact O-N 2.87Å; A17-K20 PolarHBondContact O-N 3.37Å; A17-H21 WeakPolarHBondContact O-CB 3.38Å; A17-H21 PolarHBondContact O-N 3.14Å
18L94Very high86.6Confident78 Ų78102.7 Ų102.741%0.40851%0.509SS..Hα-helixtrans-63.6-43.4176.3-179.760.3000111.5L10 M14 K20 H21 I22L10-L18 HydrophobicContact CD2-CD2 4.31Å; M14-L18 VanDerWaalsContact O-CB 3.25Å; M14-L18 WeakPolarHBondContact O-CB 3.31Å; M14-L18 PolarHBondContact O-N 3.2Å; L18-K20 PolarHBondContact O-N 2.83Å; L18-H21 WeakPolarHBondContact O-CB 3.25Å; L18-H21 PolarHBondContact O-N 3.43Å; L18-I22 HydrophobicContact CD1-CD1 3.94Å; L18-I22 HydrophobicContact CD1-CG1 4.15Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 HydrophobicContact CG-CG1 4.44Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-I22 PolarHBondContact O-N 2.81Å
19H91.7Very high87.3Confident117 Ų117103 Ų10354%0.54250%0.498SS..Hα-helixtrans-60.8-45.6174.5-177.382.3000111.7A15 R16 H21 I22 M23A15-H19 WeakPolarHBondContact O-CB 3.41Å; A15-H19 PolarHBondContact O-N 3.29Å; R16-H19 PolarHBondContact O-N 2.88Å; H19-H21 VanDerWaalsContact C-N 3.28Å; H19-H21 PolarHBondContact O-N 3.02Å; H19-I22 PolarHBondContact O-N 2.7Å; H19-M23 WeakPolarHBondContact O-CG 3.39Å; H19-M23 PolarHBondContact O-N 2.7Å
20K92.4Very high88Confident135 Ų135101.2 Ų101.259%0.58749%0.487SS*.Hα-helixtrans-63.8-31.8175.4-170.3174.9-177.7175.20112.5R16 A17 L18 R24R16-K20 WeakPolarHBondContact O-CB 3.23Å; R16-K20 PolarHBondContact O-N 3.13Å; A17-K20 PolarHBondContact O-N 3.37Å; L18-K20 PolarHBondContact O-N 2.83Å; K20-R24 WeakPolarHBondContact O-CG 3.37Å; K20-R24 PolarHBondContact O-N 3.18Å; K20-R24 PolarHBondContact O-NH1 3.25Å
21H93Very high88.6Confident96 Ų96101.3 Ų101.344%0.44448%0.484SS..Hα-helixtrans-68.8-52.5171.6178.450.3000111.4A17 L18 H19 M23 R24 E25A17-H21 WeakPolarHBondContact O-CB 3.38Å; A17-H21 PolarHBondContact O-N 3.14Å; L18-H21 WeakPolarHBondContact O-CB 3.25Å; L18-H21 PolarHBondContact O-N 3.43Å; H19-H21 VanDerWaalsContact C-N 3.28Å; H19-H21 PolarHBondContact O-N 3.02Å; H21-M23 VanDerWaalsContact C-N 3.3Å; H21-M23 PolarHBondContact O-N 2.68Å; H21-R24 CarbonylContact O-C 3.59Å; H21-R24 PolarHBondContact O-N 2.92Å; H21-R24 VanDerWaalsContact O-N 3.08Å; H21-E25 VanDerWaalsContact CE1-CG 3.4Å; H21-E25 WeakPolarHBondContact CE1-CG 3.33Å; H21-E25 WeakPolarHBondContact O-CG 3.38Å; H21-E25 PolarHBondContact O-N 3.43Å
22I93.4Very high88.3Confident65 Ų65102.8 Ų102.833%0.33348%0.483SS..Hα-helixtrans-59.2-38.9178.8-65.9166.9000111.9L18 H19 E25 R26L18-I22 HydrophobicContact CD1-CD1 3.94Å; L18-I22 HydrophobicContact CD1-CG1 4.15Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 HydrophobicContact CG-CG1 4.44Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-I22 PolarHBondContact O-N 2.81Å; H19-I22 PolarHBondContact O-N 2.7Å; I22-E25 PolarHBondContact O-N 3.48Å; I22-R26 WeakPolarHBondContact O-CB 3.41Å; I22-R26 VanDerWaalsContact O-CG 3.28Å; I22-R26 WeakPolarHBondContact O-CG 3.49Å; I22-R26 PolarHBondContact O-N 3.47Å
23M93.3Very high88Confident79 Ų79103.5 Ų103.539%0.38948%0.482SS..Hα-helixtrans-65.2-46.2174.1-69-58.8105.200111.6H19 H21 E25 R26 E27H19-M23 WeakPolarHBondContact O-CG 3.39Å; H19-M23 PolarHBondContact O-N 2.7Å; H21-M23 VanDerWaalsContact C-N 3.3Å; H21-M23 PolarHBondContact O-N 2.68Å; M23-E25 VanDerWaalsContact C-N 3.34Å; M23-E25 PolarHBondContact O-N 3.46Å; M23-R26 PolarHBondContact O-N 2.91Å; M23-E27 WeakPolarHBondContact O-CB 3.44Å; M23-E27 PolarHBondContact O-N 3.17Å
24R91.6Very high87.6Confident139 Ų139106.8 Ų106.853%0.52549%0.488SS..Hα-helixtrans-62.1-38.3174.3-79.6-156.7-119.870.6-24.5113K20 H21 E27 R28K20-R24 WeakPolarHBondContact O-CG 3.37Å; K20-R24 PolarHBondContact O-N 3.18Å; K20-R24 PolarHBondContact O-NH1 3.25Å; H21-R24 CarbonylContact O-C 3.59Å; H21-R24 PolarHBondContact O-N 2.92Å; H21-R24 VanDerWaalsContact O-N 3.08Å; R24-E27 PolarHBondContact O-N 2.98Å; R24-R28 WeakPolarHBondContact O-CB 3.21Å; R24-R28 PolarHBondContact O-N 3.35Å
25E90.4Very high87.2Confident71 Ų71108.1 Ų108.133%0.33249%0.493SS..Hα-helixtrans-67.9-38178.8-76.3-63.798.200112.2H21 I22 M23 R28 K29H21-E25 VanDerWaalsContact CE1-CG 3.4Å; H21-E25 WeakPolarHBondContact CE1-CG 3.33Å; H21-E25 WeakPolarHBondContact O-CG 3.38Å; H21-E25 PolarHBondContact O-N 3.43Å; I22-E25 PolarHBondContact O-N 3.48Å; M23-E25 VanDerWaalsContact C-N 3.34Å; M23-E25 PolarHBondContact O-N 3.46Å; E25-R28 IonicContact OE1-CZ 2.73Å; E25-R28 IonicContact OE1-NE 3.77Å; E25-R28 PolarHBondContact OE1-NE 3.06Å; E25-R28 IonicContact OE1-NH2 2.73Å; E25-R28 PolarHBondContact OE1-NH2 3.34Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NE 3.79Å; E25-R28 IonicContact OE2-NH2 3.53Å; E25-R28 PolarHBondContact OE2-NH2 3.39Å; E25-K29 WeakPolarHBondContact O-CB 3.29Å; E25-K29 PolarHBondContact O-N 2.72Å
26R89.6Confident87Confident164 Ų164110 Ų11062%0.61950%0.5SS*.Hα-helixtrans-67.3-40.4173.2-72.5172.6-179.5-161.1-1.8112I22 M23 R30I22-R26 WeakPolarHBondContact O-CB 3.41Å; I22-R26 VanDerWaalsContact O-CG 3.28Å; I22-R26 WeakPolarHBondContact O-CG 3.49Å; I22-R26 PolarHBondContact O-N 3.47Å; M23-R26 PolarHBondContact O-N 2.91Å; R26-R30 PolarHBondContact O-N 2.97Å
27E85.7Confident86.7Confident79 Ų79107.8 Ų107.837%0.36950%0.5SS..Hα-helixtrans-69.1-44.3177.9-157.360.9-141.700111.5M23 R24 K29 R30 Q31M23-E27 WeakPolarHBondContact O-CB 3.44Å; M23-E27 PolarHBondContact O-N 3.17Å; R24-E27 PolarHBondContact O-N 2.98Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 2.96Å; E27-R30 PolarHBondContact O-N 2.85Å; E27-R30 IonicContact OE1-CZ 3.98Å; E27-R30 IonicContact OE1-NH1 3.84Å; E27-R30 PolarHBondContact OE1-NH1 3Å; E27-R30 IonicContact OE2-CZ 2.76Å; E27-R30 IonicContact OE2-NH1 3.6Å; E27-R30 PolarHBondContact OE2-NH1 2.84Å; E27-R30 IonicContact OE2-NH2 3.57Å; E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 3.32Å
28R88.9Confident86.6Confident116 Ų116111.5 Ų111.544%0.43850%0.504SS..Hα-helixtrans-57.7-45.8173-175-177.867.370.8-4.3111.2R24 E25 Q31 E32R24-R28 WeakPolarHBondContact O-CB 3.21Å; R24-R28 PolarHBondContact O-N 3.35Å; E25-R28 IonicContact OE1-CZ 2.73Å; E25-R28 IonicContact OE1-NE 3.77Å; E25-R28 PolarHBondContact OE1-NE 3.06Å; E25-R28 IonicContact OE1-NH2 2.73Å; E25-R28 PolarHBondContact OE1-NH2 3.34Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NE 3.79Å; E25-R28 IonicContact OE2-NH2 3.53Å; E25-R28 PolarHBondContact OE2-NH2 3.39Å; R28-Q31 PolarHBondContact O-N 3.24Å; R28-E32 IonicContact NH1-OE2 2.66Å; R28-E32 PolarHBondContact NH1-OE2 3.4Å; R28-E32 WeakPolarHBondContact O-CB 3.44Å; R28-E32 PolarHBondContact O-N 2.76Å
29K86.8Confident86.1Confident129 Ų129113 Ų11356%0.56151%0.51SS*.Hα-helixtrans-63.8-40.8176.5-169.6-175.8176.3-162.20111.9E25 E27 Q31 E32 E33E25-K29 WeakPolarHBondContact O-CB 3.29Å; E25-K29 PolarHBondContact O-N 2.72Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 2.96Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.66Å; K29-E32 PolarHBondContact O-N 3.28Å; K29-E33 VanDerWaalsContact O-CB 3.29Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 PolarHBondContact O-N 2.76Å
30R86.9Confident85.6Confident132 Ų132113 Ų11350%0.49851%0.512SS..Hα-helixtrans-60.4-45174.9-172.9-170.2-61.4133.47.6111.2R26 E27 E33 E34R26-R30 PolarHBondContact O-N 2.97Å; E27-R30 PolarHBondContact O-N 2.85Å; E27-R30 IonicContact OE1-CZ 3.98Å; E27-R30 IonicContact OE1-NH1 3.84Å; E27-R30 PolarHBondContact OE1-NH1 3Å; E27-R30 IonicContact OE2-CZ 2.76Å; E27-R30 IonicContact OE2-NH1 3.6Å; E27-R30 PolarHBondContact OE2-NH1 2.84Å; E27-R30 IonicContact OE2-NH2 3.57Å; R30-E33 PolarHBondContact O-N 3.34Å; R30-E34 VanDerWaalsContact O-CB 3.23Å; R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 2.95Å
31Q84.6Confident85.2Confident111 Ų111113.2 Ų113.252%0.51952%0.515SS..Hα-helixtrans-63.9-40.1178.4-71170.4-5.300112.2E27 R28 K29 E34 E35E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 3.32Å; R28-Q31 PolarHBondContact O-N 3.24Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.66Å; Q31-E34 PolarHBondContact O-N 3.24Å; Q31-E35 VanDerWaalsContact O-CB 3.25Å; Q31-E35 WeakPolarHBondContact O-CB 3.44Å; Q31-E35 PolarHBondContact O-N 3.36Å
32E75.1Confident84.7Confident107 Ų107114.5 Ų114.550%0.552%0.521SS..Hα-helixtrans-64-40174.6-169.3177161.400111.6R28 K29 V36R28-E32 IonicContact NH1-OE2 2.66Å; R28-E32 PolarHBondContact NH1-OE2 3.4Å; R28-E32 WeakPolarHBondContact O-CB 3.44Å; R28-E32 PolarHBondContact O-N 2.76Å; K29-E32 PolarHBondContact O-N 3.28Å; E32-V36 WeakPolarHBondContact O-CB 3.46Å; E32-V36 VanDerWaalsContact O-CG2 3.24Å; E32-V36 WeakPolarHBondContact O-CG2 2.97Å; E32-V36 PolarHBondContact O-N 2.89Å; E32-V36 VanDerWaalsContact O-N 3.11Å
33E72.5Confident84.3Confident126 Ų126117.9 Ų117.959%0.58953%0.534SS*.Hα-helixtrans-70.2-41.7176.4-168.1162.3-169.700112K29 R30 V36 D37K29-E33 VanDerWaalsContact O-CB 3.29Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 PolarHBondContact O-N 2.76Å; R30-E33 PolarHBondContact O-N 3.34Å; E33-V36 PolarHBondContact O-N 3.31Å; E33-D37 WeakPolarHBondContact O-CB 3.38Å; E33-D37 PolarHBondContact O-N 2.87Å
34E78.1Confident83.8Confident126 Ų126119.7 Ų119.759%0.58954%0.544SS*.Hα-helixtrans-70-34.6176.5-171.5176.6171.200112.6R30 Q31 K38R30-E34 VanDerWaalsContact O-CB 3.23Å; R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 2.95Å; Q31-E34 PolarHBondContact O-N 3.24Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 PolarHBondContact O-N 3.06Å
35E79.8Confident83.7Confident142 Ų142119.7 Ų119.766%0.66455%0.548SS*.Hα-helixtrans-71.1-37.1173.4-175.2168.6-160.400112Q31 M39Q31-E35 VanDerWaalsContact O-CB 3.25Å; Q31-E35 WeakPolarHBondContact O-CB 3.44Å; Q31-E35 PolarHBondContact O-N 3.36Å; E35-M39 WeakPolarHBondContact O-CB 3.49Å; E35-M39 PolarHBondContact O-N 2.91Å
36V80.3Confident83.3Confident82 Ų82121.5 Ų121.550%0.49756%0.557SS.*Hα-helixtrans-67.4-44.3173.4166.80000111.6E32 E33 M39 M40E32-V36 WeakPolarHBondContact O-CB 3.46Å; E32-V36 VanDerWaalsContact O-CG2 3.24Å; E32-V36 WeakPolarHBondContact O-CG2 2.97Å; E32-V36 PolarHBondContact O-N 2.89Å; E32-V36 VanDerWaalsContact O-N 3.11Å; E33-V36 PolarHBondContact O-N 3.31Å; V36-M39 PolarHBondContact O-N 3.14Å; V36-M40 PolarHBondContact O-N 3.4Å
