A0A077Z0M2_TRITR Loading...

Laminin subunit beta-1

AlphaFold DB , UniProt , Accession A0A077Z0M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M44.3Very low48Very low231 Ų231164.2 Ų164.2100%1.13879%0.788SS**  0-13.50-76.3179.8176.500114.5R3 K4M1-R3 PolarHBondContact O-N 2.95Å; M1-K4 PolarHBondContact O-N 2.92Å
2I45.1Very low48.5Very low138 Ų138159 Ų15971%0.70877%0.774SS**G310 helixtrans-62.9-23-179.1-61.9169.9000113.8K4 Y6I2-K4 VanDerWaalsContact C-N 3.31Å; I2-K4 PolarHBondContact O-N 3.38Å; I2-Y6 HydrophobicContact CG2-CE2 4.05Å
3R46.7Very low49.1Very low240 Ų240153.8 Ų153.891%0.90675%0.752SS**G310 helixtrans-69.4-18-177.2-112.5-178.2-172.4176.52.3115.7M1M1-R3 PolarHBondContact O-N 2.95Å
4K46.1Very low50.7Low195 Ų195149.7 Ų149.785%0.84874%0.74SS**G310 helixtrans-88.2-11.2-178.3-86.7-171.5174.3-174.60114.6M1 I2M1-K4 PolarHBondContact O-N 2.92Å; I2-K4 VanDerWaalsContact C-N 3.31Å; I2-K4 PolarHBondContact O-N 3.38Å
5A48.3Very low52.3Low67 Ų67144.9 Ų144.955%0.55472%0.722SS**THydrogen-bonded Turntrans-81-17.2-178.600000114.1
6Y51.2Low54.2Low177 Ų177142.1 Ų142.169%0.69471%0.711SS**THydrogen-bonded Turntrans-89.7-6-171.6-73.8-80.6000115.1I2I2-Y6 HydrophobicContact CG2-CE2 4.05Å
7H48Very low55.9Low178 Ų178137.9 Ų137.982%0.82469%0.694SS**SBendtrans-94.4-14.1-173.6-117.1-37.1000115.1
8E45.5Very low57.7Low181 Ų181135.3 Ų135.385%0.84668%0.679SS**SBendtrans-86.2-17.9177.4-87-179.916300113.7G10E8-G10 PolarHBondContact O-N 3.19Å
9Y54Low59.5Low190 Ų190132.7 Ų132.775%0.74567%0.668SS**SBendtrans-96.883.7171.6-61.9-77000108.4I11Y9-I11 PolarHBondContact O-N 3.27Å
10G49.1Very low61.1Low65 Ų65133.2 Ų133.267%0.6767%0.667SS**  trans-42.4118.117100000109.6E8 V12E8-G10 PolarHBondContact O-N 3.19Å; G10-V12 PolarHBondContact O-N 3.23Å
11I49.6Very low62.6Low144 Ų144130.6 Ų130.674%0.73866%0.658SS**  trans-6588-177.9-58.3165.4000106.3Y9 N13Y9-I11 PolarHBondContact O-N 3.27Å; I11-N13 PolarHBondContact O-N 3.37Å; I11-N13 VanDerWaalsContact O-N 3.09Å
12V53.7Low64.9Low102 Ų102126.2 Ų126.262%0.61863%0.629SS**  trans-56.5114156.9179.20000103.8G10 V14 V17G10-V12 PolarHBondContact O-N 3.23Å; V12-V14 PolarHBondContact O-N 2.99Å; V12-V17 HydrophobicContact CG1-CG2 3.53Å
13N57.1Low67.2Low92 Ų92123.9 Ų123.949%0.49262%0.618SS.*  trans-53.6109.4-179.8-108.4-11.9000107.3I11 T15 D16I11-N13 PolarHBondContact O-N 3.37Å; I11-N13 VanDerWaalsContact O-N 3.09Å; N13-T15 PolarHBondContact O-N 2.77Å; N13-D16 HydrophobicContact CB-CB 4.43Å; N13-D16 WeakPolarHBondContact CB-OD2 3.42Å; N13-D16 PolarHBondContact O-N 2.87Å
14V70.9Confident69.5Low96 Ų96116.8 Ų116.858%0.58260%0.595SS**Hα-helixtrans-53.9-28.8-177.3177.70000110.4V12 E18V12-V14 PolarHBondContact O-N 2.99Å; V14-E18 HydrophobicContact CG1-CG 4.44Å; V14-E18 WeakPolarHBondContact O-CB 3.4Å; V14-E18 WeakPolarHBondContact O-CG 3.28Å; V14-E18 PolarHBondContact O-N 3.44Å