37D81.8Confident82.5Confident108 Ų108120.6 Ų120.658%0.57856%0.559SS**Hα-helixtrans-63.4-44.9177.4-165.646.1000111.1E33 M39 M40 E41E33-D37 WeakPolarHBondContact O-CB 3.38Å; E33-D37 PolarHBondContact O-N 2.87Å; D37-M39 VanDerWaalsContact C-N 3.34Å; D37-M39 PolarHBondContact O-N 3.46Å; D37-M40 CarbonylContact O-C 3.58Å; D37-M40 WeakPolarHBondContact O-CA 3.39Å; D37-M40 WeakPolarHBondContact O-CB 3.47Å; D37-M40 PolarHBondContact O-N 2.9Å; D37-E41 PolarHBondContact O-N 3.28Å
38K89.6Confident82.1Confident139 Ų139120.9 Ų120.960%0.60456%0.56SS**Hα-helixtrans-60.5-38.2172.7-178-179.1177.3-175.10113.2E34 M40 Q42E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 PolarHBondContact O-N 3.06Å; K38-M40 VanDerWaalsContact C-N 3.32Å; K38-Q42 VanDerWaalsContact O-CB 3.26Å; K38-Q42 WeakPolarHBondContact O-CB 3.41Å; K38-Q42 PolarHBondContact O-N 3.28Å
39M83.6Confident81.6Confident109 Ų109121.5 Ų121.554%0.53757%0.569SS.*Hα-helixtrans-66.1-37.3172.8-167.4-160.5-59.900111.2E35 V36 D37 K43E35-M39 WeakPolarHBondContact O-CB 3.49Å; E35-M39 PolarHBondContact O-N 2.91Å; V36-M39 PolarHBondContact O-N 3.14Å; D37-M39 VanDerWaalsContact C-N 3.34Å; D37-M39 PolarHBondContact O-N 3.46Å; M39-K43 WeakPolarHBondContact O-CB 3.31Å; M39-K43 WeakPolarHBondContact O-CG 3.47Å; M39-K43 PolarHBondContact O-N 2.93Å
40M79.9Confident81.3Confident119 Ų119124 Ų12459%0.58657%0.574SS**Hα-helixtrans-67.4-46.3177.4-162.2-176.8-48.800111.6V36 D37 K38 K43 L44V36-M40 PolarHBondContact O-N 3.4Å; D37-M40 CarbonylContact O-C 3.58Å; D37-M40 WeakPolarHBondContact O-CA 3.39Å; D37-M40 WeakPolarHBondContact O-CB 3.47Å; D37-M40 PolarHBondContact O-N 2.9Å; K38-M40 VanDerWaalsContact C-N 3.32Å; M40-K43 PolarHBondContact O-N 3.36Å; M40-L44 WeakPolarHBondContact O-CB 3.49Å; M40-L44 PolarHBondContact O-N 3.43Å
41E83.9Confident81.1Confident138 Ų138125 Ų12565%0.64558%0.582SS**Hα-helixtrans-59.1-47.4173.2-170.7-168.8-163.700110.8D37 K43 L44 K45D37-E41 PolarHBondContact O-N 3.28Å; E41-K43 PolarHBondContact O-N 3.43Å; E41-L44 PolarHBondContact O-N 2.87Å; E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 2.98Å
42Q83.5Confident81Confident123 Ų123127 Ų12758%0.57559%0.585SS**Hα-helixtrans-60.7-42.6177.8-177.4174.1-17.500111.9K38 K45 E46K38-Q42 VanDerWaalsContact O-CB 3.26Å; K38-Q42 WeakPolarHBondContact O-CB 3.41Å; K38-Q42 PolarHBondContact O-N 3.28Å; Q42-K45 PolarHBondContact O-N 3.04Å; Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 PolarHBondContact O-N 3.22Å
43K84.6Confident81Confident137 Ų137125.9 Ų125.960%0.59659%0.586SS**Hα-helixtrans-66.6-42.8176.3-83-156.1172.6-164.70113.1M39 M40 E41 K45 E46 E47M39-K43 WeakPolarHBondContact O-CB 3.31Å; M39-K43 WeakPolarHBondContact O-CG 3.47Å; M39-K43 PolarHBondContact O-N 2.93Å; M40-K43 PolarHBondContact O-N 3.36Å; E41-K43 PolarHBondContact O-N 3.43Å; K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 2.8Å; K43-E46 PolarHBondContact O-N 3.34Å; K43-E47 WeakPolarHBondContact O-CB 3.14Å; K43-E47 PolarHBondContact O-N 3.39Å
44L83.5Confident81.5Confident116 Ų116126.2 Ų126.261%0.60759%0.585SS**Hα-helixtrans-63.5-37.9178.3-169.4152.7000110.5M40 E41 E48M40-L44 WeakPolarHBondContact O-CB 3.49Å; M40-L44 PolarHBondContact O-N 3.43Å; E41-L44 PolarHBondContact O-N 2.87Å; L44-E48 WeakPolarHBondContact O-CB 3.46Å; L44-E48 PolarHBondContact O-N 3.31Å
45K87.7Confident81.3Confident139 Ų139124.9 Ų124.960%0.60458%0.579SS**Hα-helixtrans-68.9-42.3174.6-170.3172.9-175.5172.50113.1E41 Q42 K43 E48 E49E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 2.98Å; Q42-K45 PolarHBondContact O-N 3.04Å; K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 2.8Å; K45-E48 PolarHBondContact O-N 3.11Å; K45-E49 WeakPolarHBondContact O-CB 3.33Å; K45-E49 PolarHBondContact O-N 3.47Å
46E83.1Confident81Confident110 Ų110123.4 Ų123.451%0.51458%0.575SS.*Hα-helixtrans-63.6-40.5173.5-171.1-169.7148.100111.3Q42 K43 R50Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 PolarHBondContact O-N 3.22Å; K43-E46 PolarHBondContact O-N 3.34Å; E46-R50 WeakPolarHBondContact O-CB 3.41Å; E46-R50 PolarHBondContact O-N 2.81Å
47E73.1Confident80.6Confident144 Ų144126 Ų12667%0.67358%0.582SS**Hα-helixtrans-65.9-41.9175.3-172.6176.4172.700111.6K43 K51K43-E47 WeakPolarHBondContact O-CB 3.14Å; K43-E47 PolarHBondContact O-N 3.39Å; E47-K51 WeakPolarHBondContact O-CB 3.49Å; E47-K51 PolarHBondContact O-N 2.97Å
48E76.4Confident80.3Confident85 Ų85127.1 Ų127.140%0.39758%0.583SS.*Hα-helixtrans-65.5-43.9175.5-155.9-156.1150.500111.9L44 K45 K51 R52L44-E48 WeakPolarHBondContact O-CB 3.46Å; L44-E48 PolarHBondContact O-N 3.31Å; K45-E48 PolarHBondContact O-N 3.11Å; E48-K51 WeakPolarHBondContact O-CB 3.47Å; E48-K51 PolarHBondContact O-N 3.1Å; E48-R52 WeakPolarHBondContact O-CG 3.46Å; E48-R52 PolarHBondContact O-N 3.36Å; E48-R52 IonicContact OE1-CZ 3.63Å; E48-R52 IonicContact OE1-NE 3.67Å; E48-R52 PolarHBondContact OE1-NE 3.37Å; E48-R52 IonicContact OE1-NH2 3.5Å; E48-R52 PolarHBondContact OE1-NH2 3.26Å
49E79.2Confident80Confident130 Ų130127.6 Ų127.661%0.60758%0.581SS**Hα-helixtrans-61.6-49.1176.3-174.4167.4-173.900110.7K45 K51 R52 T53K45-E49 WeakPolarHBondContact O-CB 3.33Å; K45-E49 PolarHBondContact O-N 3.47Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.94Å; E49-R52 PolarHBondContact O-N 2.91Å; E49-R52 VanDerWaalsContact O-N 3.11Å; E49-T53 PolarHBondContact O-N 3.04Å; E49-T53 PolarHBondContact O-OG1 3.42Å
50R80.6Confident78.9Confident181 Ų181128.6 Ų128.668%0.68359%0.586SS**Hα-helixtrans-57.6-39175-172.4-180-169.7122.85.9112.4E46 K54E46-R50 WeakPolarHBondContact O-CB 3.41Å; E46-R50 PolarHBondContact O-N 2.81Å; R50-K54 WeakPolarHBondContact O-CB 3.43Å; R50-K54 PolarHBondContact O-N 2.96Å; R50-K54 VanDerWaalsContact O-N 3.07Å
51K81.9Confident78.9Confident152 Ų152126 Ų12666%0.66158%0.58SS**Hα-helixtrans-66.5-42.9175.7-177.9-177.1176.4-174.30111.7E47 E48 E49 K54 E55E47-K51 WeakPolarHBondContact O-CB 3.49Å; E47-K51 PolarHBondContact O-N 2.97Å; E48-K51 WeakPolarHBondContact O-CB 3.47Å; E48-K51 PolarHBondContact O-N 3.1Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.94Å; K51-K54 PolarHBondContact O-N 3.29Å; K51-E55 PolarHBondContact O-N 3.22Å
52R82.8Confident79.1Confident153 Ų153124 Ų12458%0.57757%0.573SS**Hα-helixtrans-64.6-43.6175.7-71.5178.7-176-149.99.8111.8E48 E49 K54 E55 I56E48-R52 WeakPolarHBondContact O-CG 3.46Å; E48-R52 PolarHBondContact O-N 3.36Å; E48-R52 IonicContact OE1-CZ 3.63Å; E48-R52 IonicContact OE1-NE 3.67Å; E48-R52 PolarHBondContact OE1-NE 3.37Å; E48-R52 IonicContact OE1-NH2 3.5Å; E48-R52 PolarHBondContact OE1-NH2 3.26Å; E49-R52 PolarHBondContact O-N 2.91Å; E49-R52 VanDerWaalsContact O-N 3.11Å; R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.89Å; R52-E55 PolarHBondContact O-N 3.08Å; R52-I56 VanDerWaalsContact O-CG1 3.31Å; R52-I56 WeakPolarHBondContact O-CG1 3.41Å; R52-I56 PolarHBondContact O-N 3.14Å
53T75.6Confident79.2Confident85 Ų85122.9 Ų122.952%0.52157%0.568SS.*Hα-helixtrans-59.2-44175.6-51.60000111E49 I56 E57E49-T53 PolarHBondContact O-N 3.04Å; E49-T53 PolarHBondContact O-OG1 3.42Å; T53-I56 PolarHBondContact O-N 3.09Å; T53-E57 WeakPolarHBondContact O-CB 3.4Å; T53-E57 PolarHBondContact O-N 3.17Å
54K81.9Confident79.4Confident132 Ų132123 Ų12357%0.57457%0.571SS**Hα-helixtrans-65.4-39.9175.9-170.6-177.2176.1-170.70112.9R50 K51 R52 I56 E57 E58R50-K54 WeakPolarHBondContact O-CB 3.43Å; R50-K54 PolarHBondContact O-N 2.96Å; R50-K54 VanDerWaalsContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 3.29Å; R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.89Å; K54-I56 VanDerWaalsContact C-N 3.32Å; K54-I56 PolarHBondContact O-N 3.49Å; K54-E57 PolarHBondContact O-N 3.12Å; K54-E58 WeakPolarHBondContact O-CB 3.33Å; K54-E58 PolarHBondContact O-N 2.97Å
55E74.2Confident79.7Confident99 Ų99121 Ų12146%0.46356%0.563SS.*Hα-helixtrans-63.1-40.7174.4-173.6177.3171.900110.9K51 R52 E58 R59K51-E55 PolarHBondContact O-N 3.22Å; R52-E55 PolarHBondContact O-N 3.08Å; E55-E58 PolarHBondContact O-N 3.22Å; E55-R59 HydrophobicContact CG-CG 4.28Å; E55-R59 WeakPolarHBondContact O-CB 3.46Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 2.76Å; E55-R59 IonicContact OE1-NE 3.52Å; E55-R59 PolarHBondContact OE1-NE 3.09Å; E55-R59 IonicContact OE1-NH2 3.85Å; E55-R59 PolarHBondContact OE1-NH2 3.28Å
56I73.2Confident80Confident111 Ų111118.8 Ų118.857%0.56955%0.553SS**Hα-helixtrans-63-44.6176.4-66.8162.8000110.9R52 T53 K54 R59 M60R52-I56 VanDerWaalsContact O-CG1 3.31Å; R52-I56 WeakPolarHBondContact O-CG1 3.41Å; R52-I56 PolarHBondContact O-N 3.14Å; T53-I56 PolarHBondContact O-N 3.09Å; K54-I56 VanDerWaalsContact C-N 3.32Å; K54-I56 PolarHBondContact O-N 3.49Å; I56-R59 WeakPolarHBondContact O-CB 3.3Å; I56-R59 PolarHBondContact O-N 3.34Å; I56-M60 VanDerWaalsContact O-CG 3.31Å; I56-M60 WeakPolarHBondContact O-CG 3.29Å; I56-M60 PolarHBondContact O-N 3.47Å
57E72.5Confident80.6Confident137 Ų137118.9 Ų118.964%0.6455%0.554SS**Hα-helixtrans-59.5-47.1175.4-175.7178.7-15700112T53 K54 R59 M60 S61T53-E57 WeakPolarHBondContact O-CB 3.4Å; T53-E57 PolarHBondContact O-N 3.17Å; K54-E57 PolarHBondContact O-N 3.12Å; E57-R59 VanDerWaalsContact C-N 3.34Å; E57-R59 PolarHBondContact O-N 3.33Å; E57-M60 PolarHBondContact O-N 3.02Å; E57-S61 PolarHBondContact O-N 3.2Å
58E76.3Confident81.7Confident131 Ų131118.1 Ų118.161%0.61255%0.55SS**Hα-helixtrans-63.9-37.8177.2-169175.514900111.9K54 E55 L62K54-E58 WeakPolarHBondContact O-CB 3.33Å; K54-E58 PolarHBondContact O-N 2.97Å; E55-E58 PolarHBondContact O-N 3.22Å; E58-L62 VanDerWaalsContact O-CB 3.28Å; E58-L62 WeakPolarHBondContact O-CB 3.48Å; E58-L62 PolarHBondContact O-N 3.39Å
59R82.5Confident82.6Confident148 Ų148117.6 Ų117.656%0.55855%0.552SS**Hα-helixtrans-62.5-45.9173.4-69.6-79-178.1168.23.6111.7E55 I56 E57 L62 E63E55-R59 HydrophobicContact CG-CG 4.28Å; E55-R59 WeakPolarHBondContact O-CB 3.46Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 2.76Å; E55-R59 IonicContact OE1-NE 3.52Å; E55-R59 PolarHBondContact OE1-NE 3.09Å; E55-R59 IonicContact OE1-NH2 3.85Å; E55-R59 PolarHBondContact OE1-NH2 3.28Å; I56-R59 WeakPolarHBondContact O-CB 3.3Å; I56-R59 PolarHBondContact O-N 3.34Å; E57-R59 VanDerWaalsContact C-N 3.34Å; E57-R59 PolarHBondContact O-N 3.33Å; R59-L62 PolarHBondContact O-N 3.4Å; R59-E63 PolarHBondContact O-N 3.32Å