15T75.5Confident71.8Confident77 Ų77112.5 Ų112.547%0.47258%0.58SS.*Hα-helixtrans-63.1-40174.449.60000114.5N13 E18 D19N13-T15 PolarHBondContact O-N 2.77Å; T15-E18 PolarHBondContact O-N 2.86Å; T15-D19 WeakPolarHBondContact O-CB 3.16Å; T15-D19 PolarHBondContact O-N 3.32Å
16D81.8Confident74.1Confident101 Ų101116.3 Ų116.354%0.5458%0.58SS.*Hα-helixtrans-70.2-40.2-177.6-66-22000110.6N13 D19 E20N13-D16 HydrophobicContact CB-CB 4.43Å; N13-D16 WeakPolarHBondContact CB-OD2 3.42Å; N13-D16 PolarHBondContact O-N 2.87Å; D16-D19 PolarHBondContact O-N 2.92Å; D16-E20 WeakPolarHBondContact O-CB 3.34Å; D16-E20 PolarHBondContact O-N 2.83Å
17V83.9Confident76.3Confident70 Ų70113 Ų11342%0.42457%0.569SS.*Hα-helixtrans-66.9-42.6175.1-179.60000110.8V12 D19 E20 V21V12-V17 HydrophobicContact CG1-CG2 3.53Å; V17-D19 PolarHBondContact O-N 3.41Å; V17-E20 PolarHBondContact O-N 3.21Å; V17-V21 HydrophobicContact CG1-CG2 4.46Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.1Å; V17-V21 PolarHBondContact O-N 3.47Å
18E87.9Confident78.6Confident92 Ų92110.5 Ų110.543%0.4356%0.56SS.*Hα-helixtrans-60.7-42.7176.2-81.8-174.6-159.600112.4V14 T15 V21 R22V14-E18 HydrophobicContact CG1-CG 4.44Å; V14-E18 WeakPolarHBondContact O-CB 3.4Å; V14-E18 WeakPolarHBondContact O-CG 3.28Å; V14-E18 PolarHBondContact O-N 3.44Å; T15-E18 PolarHBondContact O-N 2.86Å; E18-V21 PolarHBondContact O-N 3.49Å; E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.49Å; E18-R22 PolarHBondContact O-N 2.97Å; E18-R22 IonicContact OE2-CZ 3.68Å; E18-R22 IonicContact OE2-NH2 3.9Å; E18-R22 PolarHBondContact OE2-NH2 2.9Å
19D91.1Very high81Confident86 Ų86109.1 Ų109.146%0.4655%0.547SS..Hα-helixtrans-71.6-35.8-179.8-76.2-22000112.5T15 D16 V17 R22 L23T15-D19 WeakPolarHBondContact O-CB 3.16Å; T15-D19 PolarHBondContact O-N 3.32Å; D16-D19 PolarHBondContact O-N 2.92Å; V17-D19 PolarHBondContact O-N 3.41Å; D19-R22 PolarHBondContact O-N 3.42Å; D19-R22 IonicContact OD1-CZ 3.08Å; D19-R22 IonicContact OD1-NH1 3.8Å; D19-R22 PolarHBondContact OD1-NH1 3.33Å; D19-L23 WeakPolarHBondContact O-CB 3.45Å; D19-L23 PolarHBondContact O-N 3.39Å
20E92Very high83Confident141 Ų141103.8 Ų103.866%0.65953%0.531SS*.Hα-helixtrans-63.5-45.4172.5-172.6172-162.800111.6D16 V17 R22 L23 E24D16-E20 WeakPolarHBondContact O-CB 3.34Å; D16-E20 PolarHBondContact O-N 2.83Å; V17-E20 PolarHBondContact O-N 3.21Å; E20-R22 PolarHBondContact O-N 3.43Å; E20-L23 PolarHBondContact O-N 2.95Å; E20-E24 PolarHBondContact O-N 2.99Å
21V92Very high85.3Confident79 Ų79104 Ų10448%0.47952%0.522SS..Hα-helixtrans-61.6-43.3175.5171.40000111V17 E18 L23 E24 I25V17-V21 HydrophobicContact CG1-CG2 4.46Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.1Å; V17-V21 PolarHBondContact O-N 3.47Å; E18-V21 PolarHBondContact O-N 3.49Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.2Å; V21-E24 PolarHBondContact O-N 2.89Å; V21-I25 HydrophobicContact CG1-CD1 3.74Å; V21-I25 HydrophobicContact CG1-CG1 4.37Å; V21-I25 WeakPolarHBondContact O-CB 3.26Å; V21-I25 VanDerWaalsContact O-CG1 3.23Å; V21-I25 WeakPolarHBondContact O-CG1 3.05Å; V21-I25 PolarHBondContact O-N 2.85Å
22R93.6Very high87.5Confident140 Ų14099.9 Ų99.953%0.52851%0.509SS..Hα-helixtrans-62.7-39.3176.3-73.8171-165.3167.23.8112.2E18 D19 E20 R26E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.49Å; E18-R22 PolarHBondContact O-N 2.97Å; E18-R22 IonicContact OE2-CZ 3.68Å; E18-R22 IonicContact OE2-NH2 3.9Å; E18-R22 PolarHBondContact OE2-NH2 2.9Å; D19-R22 PolarHBondContact O-N 3.42Å; D19-R22 IonicContact OD1-CZ 3.08Å; D19-R22 IonicContact OD1-NH1 3.8Å; D19-R22 PolarHBondContact OD1-NH1 3.33Å; E20-R22 PolarHBondContact O-N 3.43Å; R22-R26 WeakPolarHBondContact O-CB 2.85Å; R22-R26 PolarHBondContact O-N 2.77Å
23L93.7Very high89.5Confident88 Ų88102.3 Ų102.346%0.46151%0.511SS..Hα-helixtrans-65.4-43.9177.2-176.966000111.3D19 E20 V21 R26 K27D19-L23 WeakPolarHBondContact O-CB 3.45Å; D19-L23 PolarHBondContact O-N 3.39Å; E20-L23 PolarHBondContact O-N 2.95Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.2Å; L23-R26 WeakPolarHBondContact O-CB 3.47Å; L23-R26 PolarHBondContact O-N 3.06Å; L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 2.8Å
24E94.8Very high91.4Very high92 Ų92100.6 Ų100.643%0.4351%0.51SS..Hα-helixtrans-69.2-39.9179.8-16057.3-147.200111.8E20 V21 R26 K27 M28E20-E24 PolarHBondContact O-N 2.99Å; V21-E24 PolarHBondContact O-N 2.89Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.26Å; E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 WeakPolarHBondContact OE2-CD 3.42Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 2.84Å; E24-K27 VanDerWaalsContact OE2-NZ 3.08Å; E24-M28 WeakPolarHBondContact O-CB 3.34Å; E24-M28 WeakPolarHBondContact O-CG 3.33Å; E24-M28 PolarHBondContact O-N 2.87Å
25I94.7Very high92.6Very high105 Ų105101.2 Ų101.254%0.53851%0.51SS..Hα-helixtrans-57.5-41.9170.4-70.5168.7000110.7V21 M28 R29V21-I25 HydrophobicContact CG1-CD1 3.74Å; V21-I25 HydrophobicContact CG1-CG1 4.37Å; V21-I25 WeakPolarHBondContact O-CB 3.26Å; V21-I25 VanDerWaalsContact O-CG1 3.23Å; V21-I25 WeakPolarHBondContact O-CG1 3.05Å; V21-I25 PolarHBondContact O-N 2.85Å; I25-M28 PolarHBondContact O-N 3.44Å; I25-R29 VanDerWaalsContact O-CB 3.31Å; I25-R29 WeakPolarHBondContact O-CB 3.4Å; I25-R29 PolarHBondContact O-N 3.45Å
26R96Very high93.6Very high147 Ų147100.2 Ų100.256%0.55551%0.509SS*.Hα-helixtrans-63.4-47.6177-172.6-178.5-66.6177.8-0.1111.4R22 L23 E24 R29 D30R22-R26 WeakPolarHBondContact O-CB 2.85Å; R22-R26 PolarHBondContact O-N 2.77Å; L23-R26 WeakPolarHBondContact O-CB 3.47Å; L23-R26 PolarHBondContact O-N 3.06Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.26Å; R26-R29 PolarHBondContact O-N 2.72Å; R26-D30 WeakPolarHBondContact O-CB 3.23Å; R26-D30 PolarHBondContact O-N 2.88Å