60M60Low83.4Confident131 Ų131117.6 Ų117.665%0.64555%0.554SS**Hα-helixtrans-64.2-43.5179.3-68.3-61.5-6300111.8I56 E57 L62 E63 E64I56-M60 VanDerWaalsContact O-CG 3.31Å; I56-M60 WeakPolarHBondContact O-CG 3.29Å; I56-M60 PolarHBondContact O-N 3.47Å; E57-M60 PolarHBondContact O-N 3.02Å; M60-L62 PolarHBondContact O-N 3.12Å; M60-E63 WeakPolarHBondContact O-CB 3.41Å; M60-E63 PolarHBondContact O-N 3.04Å; M60-E64 PolarHBondContact O-N 2.93Å
61S81.3Confident84.2Confident65 Ų65113.6 Ų113.646%0.45554%0.542SS..Hα-helixtrans-66.7-35.1176.8-175.40000112.8E57 E63 T65E57-S61 PolarHBondContact O-N 3.2Å; S61-E63 VanDerWaalsContact C-N 3.34Å; S61-T65 PolarHBondContact O-N 2.98Å; S61-T65 VanDerWaalsContact O-N 3.09Å; S61-T65 PolarHBondContact O-OG1 3.45Å
62L86.9Confident85Confident95 Ų95112.4 Ų112.450%0.49754%0.54SS..Hα-helixtrans-67.8-33.7172.1-171.469.4000112E58 R59 M60 K66E58-L62 VanDerWaalsContact O-CB 3.28Å; E58-L62 WeakPolarHBondContact O-CB 3.48Å; E58-L62 PolarHBondContact O-N 3.39Å; R59-L62 PolarHBondContact O-N 3.4Å; M60-L62 PolarHBondContact O-N 3.12Å; L62-K66 WeakPolarHBondContact O-CE 3.27Å; L62-K66 WeakPolarHBondContact O-CG 3.37Å; L62-K66 PolarHBondContact O-N 3.16Å; L62-K66 VanDerWaalsContact O-N 3.1Å
63E84.9Confident85.7Confident100 Ų100110.8 Ų110.847%0.46754%0.539SS..Hα-helixtrans-66.1-46.2174.5-142.264.6-106.600111.5R59 M60 S61 T65 K66 E67R59-E63 PolarHBondContact O-N 3.32Å; M60-E63 WeakPolarHBondContact O-CB 3.41Å; M60-E63 PolarHBondContact O-N 3.04Å; S61-E63 VanDerWaalsContact C-N 3.34Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.78Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 VanDerWaalsContact O-N 3.13Å; E63-K66 WeakPolarHBondContact OE1-CE 3.47Å; E63-K66 IonicContact OE1-NZ 2.96Å; E63-K66 PolarHBondContact OE1-NZ 3.36Å; E63-K66 IonicContact OE2-NZ 3.27Å; E63-K66 PolarHBondContact OE2-NZ 2.85Å; E63-E67 PolarHBondContact O-N 2.85Å
64E89.3Confident86.7Confident140 Ų140113.5 Ų113.565%0.65455%0.546SS*.Hα-helixtrans-57.5-43.2174.1-177.1-179.5-168.500111.8M60 K66 E67 Q68M60-E64 PolarHBondContact O-N 2.93Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.14Å; E64-E67 PolarHBondContact O-N 2.93Å; E64-Q68 PolarHBondContact O-N 3.11Å
65T91Very high87.5Confident72 Ų72113.7 Ų113.744%0.44255%0.546SS..Hα-helixtrans-62.7-39.5176.7-55.80000111.8S61 E63 Q68 V69S61-T65 PolarHBondContact O-N 2.98Å; S61-T65 VanDerWaalsContact O-N 3.09Å; S61-T65 PolarHBondContact O-OG1 3.45Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.78Å; T65-Q68 PolarHBondContact O-N 2.88Å; T65-V69 WeakPolarHBondContact O-CG2 3.16Å; T65-V69 PolarHBondContact O-N 3.44Å
66K93.9Very high88.6Confident93 Ų93113.8 Ų113.840%0.40455%0.55SS..Hα-helixtrans-64.9-43.7173.9-72.6175.8-120.6160.60111.9L62 E63 E64 Q68 V69 M70L62-K66 WeakPolarHBondContact O-CE 3.27Å; L62-K66 WeakPolarHBondContact O-CG 3.37Å; L62-K66 PolarHBondContact O-N 3.16Å; L62-K66 VanDerWaalsContact O-N 3.1Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 VanDerWaalsContact O-N 3.13Å; E63-K66 WeakPolarHBondContact OE1-CE 3.47Å; E63-K66 IonicContact OE1-NZ 2.96Å; E63-K66 PolarHBondContact OE1-NZ 3.36Å; E63-K66 IonicContact OE2-NZ 3.27Å; E63-K66 PolarHBondContact OE2-NZ 2.85Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.14Å; K66-Q68 VanDerWaalsContact C-N 3.3Å; K66-Q68 PolarHBondContact O-N 3.47Å; K66-V69 PolarHBondContact O-N 3.25Å; K66-M70 PolarHBondContact O-N 3.49Å
67E94.3Very high89.8Confident112 Ų112114.1 Ų114.152%0.52355%0.549SS..Hα-helixtrans-60.1-42.8177.7-163.8-156.6128.400110.7E63 E64 V69 M70 K71E63-E67 PolarHBondContact O-N 2.85Å; E64-E67 PolarHBondContact O-N 2.93Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 3.41Å; E67-M70 PolarHBondContact O-N 2.93Å; E67-K71 WeakPolarHBondContact O-CB 3.46Å; E67-K71 PolarHBondContact O-N 3.06Å; E67-K71 IonicContact OE1-NZ 3.97Å; E67-K71 PolarHBondContact OE1-NZ 3.26Å
68Q96.3Very high91Very high128 Ų128109.1 Ų109.160%0.59853%0.534SS*.Hα-helixtrans-61-40.3177-167.6178.837.300112.3E64 T65 K66 M72E64-Q68 PolarHBondContact O-N 3.11Å; T65-Q68 PolarHBondContact O-N 2.88Å; K66-Q68 VanDerWaalsContact C-N 3.3Å; K66-Q68 PolarHBondContact O-N 3.47Å; Q68-M72 WeakPolarHBondContact O-CG 3.38Å; Q68-M72 PolarHBondContact O-N 3.27Å; Q68-M72 VanDerWaalsContact O-N 3.11Å
69V95.6Very high92.1Very high74 Ų74108 Ų10845%0.44853%0.532SS..Hα-helixtrans-63.8-52.8175171.60000110.9T65 K66 E67 K71 M72 E73T65-V69 WeakPolarHBondContact O-CG2 3.16Å; T65-V69 PolarHBondContact O-N 3.44Å; K66-V69 PolarHBondContact O-N 3.25Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 3.41Å; V69-K71 VanDerWaalsContact C-N 3.27Å; V69-K71 PolarHBondContact O-N 3.13Å; V69-M72 WeakPolarHBondContact O-CA 3.4Å; V69-M72 WeakPolarHBondContact O-CB 3.35Å; V69-M72 PolarHBondContact O-N 3.07Å; V69-E73 HydrophobicContact CG1-CG 4.35Å; V69-E73 WeakPolarHBondContact O-CG 3.28Å; V69-E73 PolarHBondContact O-N 3.37Å
70M96.9Very high92.9Very high130 Ų130106.5 Ų106.564%0.6453%0.531SS*.Hα-helixtrans-56.9-40.9178.9-71.2179.867.100112.2K66 E67 M72 E73 E74K66-M70 PolarHBondContact O-N 3.49Å; E67-M70 PolarHBondContact O-N 2.93Å; M70-M72 VanDerWaalsContact C-N 3.27Å; M70-M72 PolarHBondContact O-N 3.18Å; M70-E73 PolarHBondContact O-N 2.92Å; M70-E74 WeakPolarHBondContact O-CB 3.45Å; M70-E74 PolarHBondContact O-N 2.88Å
71K97.7Very high94.7Very high98 Ų98105.1 Ų105.143%0.42652%0.523SS..Hα-helixtrans-68.7-21.2177-170.4178.9-125.8145.40113.4E67 V69 K75E67-K71 WeakPolarHBondContact O-CB 3.46Å; E67-K71 PolarHBondContact O-N 3.06Å; E67-K71 IonicContact OE1-NZ 3.97Å; E67-K71 PolarHBondContact OE1-NZ 3.26Å; V69-K71 VanDerWaalsContact C-N 3.27Å; V69-K71 PolarHBondContact O-N 3.13Å; K71-K75 WeakPolarHBondContact O-CD 3.47Å; K71-K75 VanDerWaalsContact O-CG 3.27Å; K71-K75 WeakPolarHBondContact O-CG 3.4Å
72M97.8Very high95.5Very high127 Ų127107.6 Ų107.663%0.62653%0.527SS*.Hα-helixtrans-86-35.5170.1-74.8-17662.300112.1Q68 V69 M70 K75 L76Q68-M72 WeakPolarHBondContact O-CG 3.38Å; Q68-M72 PolarHBondContact O-N 3.27Å; Q68-M72 VanDerWaalsContact O-N 3.11Å; V69-M72 WeakPolarHBondContact O-CA 3.4Å; V69-M72 WeakPolarHBondContact O-CB 3.35Å; V69-M72 PolarHBondContact O-N 3.07Å; M70-M72 VanDerWaalsContact C-N 3.27Å; M70-M72 PolarHBondContact O-N 3.18Å; M72-K75 PolarHBondContact O-N 3.43Å; M72-L76 WeakPolarHBondContact O-CB 3.43Å; M72-L76 PolarHBondContact O-N 3.48Å
73E96.8Very high96Very high118 Ų118110.4 Ų110.455%0.55154%0.536SS*.Hα-helixtrans-64.5-45173.8-68.6176.3149.900111.5V69 M70 K75 L76 Q77V69-E73 HydrophobicContact CG1-CG 4.35Å; V69-E73 WeakPolarHBondContact O-CG 3.28Å; V69-E73 PolarHBondContact O-N 3.37Å; M70-E73 PolarHBondContact O-N 2.92Å; E73-K75 PolarHBondContact O-N 2.79Å; E73-L76 WeakPolarHBondContact O-CB 3.5Å; E73-L76 PolarHBondContact O-N 3.42Å; E73-Q77 PolarHBondContact O-N 3.18Å
74E97.6Very high96.7Very high143 Ų143110.8 Ų110.867%0.66854%0.537SS*.Hα-helixtrans-58.2-47.4174.2-177.6-176.3-145.500111.8M70 L76 Q77 G78M70-E74 WeakPolarHBondContact O-CB 3.45Å; M70-E74 PolarHBondContact O-N 2.88Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.36Å; E74-Q77 PolarHBondContact O-N 3.38Å; E74-G78 PolarHBondContact O-N 2.8Å
75K98.2Very high97.1Very high135 Ų135110.7 Ų110.759%0.58754%0.537SS*.Hα-helixtrans-61.9-39.4175.2-76.2176.3-178.9-177.70112.5K71 M72 E73 G78 L79K71-K75 WeakPolarHBondContact O-CD 3.47Å; K71-K75 VanDerWaalsContact O-CG 3.27Å; K71-K75 WeakPolarHBondContact O-CG 3.4Å; M72-K75 PolarHBondContact O-N 3.43Å; E73-K75 PolarHBondContact O-N 2.79Å; K75-G78 PolarHBondContact O-N 3.11Å; K75-L79 WeakPolarHBondContact O-CB 3.31Å; K75-L79 WeakPolarHBondContact O-CG 3.17Å; K75-L79 PolarHBondContact O-N 3.24Å
76L98.4Very high97.5Very high102 Ų102112.5 Ų112.553%0.53454%0.543SS..Hα-helixtrans-66.2-39177.4178.360.8000111.3M72 E73 E74 Q80M72-L76 WeakPolarHBondContact O-CB 3.43Å; M72-L76 PolarHBondContact O-N 3.48Å; E73-L76 WeakPolarHBondContact O-CB 3.5Å; E73-L76 PolarHBondContact O-N 3.42Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.36Å; L76-Q80 VanDerWaalsContact O-CG 3.3Å; L76-Q80 WeakPolarHBondContact O-CG 3.49Å; L76-Q80 PolarHBondContact O-N 3.18Å; L76-Q80 VanDerWaalsContact O-N 3.12Å
77Q98.3Very high97.7Very high117 Ų117113.9 Ų113.955%0.54755%0.549SS..Hα-helixtrans-63.9-50.6172.9-178.2179.9-28.700111.1E73 E74 L79 Q80 E81E73-Q77 PolarHBondContact O-N 3.18Å; E74-Q77 PolarHBondContact O-N 3.38Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.34Å; Q77-Q80 WeakPolarHBondContact O-CA 3.31Å; Q77-Q80 WeakPolarHBondContact O-CB 3.08Å; Q77-Q80 PolarHBondContact O-N 3.2Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.42Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 PolarHBondContact O-N 3.11Å
78G98Very high97.9Very high32 Ų32112.4 Ų112.433%0.3355%0.545SS..Hα-helixtrans-55.5-45178.600000112.8E74 K75 Q80 E81 E82E74-G78 PolarHBondContact O-N 2.8Å; K75-G78 PolarHBondContact O-N 3.11Å; G78-Q80 VanDerWaalsContact C-N 3.32Å; G78-Q80 PolarHBondContact O-N 3.41Å; G78-E81 PolarHBondContact O-N 3.47Å; G78-E82 PolarHBondContact O-N 3.24Å
79L98.5Very high98Very high108 Ų108112 Ų11257%0.56554%0.543SS*.Hα-helixtrans-65.4-31.2175.4-71.7170.5000113.3K75 Q77 K83K75-L79 WeakPolarHBondContact O-CB 3.31Å; K75-L79 WeakPolarHBondContact O-CG 3.17Å; K75-L79 PolarHBondContact O-N 3.24Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.34Å; L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 PolarHBondContact O-N 3.26Å
80Q98.3Very high98.1Very high116 Ų116113.2 Ų113.254%0.54255%0.546SS..Hα-helixtrans-70.6-37.9172.7-74.5179.445.500112L76 Q77 G78 H84L76-Q80 VanDerWaalsContact O-CG 3.3Å; L76-Q80 WeakPolarHBondContact O-CG 3.49Å; L76-Q80 PolarHBondContact O-N 3.18Å; L76-Q80 VanDerWaalsContact O-N 3.12Å; Q77-Q80 WeakPolarHBondContact O-CA 3.31Å; Q77-Q80 WeakPolarHBondContact O-CB 3.08Å; Q77-Q80 PolarHBondContact O-N 3.2Å; G78-Q80 VanDerWaalsContact C-N 3.32Å; G78-Q80 PolarHBondContact O-N 3.41Å; Q80-H84 WeakPolarHBondContact O-CB 3.46Å; Q80-H84 PolarHBondContact O-N 3.25Å
81E98.1Very high98.2Very high102 Ų102113.5 Ų113.548%0.47754%0.544SS..Hα-helixtrans-68.8-43.9175.9-70.2-179.6-157.100112Q77 G78 H84 Q85Q77-E81 WeakPolarHBondContact CG-OE1 3.42Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 PolarHBondContact O-N 3.11Å; G78-E81 PolarHBondContact O-N 3.47Å; E81-H84 CarbonylContact O-C 3.58Å; E81-H84 WeakPolarHBondContact O-CA 3.22Å; E81-H84 WeakPolarHBondContact O-CB 3.41Å; E81-H84 PolarHBondContact O-N 3Å; E81-H84 VanDerWaalsContact O-N 3.11Å; E81-Q85 PolarHBondContact O-N 3.42Å