27K96.6Very high94.3Very high106 Ų10697.7 Ų97.746%0.46150%0.5SS..Hα-helixtrans-60.7-44.8176.4-71.1170.9-174.5166.60112.1L23 E24 R29 D30 C31L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 2.8Å; E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 WeakPolarHBondContact OE2-CD 3.42Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 2.84Å; E24-K27 VanDerWaalsContact OE2-NZ 3.08Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-R29 PolarHBondContact O-N 3.44Å; K27-D30 PolarHBondContact O-N 3.01Å; K27-C31 WeakPolarHBondContact O-CB 3.46Å; K27-C31 PolarHBondContact O-N 3.33Å
28M96.7Very high95Very high127 Ų127103.1 Ų103.163%0.62651%0.513SS*.Hα-helixtrans-59.9-43.3176.1-76.4-176.165.500111.4E24 I25 C31 A32E24-M28 WeakPolarHBondContact O-CB 3.34Å; E24-M28 WeakPolarHBondContact O-CG 3.33Å; E24-M28 PolarHBondContact O-N 2.87Å; I25-M28 PolarHBondContact O-N 3.44Å; M28-C31 PolarHBondContact O-N 3.27Å; M28-A32 VanDerWaalsContact O-CB 3.3Å; M28-A32 WeakPolarHBondContact O-CB 3.23Å; M28-A32 PolarHBondContact O-N 3.42Å
29R96.5Very high95.4Very high151 Ų151104.4 Ų104.457%0.5752%0.522SS*.Hα-helixtrans-64.4-46.6177.1-176.3-165.166.4-174.71.5111.9I25 R26 K27 C31 A32 F33I25-R29 VanDerWaalsContact O-CB 3.31Å; I25-R29 WeakPolarHBondContact O-CB 3.4Å; I25-R29 PolarHBondContact O-N 3.45Å; R26-R29 PolarHBondContact O-N 2.72Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-R29 PolarHBondContact O-N 3.44Å; R29-C31 VanDerWaalsContact C-N 3.31Å; R29-C31 PolarHBondContact O-N 3.22Å; R29-A32 PolarHBondContact O-N 3.36Å; R29-F33 WeakPolarHBondContact O-CB 3.33Å; R29-F33 PolarHBondContact O-N 3.13Å
30D96.1Very high95.7Very high78 Ų78105.7 Ų105.742%0.41753%0.525SS..Hα-helixtrans-67.1-36.7-179.1-61.8-10.3000110.5R26 K27 F33 A34R26-D30 WeakPolarHBondContact O-CB 3.23Å; R26-D30 PolarHBondContact O-N 2.88Å; K27-D30 PolarHBondContact O-N 3.01Å; D30-F33 PolarHBondContact O-N 3Å; D30-A34 WeakPolarHBondContact O-CB 3.46Å; D30-A34 PolarHBondContact O-N 3Å
31C96.9Very high95.9Very high71 Ų71104.4 Ų104.448%0.4852%0.522SS..Hα-helixtrans-63.3-47.3170.6-1760000112K27 M28 R29 F33 A34 L35K27-C31 WeakPolarHBondContact O-CB 3.46Å; K27-C31 PolarHBondContact O-N 3.33Å; M28-C31 PolarHBondContact O-N 3.27Å; R29-C31 VanDerWaalsContact C-N 3.31Å; R29-C31 PolarHBondContact O-N 3.22Å; C31-F33 VanDerWaalsContact C-N 3.29Å; C31-F33 PolarHBondContact O-N 2.96Å; C31-A34 PolarHBondContact O-N 2.92Å; C31-L35 WeakPolarHBondContact O-CB 3.48Å; C31-L35 WeakPolarHBondContact O-CG 3.14Å; C31-L35 PolarHBondContact O-N 3.3Å
32A95.4Very high96.1Very high57 Ų57104.6 Ų104.647%0.47152%0.524SS..Hα-helixtrans-59.9-40176.600000111.8M28 R29 L35 A36M28-A32 VanDerWaalsContact O-CB 3.3Å; M28-A32 WeakPolarHBondContact O-CB 3.23Å; M28-A32 PolarHBondContact O-N 3.42Å; R29-A32 PolarHBondContact O-N 3.36Å; A32-L35 PolarHBondContact O-N 3.36Å; A32-A36 WeakPolarHBondContact O-CB 3.44Å; A32-A36 PolarHBondContact O-N 3.46Å