82E97.9Very high98.2Very high117 Ų117114.8 Ų114.855%0.54755%0.549SS..Hα-helixtrans-58.8-47.6171.4-74.4-173.8162.600111.4G78 H84 Q85 L86G78-E82 PolarHBondContact O-N 3.24Å; E82-H84 PolarHBondContact O-N 2.96Å; E82-Q85 PolarHBondContact O-N 3.36Å; E82-Q85 VanDerWaalsContact O-N 3.11Å; E82-L86 WeakPolarHBondContact O-CG 3.41Å; E82-L86 PolarHBondContact O-N 2.91Å
83K98.4Very high98.3Very high155 Ų155112.6 Ų112.667%0.67454%0.543SS*.Hα-helixtrans-61.6-28.4175.5177.1-95.4-176.9170.50112.4L79 F87L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 PolarHBondContact O-N 3.26Å; K83-F87 WeakPolarHBondContact O-CB 3.48Å; K83-F87 PolarHBondContact O-N 2.94Å
84H98.6Very high98.3Very high108 Ų108112 Ų11250%0.554%0.543SS..Hα-helixtrans-74.6-44.7171.2-172.974.1000111.9Q80 E81 E82 L86 F87 L88Q80-H84 WeakPolarHBondContact O-CB 3.46Å; Q80-H84 PolarHBondContact O-N 3.25Å; E81-H84 CarbonylContact O-C 3.58Å; E81-H84 WeakPolarHBondContact O-CA 3.22Å; E81-H84 WeakPolarHBondContact O-CB 3.41Å; E81-H84 PolarHBondContact O-N 3Å; E81-H84 VanDerWaalsContact O-N 3.11Å; E82-H84 PolarHBondContact O-N 2.96Å; H84-L86 PolarHBondContact O-N 2.89Å; H84-F87 WeakPolarHBondContact O-CB 3.38Å; H84-F87 PolarHBondContact O-N 3.5Å; H84-L88 WeakPolarHBondContact O-CG 3.36Å; H84-L88 PolarHBondContact O-N 3.13Å
85Q98.6Very high98.3Very high138 Ų138111.5 Ų111.565%0.64554%0.54SS*.Hα-helixtrans-58.4-46.8174.9-73.9-163.640.800112E81 E82 F87 L88 Q89E81-Q85 PolarHBondContact O-N 3.42Å; E82-Q85 PolarHBondContact O-N 3.36Å; E82-Q85 VanDerWaalsContact O-N 3.11Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 3.46Å; Q85-L88 CarbonylContact O-C 3.59Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.44Å; Q85-L88 VanDerWaalsContact O-N 3.1Å; Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 PolarHBondContact O-N 2.9Å
86L98.6Very high98.2Very high109 Ų109109.8 Ų109.857%0.57153%0.534SS*.Hα-helixtrans-61.4-36.9177.7-69.3172.2000111.9E82 H84 Q89 L90E82-L86 WeakPolarHBondContact O-CG 3.41Å; E82-L86 PolarHBondContact O-N 2.91Å; H84-L86 PolarHBondContact O-N 2.89Å; L86-Q89 PolarHBondContact O-N 3.5Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 PolarHBondContact O-N 3.02Å
87F98.7Very high98Very high123 Ų123109 Ų10954%0.53953%0.528SS..Hα-helixtrans-65.7-40.7172.9178.3-98.4000112.4K83 H84 Q85 K91K83-F87 WeakPolarHBondContact O-CB 3.48Å; K83-F87 PolarHBondContact O-N 2.94Å; H84-F87 WeakPolarHBondContact O-CB 3.38Å; H84-F87 PolarHBondContact O-N 3.5Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 3.46Å; F87-K91 VanDerWaalsContact O-CB 3.31Å; F87-K91 WeakPolarHBondContact O-CB 3.38Å; F87-K91 PolarHBondContact O-N 3.1Å
88L98.7Very high97.9Very high81 Ų81106.1 Ų106.142%0.42452%0.515SS..Hα-helixtrans-66.4-39173.9-67.3179.9000112.2H84 Q85 K91 K92H84-L88 WeakPolarHBondContact O-CG 3.36Å; H84-L88 PolarHBondContact O-N 3.13Å; Q85-L88 CarbonylContact O-C 3.59Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.44Å; Q85-L88 VanDerWaalsContact O-N 3.1Å; L88-K91 PolarHBondContact O-N 3.38Å; L88-K92 PolarHBondContact O-N 2.96Å
89Q98.3Very high97.7Very high120 Ų120111.9 Ų111.956%0.56153%0.531SS*.Hα-helixtrans-64.2-46.9176-169.8-178.225.500111.1Q85 L86 K91 K92 V93Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 PolarHBondContact O-N 2.9Å; L86-Q89 PolarHBondContact O-N 3.5Å; Q89-K91 VanDerWaalsContact C-N 3.35Å; Q89-K91 PolarHBondContact O-N 3.37Å; Q89-K92 WeakPolarHBondContact O-CB 3.45Å; Q89-K92 PolarHBondContact O-N 3.09Å; Q89-K92 VanDerWaalsContact O-N 3.14Å; Q89-V93 WeakPolarHBondContact O-CG2 3.43Å; Q89-V93 PolarHBondContact O-N 3Å
90L98.3Very high97.6Very high99 Ų99112.4 Ų112.452%0.51853%0.525SS..Hα-helixtrans-59.3-44.7173.8178.560.7000111.5L86 K92 V93 L94L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 PolarHBondContact O-N 3.02Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.17Å; L90-V93 PolarHBondContact O-N 2.92Å; L90-L94 HydrophobicContact CD1-CD1 4.12Å; L90-L94 HydrophobicContact CD1-CG 4.11Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 HydrophobicContact CG-CG 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.36Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 3.49Å
91K98.4Very high97.3Very high136 Ų136113.2 Ų113.259%0.59152%0.523SS*.Hα-helixtrans-59.1-37.8174.9-178.2-178176.8-1760112.2F87 L88 Q89 H95F87-K91 VanDerWaalsContact O-CB 3.31Å; F87-K91 WeakPolarHBondContact O-CB 3.38Å; F87-K91 PolarHBondContact O-N 3.1Å; L88-K91 PolarHBondContact O-N 3.38Å; Q89-K91 VanDerWaalsContact C-N 3.35Å; Q89-K91 PolarHBondContact O-N 3.37Å; K91-H95 PolarHBondContact O-N 2.96Å
92K98.3Very high97Very high124 Ų124116 Ų11654%0.53953%0.53SS..Hα-helixtrans-65.7-51.7174.4-170.2-163176.4-1330111.3L88 Q89 L90 L94 H95 E96L88-K92 PolarHBondContact O-N 2.96Å; Q89-K92 WeakPolarHBondContact O-CB 3.45Å; Q89-K92 PolarHBondContact O-N 3.09Å; Q89-K92 VanDerWaalsContact O-N 3.14Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.17Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.29Å; K92-H95 WeakPolarHBondContact O-CB 3.25Å; K92-H95 PolarHBondContact O-N 3.48Å; K92-E96 WeakPolarHBondContact CE-OE1 3.24Å; K92-E96 IonicContact NZ-OE1 3.68Å; K92-E96 PolarHBondContact NZ-OE1 3.45Å; K92-E96 IonicContact NZ-OE2 2.76Å; K92-E96 PolarHBondContact NZ-OE2 3.31Å; K92-E96 PolarHBondContact O-N 2.96Å
93V98.2Very high96.6Very high81 Ų81116.5 Ų116.549%0.49153%0.53SS..Hα-helixtrans-59.3-43.9-179.3172.30000111Q89 L90 H95 E96 E97Q89-V93 WeakPolarHBondContact O-CG2 3.43Å; Q89-V93 PolarHBondContact O-N 3Å; L90-V93 PolarHBondContact O-N 2.92Å; V93-H95 VanDerWaalsContact C-N 3.28Å; V93-H95 PolarHBondContact O-N 3.4Å; V93-E96 PolarHBondContact O-N 3.38Å; V93-E97 VanDerWaalsContact O-CB 3.29Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 PolarHBondContact O-N 2.95Å
94L97.9Very high95.8Very high105 Ų105113 Ų11355%0.5552%0.516SS..Hα-helixtrans-62.2-32.5175.5-70.6172.8000112.9L90 K92 E98L90-L94 HydrophobicContact CD1-CD1 4.12Å; L90-L94 HydrophobicContact CD1-CG 4.11Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 HydrophobicContact CG-CG 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.36Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 3.49Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.29Å; L94-E98 WeakPolarHBondContact O-CB 3.25Å; L94-E98 PolarHBondContact O-N 3.35Å
95H97.4Very high95.1Very high133 Ų133113.4 Ų113.462%0.61652%0.518SS*.Hα-helixtrans-74.3-39.4175.9-172.682.1000112.6K91 K92 V93 K99K91-H95 PolarHBondContact O-N 2.96Å; K92-H95 WeakPolarHBondContact O-CB 3.25Å; K92-H95 PolarHBondContact O-N 3.48Å; V93-H95 VanDerWaalsContact C-N 3.28Å; V93-H95 PolarHBondContact O-N 3.4Å; H95-K99 WeakPolarHBondContact O-CB 3.4Å; H95-K99 PolarHBondContact O-N 3.11Å
96E96.6Very high94.2Very high99 Ų99109.5 Ų109.546%0.46351%0.506SS..Hα-helixtrans-66-40.6174.1-70.9176.9162.800110.9K92 V93 K99 R100K92-E96 WeakPolarHBondContact CE-OE1 3.24Å; K92-E96 IonicContact NZ-OE1 3.68Å; K92-E96 PolarHBondContact NZ-OE1 3.45Å; K92-E96 IonicContact NZ-OE2 2.76Å; K92-E96 PolarHBondContact NZ-OE2 3.31Å; K92-E96 PolarHBondContact O-N 2.96Å; V93-E96 PolarHBondContact O-N 3.38Å; E96-K99 WeakPolarHBondContact O-CB 3.15Å; E96-K99 PolarHBondContact O-N 3.26Å; E96-R100 PolarHBondContact O-N 2.99Å
97E94.6Very high93.1Very high85 Ų85107.1 Ų107.140%0.39749%0.494SS..Hα-helixtrans-66.8-43.9175.7179.765.6173.400112.8V93 K99 R100 R101V93-E97 VanDerWaalsContact O-CB 3.29Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 PolarHBondContact O-N 2.95Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 2.88Å; E97-R100 PolarHBondContact O-N 3.02Å; E97-R100 IonicContact OE1-CZ 2.95Å; E97-R100 IonicContact OE1-NE 2.85Å; E97-R100 IonicContact OE1-NH2 3.47Å; E97-R100 PolarHBondContact OE1-NH2 2.65Å; E97-R100 IonicContact OE2-CZ 3.02Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.68Å; E97-R100 PolarHBondContact OE2-NE 3.33Å; E97-R100 IonicContact OE2-NH2 3.63Å; E97-R100 PolarHBondContact OE2-NH2 3.02Å; E97-R101 WeakPolarHBondContact O-CB 3.35Å; E97-R101 PolarHBondContact O-N 3.05Å
98E94.7Very high92Very high58 Ų58106.1 Ų106.127%0.27149%0.493SS..Hα-helixtrans-59.6-37.7172.8177.966.6-120.900111.6L94 R101 R102L94-E98 WeakPolarHBondContact O-CB 3.25Å; L94-E98 PolarHBondContact O-N 3.35Å; E98-R101 IonicContact OE1-CZ 2.7Å; E98-R101 IonicContact OE1-NE 3.85Å; E98-R101 IonicContact OE1-NH2 3.72Å; E98-R101 PolarHBondContact OE1-NH2 3.39Å; E98-R101 IonicContact OE2-CZ 3.93Å; E98-R101 IonicContact OE2-NH1 2.72Å; E98-R101 IonicContact OE2-NH2 3.94Å; E98-R101 PolarHBondContact OE2-NH2 3.07Å; E98-R102 PolarHBondContact O-N 3.42Å; E98-R102 IonicContact OE1-CZ 2.66Å; E98-R102 IonicContact OE1-NH1 3.64Å; E98-R102 IonicContact OE1-NH2 2.93Å
99K95.3Very high90.9Very high153 Ų153106.2 Ų106.267%0.66550%0.497SS*.Hα-helixtrans-69.8-41.6176.1-172.5178.2178.9-178.10111.9H95 E96 E97 K103H95-K99 WeakPolarHBondContact O-CB 3.4Å; H95-K99 PolarHBondContact O-N 3.11Å; E96-K99 WeakPolarHBondContact O-CB 3.15Å; E96-K99 PolarHBondContact O-N 3.26Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 2.88Å; K99-K103 PolarHBondContact O-N 3.11Å
100R95.1Very high89.7Confident118 Ų118104.5 Ų104.545%0.44550%0.495SS..Hα-helixtrans-59.9-52.5173.2-176.6-179.672.590.2-4.6111E96 E97 R102 K103 E104E96-R100 PolarHBondContact O-N 2.99Å; E97-R100 PolarHBondContact O-N 3.02Å; E97-R100 IonicContact OE1-CZ 2.95Å; E97-R100 IonicContact OE1-NE 2.85Å; E97-R100 IonicContact OE1-NH2 3.47Å; E97-R100 PolarHBondContact OE1-NH2 2.65Å; E97-R100 IonicContact OE2-CZ 3.02Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.68Å; E97-R100 PolarHBondContact OE2-NE 3.33Å; E97-R100 IonicContact OE2-NH2 3.63Å; E97-R100 PolarHBondContact OE2-NH2 3.02Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 2.89Å; R100-K103 WeakPolarHBondContact O-CA 3.17Å; R100-K103 WeakPolarHBondContact O-CB 3.29Å; R100-K103 PolarHBondContact O-N 3.24Å; R100-E104 VanDerWaalsContact CG-OE1 3.25Å; R100-E104 WeakPolarHBondContact CG-OE1 3.36Å; R100-E104 IonicContact CZ-OE1 2.8Å; R100-E104 IonicContact CZ-OE2 3.43Å; R100-E104 IonicContact NE-OE1 2.65Å; R100-E104 IonicContact NH1-OE1 3.02Å; R100-E104 PolarHBondContact NH1-OE1 2.92Å; R100-E104 IonicContact NH1-OE2 2.8Å; R100-E104 PolarHBondContact NH1-OE2 3.3Å; R100-E104 PolarHBondContact O-N 2.89Å
101R93.4Very high88.3Confident134 Ų134105.8 Ų105.851%0.50650%0.501SS..Hα-helixtrans-58.3-40.9179.6-169.1-17570.1-161.8-2.2112.5E97 E98 K103 E104 Q105E97-R101 WeakPolarHBondContact O-CB 3.35Å; E97-R101 PolarHBondContact O-N 3.05Å; E98-R101 IonicContact OE1-CZ 2.7Å; E98-R101 IonicContact OE1-NE 3.85Å; E98-R101 IonicContact OE1-NH2 3.72Å; E98-R101 PolarHBondContact OE1-NH2 3.39Å; E98-R101 IonicContact OE2-CZ 3.93Å; E98-R101 IonicContact OE2-NH1 2.72Å; E98-R101 IonicContact OE2-NH2 3.94Å; E98-R101 PolarHBondContact OE2-NH2 3.07Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 2.95Å; R101-E104 PolarHBondContact O-N 3.47Å; R101-Q105 WeakPolarHBondContact O-CB 3.23Å; R101-Q105 PolarHBondContact O-N 2.88Å
102R91.7Very high86.7Confident161 Ų161102.7 Ų102.761%0.60849%0.494SS*.Hα-helixtrans-61.9-39173.7-82-155.8-169.683.2-0.1112.9E98 R100 Q105 S106E98-R102 PolarHBondContact O-N 3.42Å; E98-R102 IonicContact OE1-CZ 2.66Å; E98-R102 IonicContact OE1-NH1 3.64Å; E98-R102 IonicContact OE1-NH2 2.93Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 2.89Å; R102-Q105 PolarHBondContact O-N 3.27Å; R102-S106 PolarHBondContact O-N 2.95Å; R102-S106 PolarHBondContact O-OG 3.43Å
103K88.7Confident84.8Confident126 Ų126100.7 Ų100.755%0.54850%0.496SS..Hα-helixtrans-66-45.7176.4-163.3-169.9177.2-84.20111K99 R100 R101 Q105 S106 D107K99-K103 PolarHBondContact O-N 3.11Å; R100-K103 WeakPolarHBondContact O-CA 3.17Å; R100-K103 WeakPolarHBondContact O-CB 3.29Å; R100-K103 PolarHBondContact O-N 3.24Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 2.95Å; K103-Q105 VanDerWaalsContact C-N 3.27Å; K103-Q105 PolarHBondContact O-N 2.89Å; K103-S106 WeakPolarHBondContact CA-OG 3.49Å; K103-S106 PolarHBondContact O-N 3.23Å; K103-S106 VanDerWaalsContact O-N 3.17Å; K103-S106 PolarHBondContact O-OG 2.85Å; K103-D107 IonicContact NZ-OD1 3.16Å; K103-D107 IonicContact NZ-OD2 3.68Å; K103-D107 PolarHBondContact NZ-OD2 2.89Å; K103-D107 WeakPolarHBondContact O-CB 3.45Å; K103-D107 PolarHBondContact O-N 3.32Å
104E82.3Confident82.9Confident81 Ų81100.8 Ų100.838%0.37951%0.505SS..Hα-helixtrans-60.5-38.2175.8-72.3164.7-168.400111.7R100 R101 D107 I108R100-E104 VanDerWaalsContact CG-OE1 3.25Å; R100-E104 WeakPolarHBondContact CG-OE1 3.36Å; R100-E104 IonicContact CZ-OE1 2.8Å; R100-E104 IonicContact CZ-OE2 3.43Å; R100-E104 IonicContact NE-OE1 2.65Å; R100-E104 IonicContact NH1-OE1 3.02Å; R100-E104 PolarHBondContact NH1-OE1 2.92Å; R100-E104 IonicContact NH1-OE2 2.8Å; R100-E104 PolarHBondContact NH1-OE2 3.3Å; R100-E104 PolarHBondContact O-N 2.89Å; R101-E104 PolarHBondContact O-N 3.47Å; E104-D107 PolarHBondContact O-N 3.46Å; E104-I108 WeakPolarHBondContact O-CB 3.28Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.47Å; E104-I108 PolarHBondContact O-N 3.38Å
105Q82.8Confident80.6Confident118 Ų118100.4 Ų100.455%0.55151%0.511SS*.Hα-helixtrans-65.8-39.8174.5-161.975.676.900113R101 R102 K103 T109R101-Q105 WeakPolarHBondContact O-CB 3.23Å; R101-Q105 PolarHBondContact O-N 2.88Å; R102-Q105 PolarHBondContact O-N 3.27Å; K103-Q105 VanDerWaalsContact C-N 3.27Å; K103-Q105 PolarHBondContact O-N 2.89Å; Q105-T109 WeakPolarHBondContact O-CB 3.48Å; Q105-T109 PolarHBondContact O-N 2.91Å; Q105-T109 VanDerWaalsContact O-N 3.13Å; Q105-T109 PolarHBondContact O-OG1 3.04Å
106S79.6Confident77.9Confident55 Ų55102.4 Ų102.439%0.38552%0.515SS..Hα-helixtrans-71.2-38.2174.557.20000112.2R102 K103 T109 T110R102-S106 PolarHBondContact O-N 2.95Å; R102-S106 PolarHBondContact O-OG 3.43Å; K103-S106 WeakPolarHBondContact CA-OG 3.49Å; K103-S106 PolarHBondContact O-N 3.23Å; K103-S106 VanDerWaalsContact O-N 3.17Å; K103-S106 PolarHBondContact O-OG 2.85Å; S106-T109 PolarHBondContact O-N 2.9Å; S106-T110 VanDerWaalsContact O-CB 3.32Å; S106-T110 WeakPolarHBondContact O-CB 3.48Å; S106-T110 PolarHBondContact O-N 3.03Å; S106-T110 PolarHBondContact O-OG1 3.39Å
107D76.7Confident75.2Confident60 Ų60105 Ų10532%0.32153%0.526SS..Hα-helixtrans-68.5-43.4-179.2-65.7-4.6000110K103 E104 T110 L111K103-D107 IonicContact NZ-OD1 3.16Å; K103-D107 IonicContact NZ-OD2 3.68Å; K103-D107 PolarHBondContact NZ-OD2 2.89Å; K103-D107 WeakPolarHBondContact O-CB 3.45Å; K103-D107 PolarHBondContact O-N 3.32Å; E104-D107 PolarHBondContact O-N 3.46Å; D107-T110 PolarHBondContact O-N 2.92Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.25Å; D107-L111 PolarHBondContact O-N 3.25Å
108I75.2Confident72.9Confident101 Ų101107 Ų10752%0.51855%0.547SS..Hα-helixtrans-61-45.2171.9-72.1168.8000111.6E104 T110 T112E104-I108 WeakPolarHBondContact O-CB 3.28Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.47Å; E104-I108 PolarHBondContact O-N 3.38Å; I108-T110 VanDerWaalsContact C-N 3.31Å; I108-T110 PolarHBondContact O-N 2.9Å; I108-T112 VanDerWaalsContact O-CB 3.32Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 PolarHBondContact O-N 2.93Å; I108-T112 PolarHBondContact O-OG1 3.43Å
109T75.4Confident70.5Confident83 Ų83108.3 Ų108.351%0.50956%0.562SS.*Hα-helixtrans-59.9-42.6176.8-650000111.3Q105 S106 T112 S113Q105-T109 WeakPolarHBondContact O-CB 3.48Å; Q105-T109 PolarHBondContact O-N 2.91Å; Q105-T109 VanDerWaalsContact O-N 3.13Å; Q105-T109 PolarHBondContact O-OG1 3.04Å; S106-T109 PolarHBondContact O-N 2.9Å; T109-T112 PolarHBondContact O-N 2.93Å; T109-S113 PolarHBondContact O-N 3.32Å; T109-S113 PolarHBondContact O-OG 2.85Å
110T73.3Confident68Low84 Ų84108.2 Ų108.252%0.51557%0.568SS.*Hα-helixtrans-73.6-39.4-177-54.20000112.1S106 D107 I108 T112 S113 A114S106-T110 VanDerWaalsContact O-CB 3.32Å; S106-T110 WeakPolarHBondContact O-CB 3.48Å; S106-T110 PolarHBondContact O-N 3.03Å; S106-T110 PolarHBondContact O-OG1 3.39Å; D107-T110 PolarHBondContact O-N 2.92Å; I108-T110 VanDerWaalsContact C-N 3.31Å; I108-T110 PolarHBondContact O-N 2.9Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-S113 PolarHBondContact O-OG 2.83Å; T110-A114 VanDerWaalsContact O-CB 3.23Å; T110-A114 WeakPolarHBondContact O-CB 3.34Å; T110-A114 PolarHBondContact O-N 2.66Å
111L69.6Low66Low126 Ų126107.9 Ų107.966%0.6658%0.584SS**Hα-helixtrans-67.4-36.8173.5-71.1169.6000111.5D107 S115D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.25Å; D107-L111 PolarHBondContact O-N 3.25Å; L111-S115 WeakPolarHBondContact O-CB 3.32Å; L111-S115 PolarHBondContact O-N 2.93Å
112T63.4Low63.6Low72 Ų72108.8 Ų108.844%0.44260%0.596SS.*Hα-helixtrans-65.8-47.6174.7-54.40000110.9I108 T109 T110 A114 S115 Y116I108-T112 VanDerWaalsContact O-CB 3.32Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 PolarHBondContact O-N 2.93Å; I108-T112 PolarHBondContact O-OG1 3.43Å; T109-T112 PolarHBondContact O-N 2.93Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T112-A114 VanDerWaalsContact C-N 3.35Å; T112-A114 PolarHBondContact O-N 3.33Å; T112-S115 PolarHBondContact O-N 2.89Å; T112-S115 VanDerWaalsContact O-N 3.14Å; T112-Y116 HydrophobicContact CG2-CD2 4.42Å; T112-Y116 HydrophobicContact CG2-CE2 4.15Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å
113S58.3Low61.3Low82 Ų82107.7 Ų107.757%0.57360%0.598SS**Hα-helixtrans-68.4-31.1178.861.90000113.3T109 T110 S115T109-S113 PolarHBondContact O-N 3.32Å; T109-S113 PolarHBondContact O-OG 2.85Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-S113 PolarHBondContact O-OG 2.83Å; S113-S115 VanDerWaalsContact C-N 3.31Å
114A58.4Low59.6Low83 Ų83108.6 Ų108.669%0.68661%0.614SS**Hα-helixtrans-71.7-22.1171.500000113.6T110 T112T110-A114 VanDerWaalsContact O-CB 3.23Å; T110-A114 WeakPolarHBondContact O-CB 3.34Å; T110-A114 PolarHBondContact O-N 2.66Å; T112-A114 VanDerWaalsContact C-N 3.35Å; T112-A114 PolarHBondContact O-N 3.33Å
115S49.3Very low57.9Low97 Ų97107 Ų10768%0.67862%0.62SS**Hα-helixtrans-82.9-13-179.3-1720000114.3L111 T112 S113L111-S115 WeakPolarHBondContact O-CB 3.32Å; L111-S115 PolarHBondContact O-N 2.93Å; T112-S115 PolarHBondContact O-N 2.89Å; T112-S115 VanDerWaalsContact O-N 3.14Å; S113-S115 VanDerWaalsContact C-N 3.31Å
116Y41.4Very low56.2Low175 Ų175108.6 Ų108.669%0.68663%0.627SS**  trans-94.5102.8-178.7-87-80.2000112.4T112T112-Y116 HydrophobicContact CG2-CD2 4.42Å; T112-Y116 HydrophobicContact CG2-CE2 4.15Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å
117Q40.1Very low54.5Low152 Ų152114.7 Ų114.771%0.7165%0.649SS**  trans-63134.6144.3-76.2-65.5-48.500108.4S119Q117-S119 PolarHBondContact O-N 3.44Å
118P46.4Very low53.2Low127 Ų127118.4 Ų118.483%0.82567%0.668SS**SBendtrans-79.356.9-177.133.7-36.6000111.7
119S44.9Very low52.1Low86 Ų86121.5 Ų121.560%0.60169%0.685SS**  trans-137.275.3-174.162.70000112.3Q117Q117-S119 PolarHBondContact O-N 3.44Å
120L42.2Very low50.6Low151 Ų151122.8 Ų122.879%0.79170%0.698SS**  169.6119.4122.5-89.4170.1000110.5M122L120-M122 HydrophobicContact CB-CG 4.36Å; L120-M122 PolarHBondContact O-N 3.11Å
121S53.5Low49.3Very low112 Ų112125.8 Ų125.878%0.78371%0.709SS**  trans-76105167.451.40000109.8
122M42.9Very low48.4Very low153 Ų153126.2 Ų126.275%0.75472%0.719SS**  trans-121.4107.5-178.3-83.2-73.1101.900114.1L120L120-M122 HydrophobicContact CB-CG 4.36Å; L120-M122 PolarHBondContact O-N 3.11Å
123H43.4Very low47Very low138 Ų138126.4 Ų126.464%0.63974%0.735SS**  trans67.1103.5141.9-162.7-92.6000120G125H123-G125 PolarHBondContact CE1-O 2.86Å; H123-G125 PolarHBondContact ND1-N 2.94Å
124T52Low46Very low144 Ų144128.1 Ų128.188%0.88375%0.747SS**  trans-78.2108.7155.950.10000110.7
125G46.6Very low45.8Very low49 Ų49129.3 Ų129.351%0.50575%0.748SS.*  trans163134.6166.100000117.8H123H123-G125 PolarHBondContact CE1-O 2.86Å; H123-G125 PolarHBondContact ND1-N 2.94Å
126Q46.9Very low45.7Very low151 Ų151131.4 Ų131.471%0.70676%0.756SS**  trans9112.1140.2-84-88.410.900118.1
127H43.7Very low45.5Very low182 Ų182128 Ų12884%0.84376%0.759SS**  trans-140.8146.9137.8-82.1-65.8000109.8
128L50.2Low45.6Very low139 Ų139130.5 Ų130.573%0.72877%0.769SS**  trans-96.2139.9-164-65.4161000112.5
129L51.9Low45.7Very low165 Ų165129.1 Ų129.186%0.86476%0.763SS**  trans-151.190.2155.8-110.4169.7000109.7
130S43.3Very low45.9Very low111 Ų111135.9 Ų135.978%0.77678%0.775SS**  trans-92.9114178.9-60.30000111
131I47Very low46.3Very low147 Ų147134.5 Ų134.575%0.75478%0.775SS**  trans-129.8123.7162.8-58-179.3000106.8G133I131-G133 PolarHBondContact O-N 2.98Å
132P50Low45.8Very low135 Ų135133.1 Ų133.188%0.87778%0.778SS**  trans-77.7117.5-169.629.3-33.9000112.2
133G35.1Very low45.8Very low76 Ų76130.3 Ų130.378%0.78478%0.78SS**  trans-149.181.317900000112.3I131I131-G133 PolarHBondContact O-N 2.98Å
134S37.4Very low45.9Very low117 Ų117132.1 Ų132.182%0.81879%0.793SS**  trans-78.7155166.8-154.30000109.2
135P54Low45.9Very low108 Ų108134 Ų13470%0.70180%0.797SS**  cis-137.1170.617.136.5-16000117.8
136V45.8Very low45.6Very low141 Ų141135 Ų13586%0.85581%0.807SS**  trans59.392151.9174.50000117.4
137S39Very low45.8Very low105 Ų105137 Ų13773%0.73482%0.817SS**  -161.2111.6125.8-171.50000110.6
138H41.9Very low45.9Very low203 Ų203140.2 Ų140.294%0.9482%0.821SS**  trans-127126.2171-77.7-26.3000110.8
139S47.8Very low45.6Very low98 Ų98138.2 Ų138.269%0.68582%0.819SS**  trans-121.6174.6176.658.70000109.2
140R49.6Very low45.3Very low229 Ų229139.1 Ų139.186%0.86482%0.816SS**  trans77.6162.7176.7-55173.9159.4-101.4-2.5115.9
141P49.5Very low45.6Very low122 Ų122142.3 Ų142.379%0.79282%0.819SS**  cis-118.2163.1-20.221.6-1.1000112.7
142G42.8Very low45.4Very low82 Ų82143.3 Ų143.385%0.84583%0.825SS**  trans-92.4123.4169.200000111.9
143A43.5Very low45.5Very low94 Ų94146 Ų14678%0.77782%0.822SS**  trans-160.5105.915700000110.2
144L46.6Very low46Very low177 Ų177148.7 Ų148.793%0.92783%0.826SS**  trans175.9130.1133.9-94.8175.8000109
145L50.7Low46.1Very low183 Ų183147.3 Ų147.396%0.95882%0.822SS**  trans-82.3122.1177.4-155.779.7000108.1
146G41.8Very low45.3Very low70 Ų70147.9 Ų147.972%0.72283%0.829SS**  trans-173.974.1-169.600000114.9R148G146-R148 PolarHBondContact O-N 2.76Å
147E49.4Very low45.1Very low194 Ų194147.7 Ų147.791%0.90783%0.827SS**  trans-1.8109.7157.4-174.5175.1-172.500117.9
148R46.7Very low45.5Very low248 Ų248149.4 Ų149.494%0.93683%0.827SS**  trans-153.4123.9151.7-120160.9-175.6-97.1-4.1112.9G146G146-R148 PolarHBondContact O-N 2.76Å
149S43Very low45.6Very low97 Ų97145.5 Ų145.568%0.67882%0.819SS**  trans-89.3133.7-175.6-134.50000112
150K47.5Very low45Very low185 Ų185147 Ų14780%0.80483%0.825SS**  trans72.7149.4150-59166.7-173.5179.30119.4
151Q48.8Very low44.5Very low178 Ų178147.2 Ų147.283%0.83283%0.825SS**  trans62.3103.6167.4-62.1-168.2-81.900119.6
152L42.8Very low43.9Very low168 Ų168149.5 Ų149.588%0.8883%0.825SS**  trans-135.167.4150.7-77.9-180000110.7
153F51.7Low43.5Very low190 Ų190156.5 Ų156.583%0.83383%0.828SS**  trans-146.8113.8163.1-76.6-65.3000109.6A155F153-A155 PolarHBondContact O-N 3.5Å
154P45.3Very low43.4Very low133 Ų133161 Ų16186%0.86483%0.833SS**  trans-80.498.7168.431.3-30.3000109.5
155A39.5Very low43Very low89 Ų89159 Ų15974%0.73683%0.828SS**PPolyproline II helixtrans-80.9134.8169.500000110.2F153 V157F153-A155 PolarHBondContact O-N 3.5Å; A155-V157 PolarHBondContact O-N 2.89Å
156S36.8Very low42.6Very low119 Ų119156.3 Ų156.383%0.83282%0.821SS**PPolyproline II helixtrans-61.5130.6-176.3-55.80000112.7
157V42.9Very low42.3Very low137 Ų137156.5 Ų156.583%0.8382%0.823SS**PPolyproline II helixtrans-84.7123.4177.4-173.60000110A155A155-V157 PolarHBondContact O-N 2.89Å
158I46.3Very low41.6Very low142 Ų142157.5 Ų157.573%0.72883%0.825SS**  trans-106.3132.3167.3-61.2177.7000107.9T160I158-T160 PolarHBondContact O-N 2.93Å
159P45.6Very low41.1Very low120 Ų120151 Ų15178%0.77982%0.818SS**  trans-71.8108.7179.4-17.831.9000112.5R161P159-R161 PolarHBondContact O-N 3.36Å
160T35.1Very low40.9Very low129 Ų129152.6 Ų152.679%0.79183%0.829SS**PPolyproline II helixtrans-69.3119.6171.7-56.90000110.7I158I158-T160 PolarHBondContact O-N 2.93Å
161R37.8Very low40.3Very low234 Ų234149.3 Ų149.388%0.88383%0.829SS**PPolyproline II helixtrans-91.8137.6165.7-126.9179-171.6-103.42.1109.8P159P159-R161 PolarHBondContact O-N 3.36Å
162H37.7Very low39.7Very low170 Ų170146.7 Ų146.779%0.78783%0.831SS**PPolyproline II helixtrans-72.5139.5-170.4-50.7-88.7000113.4
163Y35.2Very low39.5Very low230 Ų230142.7 Ų142.790%0.90282%0.822SS**  trans-129.8145150.1-86.7-86.3000108.8
164Q40.7Very low38.7Very low189 Ų189142.2 Ų142.288%0.88382%0.822SS**  trans-95.9144.2178.7-59.6179.417.600110.2
165T36.9Very low38.3Very low134 Ų134144.4 Ų144.482%0.82282%0.82SS**  trans-139137.3164.112.10000109.1
166P43.2Very low38Very low126 Ų126143.7 Ų143.782%0.81882%0.822SS**  trans-67.7139.7179.3-18.432.3000111.6
167G35.3Very low38Very low74 Ų74147.7 Ų147.776%0.76383%0.828SS**  trans-85.8152.2179.400000113.5
168F34.8Very low37.8Very low216 Ų216151.4 Ų151.495%0.94783%0.833SS**  trans-113.5114.6158.2-86-88.6000108.6
169S36.7Very low37.4Very low112 Ų112150.5 Ų150.578%0.78384%0.839SS**  trans-96.1129.3174.352.30000110.4
170S39.3Very low36.8Very low129 Ų129147.4 Ų147.490%0.90283%0.829SS**  trans-70.9132.6169.352.30000111.2
171S34.6Very low36.8Very low116 Ų116146.6 Ų146.681%0.81183%0.829SS**  trans-134.1161172.958.80000111.8
172S34.6Very low36.7Very low124 Ų124144.1 Ų144.187%0.86783%0.827SS**  trans-66.1175.9-166.8-155.30000115.7
173A39.3Very low36.6Very low84 Ų84138.9 Ų138.969%0.69482%0.819SS**  trans-87.8-172.1-175.400000114.7
174E34.7Very low36.5Very low179 Ų179134.1 Ų134.184%0.83681%0.814SS**  trans105.2129162.2-55.7-15999.400119.2
175H36.4Very low36.3Very low179 Ų179133.6 Ų133.683%0.82981%0.811SS**  trans47.395.1159.6-81.5-84.1000121
176G34.8Very low36.4Very low75 Ų75134.5 Ų134.577%0.77381%0.806SS**  trans-77.6-170.6171.100000117.6
177Q35.6Very low36.9Very low203 Ų203133.9 Ų133.995%0.94980%0.802SS**  trans-147.2164.5167.9-97.2-178.28.200110.4
178F38.7Very low36.9Very low215 Ų215140.6 Ų140.694%0.94381%0.806SS**  trans-107.6123-169.3-134.2-89.4000111.8
179S37.7Very low37Very low122 Ų122134.1 Ų134.185%0.85380%0.799SS**  trans-168.5147.8163.1-1620000109.5
180G33.9Very low37.2Very low55 Ų55135.3 Ų135.357%0.56780%0.802SS**  cis156.5104.2-7.300000113.3
181S35.2Very low37Very low113 Ų113133.9 Ų133.979%0.7980%0.798SS**  trans74.1136.1159.6840000120
182Q35.9Very low37.1Very low182 Ų182132.5 Ų132.585%0.8579%0.793SS**  trans51.8149.2147.7-49.8-67.2-13.100119.9
183G34.7Very low37.2Very low60 Ų60131.5 Ų131.562%0.61979%0.786SS**  cis150.11790.400000111.4
184V33Very low37.2Very low130 Ų130135.7 Ų135.779%0.78879%0.792SS**  trans79.4101.6160.6-173.60000119.7
185H36.7Very low37.1Very low177 Ų177134.9 Ų134.982%0.81979%0.787SS**  trans63.7118.5137.4-82.3-93.3000125.6
186E39.8Very low37.6Very low153 Ų153132.2 Ų132.272%0.71579%0.786SS**  trans-56.5151.2139.1-89.2-79.2141.100113.9
187P53.2Low37.7Very low114 Ų114133.7 Ų133.774%0.7478%0.784SS**  trans-132.6135.4137.636.2-24.1000114.6
188Y34.8Very low37.8Very low215 Ų215130.6 Ų130.684%0.84378%0.78SS**  trans-56139.1178.2-78-109000114.5
189G37.9Very low37.6Very low79 Ų79131.3 Ų131.381%0.81478%0.777SS**  trans-121101.7165.900000112.5
190V39.5Very low37.6Very low138 Ų138130 Ų13084%0.83677%0.774SS**  trans-105.2116.9174.8174.30000109.7
191A36.3Very low38.3Very low99 Ų99133.9 Ų133.982%0.81879%0.79SS**  trans-151125.2173.300000113.8
192A37Very low38.4Very low86 Ų86131.7 Ų131.771%0.71178%0.784SS**  trans26.7108.2153.200000120.3
193S35.5Very low38.8Very low103 Ų103129.4 Ų129.472%0.7279%0.786SS**  trans-71.4133.9146.6179.80000109.6
194Q39.2Very low39.1Very low173 Ų173132.2 Ų132.281%0.80880%0.796SS**  trans-121121.1167.6-70.1-169.5-0.700110
195H33.6Very low39.8Very low162 Ų162131.9 Ų131.975%0.7579%0.793SS**  trans-84.4150.5165.9-61.5-87.9000109.6
196P46.1Very low40.4Very low123 Ų123129.3 Ų129.380%0.79979%0.793SS**  -130.5134.311735.2-28.9000112.5
197S36.6Very low40.4Very low105 Ų105128.1 Ų128.173%0.73480%0.795SS**  trans-82.2137.7166.1-65.10000110.3
198T37.7Very low39.5Very low139 Ų139127.9 Ų127.985%0.85380%0.796SS**  trans-138.6132.9161.2-65.50000108.7
199Y36.3Very low39.5Very low229 Ų229127.2 Ų127.290%0.89880%0.799SS**  trans-87.6135.6-173.1-107.7-110.2000112.2
200A36.9Very low39.3Very low95 Ų95128.1 Ų128.179%0.78580%0.798SS**  trans-155.8135.1151.700000109.3
201P48.2Very low39.1Very low137 Ų137127.2 Ų127.289%0.8980%0.798SS**  trans-89.4143.7-173.933.7-34.2000113.8
202G37.6Very low39.1Very low66 Ų66126.9 Ų126.968%0.6879%0.79SS**  trans-147.6157170.700000110.5
203P45Very low39.3Very low135 Ų135128.2 Ų128.288%0.87779%0.794SS**PPolyproline II helixtrans-71.5140.8-162.327.2-35.1000114.3
204S40Very low39.7Very low119 Ų119131.1 Ų131.183%0.83280%0.796SS**PPolyproline II helixtrans-77.7123.5-178.153.70000113.1
205V48.6Very low40Very low122 Ų122130.2 Ų130.274%0.73980%0.795SS**PPolyproline II helixtrans-96.7144.5161.5-76.20000110.6V207V205-V207 PolarHBondContact O-N 3.49Å
206P49.6Very low40.4Very low124 Ų124133.6 Ų133.681%0.80580%0.801SS**PPolyproline II helixtrans-73.8118.3-177.728.9-33.8000111.7S208P206-S208 PolarHBondContact O-N 3.31Å
207V37.8Very low40.2Very low127 Ų127131 Ų13177%0.7780%0.796SS**  trans-89.9101.6174.2178.60000109.6V205V205-V207 PolarHBondContact O-N 3.49Å
208S35.5Very low40.3Very low109 Ų109131.2 Ų131.276%0.76281%0.805SS**  trans-80.8118174.1-63.10000111.3P206 A210P206-S208 PolarHBondContact O-N 3.31Å; S208-A210 PolarHBondContact O-N 2.92Å; S208-A210 VanDerWaalsContact O-N 3.11Å
209F34.8Very low40.7Very low202 Ų202129.5 Ų129.589%0.88680%0.798SS**  trans-74.296.6171.5-108.1-95.4000110.9
210A34.3Very low41.1Very low98 Ų98123.3 Ų123.381%0.8179%0.794SS**  trans-97.586.5172.500000110.7S208 S212S208-A210 PolarHBondContact O-N 2.92Å; S208-A210 VanDerWaalsContact O-N 3.11Å; A210-S212 PolarHBondContact O-N 2.98Å
211S34.5Very low41.4Very low119 Ų119127.5 Ų127.583%0.83280%0.795SS**  trans-79.299.2173.6-171.80000110.6
212S36.9Very low41.2Very low92 Ų92130.1 Ų130.164%0.64380%0.796SS**  trans-155105.6167.6-1660000111.4A210 Q214A210-S212 PolarHBondContact O-N 2.98Å; S212-Q214 PolarHBondContact O-N 3.19Å
213S40.9Very low41.7Very low114 Ų114131.6 Ų131.680%0.79780%0.802SS**  trans-77.584179-59.70000111.6I215S213-I215 PolarHBondContact O-N 3.45Å
214Q43.6Very low41.7Very low163 Ų163132.8 Ų132.876%0.76280%0.798SS**  trans-72.792.9174.6-80.2-69.5-21.900112S212 R216S212-Q214 PolarHBondContact O-N 3.19Å; Q214-R216 PolarHBondContact O-N 2.92Å
215I46.3Very low41.7Very low155 Ų155136 Ų13680%0.79580%0.799SS**  trans-83.994.1167.9-56.5178.4000109.5S213S213-I215 PolarHBondContact O-N 3.45Å
216R40.9Very low41.2Very low233 Ų233140.2 Ų140.288%0.87980%0.804SS**  trans-155.3150.7155-152.4154.1-73.4-143.30.6112.2Q214Q214-R216 PolarHBondContact O-N 2.92Å
217G41.6Very low41Very low67 Ų67141.5 Ų141.569%0.69180%0.803SS**  trans-74-180-178.500000114.6S219G217-S219 PolarHBondContact O-N 2.93Å
218A40.3Very low41.1Very low110 Ų110141.1 Ų141.191%0.90980%0.803SS**  trans-56.1130.5-171.300000114.2
219S45.4Very low41.4Very low103 Ų103142.9 Ų142.972%0.7280%0.799SS**  trans-85.2136.3168-176.60000110.5G217 F221G217-S219 PolarHBondContact O-N 2.93Å; S219-F221 VanDerWaalsContact C-N 3.34Å; S219-F221 PolarHBondContact O-N 2.82Å
220A44.5Very low41.8Very low99 Ų99141.3 Ų141.382%0.81879%0.794SS**  trans-9331.3-172.400000114.3
221F42.3Very low41.9Very low184 Ų184144.1 Ų144.181%0.80779%0.79SS**  trans-120.6129.1177.8-73.3-86.1000111.2S219 A223S219-F221 VanDerWaalsContact C-N 3.34Å; S219-F221 PolarHBondContact O-N 2.82Å; F221-A223 PolarHBondContact O-N 3.49Å
222Q45Very low41.9Very low191 Ų191144.1 Ų144.189%0.89379%0.786SS**  trans-72.7120.3175.6-65.2-171.638.400110.2M224Q222-M224 PolarHBondContact O-N 3.28Å
223A47.2Very low42Very low98 Ų98143 Ų14381%0.8179%0.788SS**  trans-71.4117.6167.500000109.2F221 Q225F221-A223 PolarHBondContact O-N 3.49Å; A223-Q225 PolarHBondContact O-N 2.79Å; A223-Q225 VanDerWaalsContact O-N 3.14Å
224M46.3Very low41.6Very low160 Ų160147.7 Ų147.779%0.78879%0.79SS**  trans-66.5112.2176.4-80-69.6-73.200110.3Q222 Y226Q222-M224 PolarHBondContact O-N 3.28Å; M224-Y226 PolarHBondContact O-N 2.83Å
225Q39.1Very low42Very low186 Ų186146.1 Ų146.187%0.86979%0.794SS**  trans-68.490.8176.7-170.28370.600110A223 L227A223-Q225 PolarHBondContact O-N 2.79Å; A223-Q225 VanDerWaalsContact O-N 3.14Å; Q225-L227 PolarHBondContact O-N 3.3Å; Q225-L227 VanDerWaalsContact O-N 3.16Å
226Y37.7Very low41.8Very low211 Ų211145.4 Ų145.483%0.82780%0.796SS**  trans-64.4115.6175.1-96-92.8000110.7M224M224-Y226 PolarHBondContact O-N 2.83Å
227L45.6Very low41.9Very low150 Ų150141.9 Ų141.979%0.78579%0.79SS**  trans-79130.1174.4-170.573.7000109.3Q225 H229Q225-L227 PolarHBondContact O-N 3.3Å; Q225-L227 VanDerWaalsContact O-N 3.16Å; L227-H229 PolarHBondContact O-N 3.31Å
228P41.1Very low41.6Very low119 Ų119144.3 Ų144.377%0.77380%0.796SS**  trans-72.196.9178.428.7-33.7000110.6Q230P228-Q230 PolarHBondContact O-N 3.08Å; P228-Q230 VanDerWaalsContact O-N 3.09Å
229H42.2Very low41.6Very low146 Ų146145.3 Ų145.368%0.67678%0.782SS**  trans-74.297.4177.5179.964000110.8L227 Q231L227-H229 PolarHBondContact O-N 3.31Å; H229-Q231 VanDerWaalsContact CD2-CG 3.49Å; H229-Q231 WeakPolarHBondContact CD2-CG 3.45Å; H229-Q231 WeakPolarHBondContact NE2-CG 3.36Å; H229-Q231 PolarHBondContact NE2-NE2 3.39Å; H229-Q231 PolarHBondContact O-N 2.81Å
230Q41.9Very low41.2Very low170 Ų170150.3 Ų150.379%0.79479%0.791SS**PPolyproline II helixtrans-69.9119.6172.3-163.7-156.812400109.5P228P228-Q230 PolarHBondContact O-N 3.08Å; P228-Q230 VanDerWaalsContact O-N 3.09Å
231Q36.5Very low41.2Very low156 Ų156151 Ų15173%0.72979%0.787SS**PPolyproline II helixtrans-97.6119.7175.3-72.9-162.3-7.400112.4H229H229-Q231 VanDerWaalsContact CD2-CG 3.49Å; H229-Q231 WeakPolarHBondContact CD2-CG 3.45Å; H229-Q231 WeakPolarHBondContact NE2-CG 3.36Å; H229-Q231 PolarHBondContact NE2-NE2 3.39Å; H229-Q231 PolarHBondContact O-N 2.81Å
232T34.8Very low40.9Very low120 Ų120147.5 Ų147.574%0.73679%0.785SS**PPolyproline II helixtrans-75.9122.5164.1-120000109
233G38.2Very low40.4Very low67 Ų67146.5 Ų146.569%0.69178%0.781SS**PPolyproline II helixtrans-77.9142.4-17100000114.9
234Y33Very low40.3Very low213 Ų213147.6 Ų147.684%0.83578%0.779SS**  trans-133.9129.3160.1-76.1-83000109.1
235P52.8Low40.2Very low131 Ų131143.3 Ų143.385%0.85178%0.776SS**  trans-84124.1179.832-32.1000111.4
236V42.6Very low40.1Very low139 Ų139144.3 Ų144.384%0.84278%0.778SS**  trans-111.8136.3162.71790000108.5S238V236-S238 PolarHBondContact O-N 2.98Å
237H41.8Very low40.5Very low159 Ų159142.2 Ų142.274%0.73678%0.78SS**  trans-93104.6-160.2-170.167.5000111.9H239H237-H239 AromaticContact CD2-CE1 3.88Å; H237-H239 AromaticContact CD2-ND1 3.25Å; H237-H239 PolarHBondContact CD2-ND1 3.01Å; H237-H239 VanDerWaalsContact CD2-ND1 3.25Å; H237-H239 AromaticContact CG-ND1 3.98Å; H237-H239 AromaticContact NE2-ND1 3.8Å; H237-H239 PolarHBondContact O-CE1 3.47Å; H237-H239 PolarHBondContact O-ND1 3.37Å; H237-H239 VanDerWaalsContact O-ND1 3.15Å
238S36.4Very low40.4Very low118 Ų118140.9 Ų140.983%0.82578%0.783SS**  trans-104.3127.7176.4-62.70000111.3V236V236-S238 PolarHBondContact O-N 2.98Å
239H39.9Very low40.7Very low132 Ų132139.4 Ų139.461%0.61179%0.789SS**  trans-137.5111.6-169.635.1-92.1000111.2H237H237-H239 AromaticContact CD2-CE1 3.88Å; H237-H239 AromaticContact CD2-ND1 3.25Å; H237-H239 PolarHBondContact CD2-ND1 3.01Å; H237-H239 VanDerWaalsContact CD2-ND1 3.25Å; H237-H239 AromaticContact CG-ND1 3.98Å; H237-H239 AromaticContact NE2-ND1 3.8Å; H237-H239 PolarHBondContact O-CE1 3.47Å; H237-H239 PolarHBondContact O-ND1 3.37Å; H237-H239 VanDerWaalsContact O-ND1 3.15Å
240F36.1Very low40.8Very low208 Ų208136 Ų13691%0.91279%0.786SS**  trans-168167.4144.7-119.2-129000109.2
241P44.5Very low41.4Very low113 Ų113133.9 Ų133.973%0.73479%0.79SS**PPolyproline II helixtrans-93.2159-135.333.3-37.6000117.2
242S36.2Very low42.4Very low111 Ų111131.4 Ų131.478%0.77678%0.781SS**PPolyproline II helixtrans-74.5140.5176.9-177.80000113.3
243Q35.4Very low44.2Very low169 Ų169129.9 Ų129.979%0.7977%0.773SS**PPolyproline II helixtrans-91.9133.3156.6-77.4-77.6-5.900108.6G245Q243-G245 PolarHBondContact O-N 3.44Å
244P44.8Very low45.7Very low121 Ų121133 Ų13379%0.78677%0.773SS**THydrogen-bonded Turntrans-74.9126-176.330.4-33.8000111.6
245G43Very low47.2Very low70 Ų70130 Ų13072%0.72277%0.767SS**THydrogen-bonded Turntrans168.4-30.9170.800000116.7Q243Q243-G245 PolarHBondContact O-N 3.44Å
246F38Very low47.8Very low207 Ų207129.2 Ų129.291%0.90875%0.75SS**  trans-108119.6-174-78.9-86.6000113.8S248F246-S248 PolarHBondContact O-N 2.97Å
247I46.3Very low48.9Very low168 Ų168129 Ų12986%0.86274%0.739SS**  trans-78.795.4170.441.4167.6000110.9
248S41.8Very low50.2Low122 Ų122127.1 Ų127.185%0.85373%0.734SS**  trans-66.9137.1164.2-69.10000110.9F246F246-S248 PolarHBondContact O-N 2.97Å
249G49Very low51.7Low87 Ų87126.6 Ų126.690%0.89772%0.719SS**  trans99.146.3161.300000117.6
250A44Very low52.9Low74 Ų74126 Ų12661%0.61272%0.716SS**  trans-129.6126.7157.800000110.1I252A250-I252 HydrophobicContact CB-CG1 4.45Å; A250-I252 PolarHBondContact O-N 3.37Å
251S53.6Low54Low126 Ų126119 Ų11988%0.88170%0.697SS**  trans-79.465.5-17558.80000112.4
252I58.9Low54.5Low105 Ų105119.4 Ų119.454%0.53869%0.693SS.*  trans-75.5124.6175.2-59.9176.4000108.5A250 L254 K256A250-I252 HydrophobicContact CB-CG1 4.45Å; A250-I252 PolarHBondContact O-N 3.37Å; I252-L254 PolarHBondContact O-N 2.89Å; I252-K256 HydrophobicContact CG2-CB 3.87Å; I252-K256 HydrophobicContact CG2-CD 4.43Å
253P72Confident55.6Low87 Ų87121.7 Ų121.757%0.56569%0.691SS**  trans-60.7137.8175.2-23.934.7000111.4Q255 K256P253-Q255 PolarHBondContact O-N 3.17Å; P253-K256 WeakPolarHBondContact O-CB 3.38Å; P253-K256 PolarHBondContact O-N 2.73Å
254L68.5Low56.5Low133 Ų133122.3 Ų122.370%0.69669%0.694SS**Hα-helixtrans-57-29.9-172.3-156.9145.8000113.2I252 K256 Q257 L258I252-L254 PolarHBondContact O-N 2.89Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 3.32Å; L254-Q257 PolarHBondContact O-N 3.48Å; L254-L258 PolarHBondContact O-N 3.19Å; L254-L258 VanDerWaalsContact O-N 3.17Å
255Q64.6Low56.8Low150 Ų150120 Ų12070%0.70168%0.681SS**Hα-helixtrans-53.1-45.1170.1-179.9174.3-11.900113.1P253 Q257 L258 E259P253-Q255 PolarHBondContact O-N 3.17Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 2.89Å; Q255-L258 VanDerWaalsContact O-CB 3.29Å; Q255-L258 WeakPolarHBondContact O-CB 3.31Å; Q255-L258 PolarHBondContact O-N 3.47Å; Q255-L258 VanDerWaalsContact O-N 3.14Å; Q255-E259 PolarHBondContact O-N 2.73Å; Q255-E259 VanDerWaalsContact O-N 3.13Å
256K66.7Low57.2Low115 Ų115120.6 Ų120.650%0.569%0.687SS.*Hα-helixtrans-71-31.6-177.7-143.9-179.3-172.4-175.80112.2I252 P253 L254 L258 E259 H260I252-K256 HydrophobicContact CG2-CB 3.87Å; I252-K256 HydrophobicContact CG2-CD 4.43Å; P253-K256 WeakPolarHBondContact O-CB 3.38Å; P253-K256 PolarHBondContact O-N 2.73Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 3.32Å; K256-L258 VanDerWaalsContact C-N 3.29Å; K256-E259 PolarHBondContact O-N 2.82Å; K256-H260 PolarHBondContact O-CD2 3.34Å; K256-H260 PolarHBondContact O-N 2.91Å
257Q66.1Low57.7Low133 Ų133119.7 Ų119.762%0.62168%0.683SS**Hα-helixtrans-67.3-32.9172.6-171.4172.2-12.900111.4L254 Q255 A261L254-Q257 PolarHBondContact O-N 3.48Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 2.89Å; Q257-A261 PolarHBondContact O-N 3.49Å; Q257-A261 VanDerWaalsContact O-N 3.12Å
258L68.9Low57.4Low121 Ų121118.3 Ų118.363%0.63468%0.682SS**Hα-helixtrans-68.4-41.6173.8-133.772.2000112.4L254 Q255 K256 H260 A261 N262L254-L258 PolarHBondContact O-N 3.19Å; L254-L258 VanDerWaalsContact O-N 3.17Å; Q255-L258 VanDerWaalsContact O-CB 3.29Å; Q255-L258 WeakPolarHBondContact O-CB 3.31Å; Q255-L258 PolarHBondContact O-N 3.47Å; Q255-L258 VanDerWaalsContact O-N 3.14Å; K256-L258 VanDerWaalsContact C-N 3.29Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 2.96Å; L258-A261 PolarHBondContact O-N 2.97Å; L258-N262 PolarHBondContact O-N 3.24Å
259E67.4Low57.3Low107 Ų107120.2 Ų120.250%0.568%0.683SS.*Hα-helixtrans-62.2-33.5175.6-70.1176.210500113.2Q255 K256 Q263Q255-E259 PolarHBondContact O-N 2.73Å; Q255-E259 VanDerWaalsContact O-N 3.13Å; K256-E259 PolarHBondContact O-N 2.82Å; E259-Q263 PolarHBondContact O-NE2 2.83Å; E259-Q263 VanDerWaalsContact O-NE2 3.07Å
260H64.3Low56.9Low120 Ų120120.3 Ų120.356%0.55668%0.675SS**Hα-helixtrans-75.8-35.3174.1-71.8-57.1000112.8K256 L258K256-H260 PolarHBondContact O-CD2 3.34Å; K256-H260 PolarHBondContact O-N 2.91Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 2.96Å
261A59.1Low57Low61 Ų61120.7 Ų120.750%0.50469%0.686SS.*Hα-helixtrans-66.8-42.1175.300000112.1Q257 L258 Q263 Q264 S265Q257-A261 PolarHBondContact O-N 3.49Å; Q257-A261 VanDerWaalsContact O-N 3.12Å; L258-A261 PolarHBondContact O-N 2.97Å; A261-Q263 VanDerWaalsContact C-N 3.26Å; A261-Q263 PolarHBondContact O-N 3.16Å; A261-Q264 PolarHBondContact O-N 3.44Å; A261-Q264 VanDerWaalsContact O-N 3.09Å; A261-S265 PolarHBondContact O-N 3.07Å
262N55.8Low56.1Low121 Ų121119.5 Ų119.565%0.64768%0.684SS**Hα-helixtrans-64.3-31-176.9-152.217000112.4L258 Q264 S265L258-N262 PolarHBondContact O-N 3.24Å; N262-Q264 VanDerWaalsContact C-N 3.27Å; N262-Q264 PolarHBondContact O-N 3.06Å; N262-S265 PolarHBondContact O-N 2.93Å
263Q59.3Low55.2Low158 Ų158122.8 Ų122.874%0.73870%0.702SS**THydrogen-bonded Turntrans-73-9.8176.1-76.2175.990.500115.1E259 A261E259-Q263 PolarHBondContact O-NE2 2.83Å; E259-Q263 VanDerWaalsContact O-NE2 3.07Å; A261-Q263 VanDerWaalsContact C-N 3.26Å; A261-Q263 PolarHBondContact O-N 3.16Å
264Q54.9Low54.1Low182 Ų182129.4 Ų129.485%0.8572%0.716SS**THydrogen-bonded Turntrans-104.3-9.3169.8-65.3-163.2-11.500113.2A261 N262 G266A261-Q264 PolarHBondContact O-N 3.44Å; A261-Q264 VanDerWaalsContact O-N 3.09Å; N262-Q264 VanDerWaalsContact C-N 3.27Å; N262-Q264 PolarHBondContact O-N 3.06Å; Q264-G266 VanDerWaalsContact C-N 3.35Å; Q264-G266 PolarHBondContact O-N 2.79Å
265S49.8Very low53.1Low74 Ų74129.1 Ų129.152%0.51772%0.722SS.*  trans-81.478.2175.1-173.80000110.8A261 N262 F267A261-S265 PolarHBondContact O-N 3.07Å; N262-S265 PolarHBondContact O-N 2.93Å; S265-F267 PolarHBondContact O-N 2.92Å
266G52.1Low52Low82 Ų82130.6 Ų130.685%0.84573%0.731SS**  trans-70.160-17700000115.2Q264Q264-G266 VanDerWaalsContact C-N 3.35Å; Q264-G266 PolarHBondContact O-N 2.79Å
267F48Very low50.8Low188 Ų188132.8 Ų132.883%0.82574%0.742SS**  trans-15161.9-179.3-153-93.8000114.8S265S265-F267 PolarHBondContact O-N 2.92Å
268T40.3Very low50.2Low138 Ų138131.5 Ų131.585%0.84775%0.746SS**  trans-143.696.2157.851.90000111.6
269D40.4Very low48.6Very low163 Ų163131.1 Ų131.187%0.87275%0.753SS**  trans36.7156.3142.7-153.624.6000124.3
270A41.3Very low47Very low88 Ų88130.2 Ų130.273%0.72776%0.764SS**  trans72.4127.415800000120.8
271G45.3Very low45.6Very low82 Ų82132 Ų13285%0.84577%0.774SS**  trans116.22.8133.500000120.5L273G271-L273 PolarHBondContact O-N 3.04Å
272A34.7Very low44.5Very low101 Ų101136.1 Ų136.184%0.83578%0.783SS**  trans-100.580.3-177.300000114.2R274A272-R274 PolarHBondContact O-N 2.77Å; A272-R274 VanDerWaalsContact O-N 3.11Å
273L40.8Very low43.8Very low175 Ų175136.3 Ų136.392%0.91679%0.791SS**  trans-65.1107166.5-73.6174.1000110.2G271G271-L273 PolarHBondContact O-N 3.04Å
274R47.7Very low42.6Very low226 Ų226134.4 Ų134.485%0.85380%0.795SS**  trans-67.1133.3170.7-94.7-164.8173.4-155.1-0.1110.7A272 M276A272-R274 PolarHBondContact O-N 2.77Å; A272-R274 VanDerWaalsContact O-N 3.11Å; R274-M276 PolarHBondContact O-N 3.09Å
275P48.3Very low41.7Very low126 Ų126130.2 Ų130.282%0.81879%0.791SS**  trans-61.5119.7160.1-18.431.7000109.4H277P275-H277 PolarHBondContact O-N 2.93Å
276M41.2Very low40.9Very low181 Ų181132.9 Ų132.989%0.89281%0.81SS**  trans-76.8115.8171.8-79.4-67.4-168.400109.6R274R274-M276 PolarHBondContact O-N 3.09Å
277H40.3Very low40.1Very low162 Ų162132.1 Ų132.175%0.7580%0.802SS**  trans-86.9130.3171.9-173.9-83.3000110.1P275P275-H277 PolarHBondContact O-N 2.93Å
278P53.5Low39.6Very low106 Ų106131.2 Ų131.269%0.68881%0.805SS**  trans-79133.1-17831.5-34.1000111.9
279S35.6Very low39.5Very low113 Ų113132.4 Ų132.479%0.7981%0.805SS**  trans-159.7145.6157.7-80.20000109.4
280A35.4Very low40Very low88 Ų88129.6 Ų129.673%0.72780%0.796SS**  trans-79.7164.5-175.700000112.5
281M33.2Very low39.6Very low157 Ų157131.6 Ų131.677%0.77380%0.799SS**  -175.9130.7124.9-90.3-79.79300110.7
282H36Very low39.6Very low148 Ų148133.3 Ų133.369%0.68580%0.795SS**  trans51121157.1-76.6-101.7000122.8
283P41.8Very low39.5Very low125 Ų125137.7 Ų137.781%0.81280%0.801SS**  trans-84.714414735-30.2000111
284S34.3Very low39.4Very low117 Ų117136.3 Ų136.382%0.81880%0.8SS**  trans-157.2153.8169.7-74.50000110.2
285A36.5Very low38.6Very low94 Ų94133.7 Ų133.778%0.77780%0.797SS**  trans-117.3179.3-163.100000114.4
286S33.4Very low37.9Very low131 Ų131135.5 Ų135.592%0.91680%0.798SS**  trans81.1147.6-172.8-35.90000113.7
287G34.2Very low37.8Very low66 Ų66131.9 Ų131.968%0.6879%0.788SS**  cis159.5169.2-3.600000111.1
288L37.6Very low37.6Very low169 Ų169131 Ų13189%0.88579%0.794SS**  trans7689.2171.2-49.6172.1000118.5
289L38.6Very low36.7Very low162 Ų162130.3 Ų130.385%0.84880%0.797SS**  28.8158.9109.8-63-178.2000121.1
290P49.7Very low36.6Very low105 Ų105134 Ų13468%0.68280%0.799SS**  cis-143.5-150.6-23.337.5-15.2000114.1
291T34.3Very low36.5Very low130 Ų130135.3 Ų135.380%0.79880%0.798SS**  trans98.6157.9164.581.60000116
292P44.5Very low36.2Very low117 Ų117138.3 Ų138.376%0.7680%0.801SS**  -133.2152-9730.9-8.9000116
293M33.3Very low36.1Very low194 Ų194139 Ų13996%0.95681%0.809SS**  trans-127152.8165.9-76.7-159.973.900112.8
294V37.8Very low36.3Very low146 Ų146138.2 Ų138.289%0.88580%0.804SS**  trans-82.1147.4-161.8175.20000113
295Q30.7Very low36.3Very low171 Ų171141.2 Ų141.280%0.79980%0.804SS**  trans-95121.7-172.9170.3-170.6-17.400112.2
296I35.1Very low36.2Very low163 Ų163143.4 Ų143.484%0.83680%0.802SS**  trans-132.7129.3155.4-60.7-176.4000107.7
297P38.9Very low36.3Very low105 Ų105144.7 Ų144.768%0.68280%0.798SS**  trans-103.9155.7-163.338.4-35.5000115.4
298T35.8Very low36.3Very low143 Ų143145.8 Ų145.888%0.87780%0.801SS**  trans-124.2143151.152.50000109.5
299A34.1Very low36.8Very low92 Ų92143.4 Ų143.476%0.7680%0.795SS**  trans-72.7139.9179.600000110.6
300K32.7Very low36.4Very low190 Ų190139.9 Ų139.983%0.82678%0.784SS**  50.2123.481.3-125.3-168.8-172.9760110.8
301V33.4Very low35.6Very low117 Ų117145.8 Ų145.871%0.70979%0.793SS**  cis-149.9115.747.6168.90000109.1
302R28.6Very low35.4Very low219 Ų219145.4 Ų145.483%0.82679%0.79SS**  5297.497.8-170.9-174.6-175.2166.63.9116.2
303L32.3Very low34.8Very low164 Ų164144 Ų14486%0.85979%0.788SS**  trans-80.7151.5150.9-97.177.6000110.9
304P47.3Very low34.8Very low108 Ų108140.7 Ų140.770%0.70179%0.785SS**  trans-105.8146.2152.635.4-26.9000112.5
305H33.5Very low34.7Very low179 Ų179138.5 Ų138.583%0.82978%0.782SS**  trans-22.4138.2157.7-118.737.2000117.2
306L33.8Very low34.7Very low141 Ų141136.3 Ų136.374%0.73879%0.786SS**  176.3152.1105.9-90.2173.6000113
307L36.7Very low34.7Very low157 Ų157138.4 Ų138.482%0.82279%0.789SS**  trans36.9123.5150.3-64.7161.2000121.4
308A33.6Very low34.4Very low90 Ų90142.5 Ų142.574%0.74480%0.799SS**  trans-79.1160.5154.400000110.3
309P48.3Very low34.3Very low118 Ų118140.9 Ų140.977%0.76679%0.794SS**  -153.5150.176.239.2-19.8000118.6
310S30.7Very low34.6Very low88 Ų88141.6 Ų141.662%0.61579%0.793SS**  trans62.5156.7138.7-159.70000122.4
311W31.3Very low35.8Very low229 Ų229137.8 Ų137.887%0.86779%0.788SS**  trans68.6152.7172-49.193.1000116.5
312V31.1Very low36.4Very low122 Ų122141.2 Ų141.274%0.73980%0.796SS**  cis172.4119.4-47.51470000105.8
313A32.1Very low36.7Very low87 Ų87134 Ų13472%0.71979%0.79SS**  trans71.2162.7154.800000122.6
314S32.8Very low36.9Very low126 Ų126131 Ų13188%0.88179%0.788SS**  trans81.2115.4156.4-57.30000119.3
315A36Very low37.3Very low100 Ų100131.5 Ų131.583%0.82679%0.792SS**  trans-109.9148.617000000111
316S30.5Very low37.9Very low125 Ų125132.7 Ų132.787%0.87479%0.789SS**  trans-144.2149.8177.2-79.20000112.8
317F35.7Very low38.2Very low206 Ų206132.8 Ų132.890%0.90479%0.786SS**  trans-80.9158.1-169.3-73.3-108.2000116
318Q32.8Very low38.2Very low191 Ų191130.1 Ų130.189%0.89378%0.78SS**  171.6153.9128.1-93.6175.1-2.200109.8
319S32.4Very low38.6Very low110 Ų110135.8 Ų135.877%0.76979%0.789SS**  cis-160.8165.4-17.3510000110.8
320S40Very low38.4Very low106 Ų106138.6 Ų138.674%0.74180%0.796SS**  trans-88.1-159.5174.5-147.80000111.1
321P59.3Low38.9Very low111 Ų111138.7 Ų138.772%0.72180%0.802SS**  cis-102.6-166.516.945.5-39.5000112.1
322Q44.8Very low39.2Very low188 Ų188136.9 Ų136.988%0.87980%0.803SS**  cis-156.7-175.7-12.5-128174.626.600107
323G36Very low39.5Very low69 Ų69134.6 Ų134.671%0.71179%0.792SS**  cis-169.6166.5-3.100000111.5
324A36.2Very low39.9Very low99 Ų99139.4 Ų139.482%0.81880%0.8SS**  trans-139.5161.9-171.900000113
325P56.3Low40.4Very low120 Ų120139 Ų13978%0.77980%0.797SS**  -148.5163.2122.635.3-18.3000114.8
326R45.5Very low40.6Very low204 Ų204137.7 Ų137.777%0.7779%0.793SS**  cis-171.4146.3-14.6-110.1177.2148.8-172.8-6.3110.8
327H40.6Very low41.3Very low143 Ų143139.8 Ų139.866%0.66279%0.789SS**  trans58.9154.2141.2-61.3-29.4000121.4
328S35.7Very low41.9Very low101 Ų101138.3 Ų138.371%0.70678%0.778SS**  cis-164.8156.2-18.5-96.10000110.2
329F41.9Very low42.8Very low209 Ų209137.6 Ų137.692%0.91777%0.772SS**  trans-83.8153.1164.1-77.6-92.1000111.6
330L44.6Very low43.3Very low176 Ų176138.9 Ų138.992%0.92176%0.761SS**  trans-143.2151.3169.8-14677.2000109.7
331A40.5Very low43.7Very low90 Ų90142.3 Ų142.374%0.74477%0.765SS**  trans-149.6155.7-177.200000112.5
332H37.5Very low43.2Very low191 Ų191144.4 Ų144.488%0.88476%0.764SS**  trans67.8149.2-180-106.148.3000115
333S38.1Very low43Very low74 Ų74140.9 Ų140.952%0.51776%0.761SS.*  cis-159.3166.8-1.173.20000112.2
334Q40.5Very low43.4Very low189 Ų189150.5 Ų150.588%0.88378%0.783SS**  trans65.6153.9167.3-58.7-177.753.100115.9
335S42.8Very low43.8Very low118 Ų118153.1 Ų153.183%0.82578%0.781SS**  cis-133.6173.410.956.40000111.5
336G40Very low43.1Very low71 Ų71154.8 Ų154.873%0.73278%0.781SS**  trans-113.8162.7-171.600000115.4
337Q46.1Very low43Very low170 Ų170152.1 Ų152.179%0.79478%0.782SS**  trans-138.5150.7148.8-96.6-59.2-1.500111.1
338R49.2Very low43.1Very low175 Ų175152.6 Ų152.666%0.6679%0.789SS**  trans-107.9122.2178.5-58.3169.180.6-130.37.6108.6Y340R338-Y340 PolarHBondContact NH2-OH 2.93Å
339F51.2Low43.6Very low176 Ų176155.9 Ų155.977%0.77279%0.794SS**  trans-125.9119.5163.8-91-83.4000111.2
340Y43.2Very low43.7Very low137 Ų137152.3 Ų152.354%0.53779%0.786SS.*  trans-88.7139.3168.7-75.5-108000108.7R338 H342R338-Y340 PolarHBondContact NH2-OH 2.93Å; Y340-H342 AromaticContact CD1-CD2 3.93Å; Y340-H342 AromaticContact CD1-NE2 3.44Å; Y340-H342 WeakPolarHBondContact CD1-NE2 3.44Å; Y340-H342 AromaticContact CE1-NE2 3.85Å
341H48.5Very low43.6Very low178 Ų178150.6 Ų150.682%0.82478%0.776SS**  trans-127.391.3157-76.4-76.4000109.7
342H47.9Very low43.9Very low154 Ų154155.3 Ų155.371%0.71378%0.779SS**  trans-93.2126.8157.9-58.7-56.2000108.2Y340Y340-H342 AromaticContact CD1-CD2 3.93Å; Y340-H342 AromaticContact CD1-NE2 3.44Å; Y340-H342 WeakPolarHBondContact CD1-NE2 3.44Å; Y340-H342 AromaticContact CE1-NE2 3.85Å
343S40.1Very low44.4Very low115 Ų115152.3 Ų152.380%0.80477%0.77SS**  trans166.6139.2158.9-84.20000108.8
344K45.6Very low45Very low271 Ų271159.5 Ų159.5100%1.17879%0.793SS**  cis-155.60-9.2-144.6176.3-177.2-179.90110.3

Retrieved 344 of 344 residues in 124.6 ms (Link to these results)