33F96.5Very high96.3Very high152 Ų152103.1 Ų103.167%0.66752%0.521SS*.Hα-helixtrans-64.7-44.3175.3-177.5-95.8000112.3R29 D30 C31 A36 S37R29-F33 WeakPolarHBondContact O-CB 3.33Å; R29-F33 PolarHBondContact O-N 3.13Å; D30-F33 PolarHBondContact O-N 3Å; C31-F33 VanDerWaalsContact C-N 3.29Å; C31-F33 PolarHBondContact O-N 2.96Å; F33-A36 PolarHBondContact O-N 2.96Å; F33-S37 WeakPolarHBondContact O-CB 3.48Å; F33-S37 PolarHBondContact O-N 3.21Å; F33-S37 PolarHBondContact O-OG 3.25Å
34A96.7Very high96.5Very high57 Ų57101.5 Ų101.547%0.47152%0.52SS..Hα-helixtrans-64-41.2176.200000112.2D30 C31 S37 R38D30-A34 WeakPolarHBondContact O-CB 3.46Å; D30-A34 PolarHBondContact O-N 3Å; C31-A34 PolarHBondContact O-N 2.92Å; A34-S37 PolarHBondContact O-N 3.05Å; A34-R38 WeakPolarHBondContact O-CB 3.39Å; A34-R38 PolarHBondContact O-N 2.97Å
35L96.8Very high96.6Very high109 Ų109101.7 Ų101.757%0.57152%0.524SS*.Hα-helixtrans-64-46.1175.6-75.6170.5000111.8C31 A32 S37 R38 L39C31-L35 WeakPolarHBondContact O-CB 3.48Å; C31-L35 WeakPolarHBondContact O-CG 3.14Å; C31-L35 PolarHBondContact O-N 3.3Å; A32-L35 PolarHBondContact O-N 3.36Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.4Å; L35-R38 PolarHBondContact O-N 3.37Å; L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 PolarHBondContact O-N 3.44Å
36A96.3Very high96.7Very high55 Ų5598.1 Ų98.146%0.45551%0.514SS..Hα-helixtrans-60.9-43.7176.500000111.6A32 F33 R38 L39 E40A32-A36 WeakPolarHBondContact O-CB 3.44Å; A32-A36 PolarHBondContact O-N 3.46Å; F33-A36 PolarHBondContact O-N 2.96Å; A36-R38 PolarHBondContact O-N 2.71Å; A36-L39 PolarHBondContact O-N 3.23Å; A36-E40 PolarHBondContact O-N 3.46Å
37S97.4Very high96.8Very high49 Ų4995.5 Ų95.534%0.34351%0.508SS..Hα-helixtrans-62.3-43.6176.6-59.80000112.1F33 A34 L35 L39 E40 L41F33-S37 WeakPolarHBondContact O-CB 3.48Å; F33-S37 PolarHBondContact O-N 3.21Å; F33-S37 PolarHBondContact O-OG 3.25Å; A34-S37 PolarHBondContact O-N 3.05Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.4Å; S37-L39 VanDerWaalsContact C-N 3.34Å; S37-E40 PolarHBondContact O-N 2.98Å; S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 3.39Å
38R97.2Very high96.9Very high184 Ų18497.9 Ų97.969%0.69452%0.518SS*.Hα-helixtrans-66-36.8176.5-173.6175.9180176.20.4112A34 L35 A36 T42A34-R38 WeakPolarHBondContact O-CB 3.39Å; A34-R38 PolarHBondContact O-N 2.97Å; L35-R38 PolarHBondContact O-N 3.37Å; A36-R38 PolarHBondContact O-N 2.71Å; R38-T42 WeakPolarHBondContact O-CB 3.38Å; R38-T42 PolarHBondContact O-N 3.03Å; R38-T42 PolarHBondContact O-OG1 3.38Å
39L96.9Very high97Very high119 Ų11999 Ų9962%0.62352%0.519SS*.Hα-helixtrans-64.7-46.5176.6-175.265000111L35 A36 S37 L41 T42 K43L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 PolarHBondContact O-N 3.44Å; A36-L39 PolarHBondContact O-N 3.23Å; S37-L39 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 3.47Å; L39-T42 PolarHBondContact O-N 2.85Å; L39-K43 WeakPolarHBondContact O-CB 3.43Å; L39-K43 PolarHBondContact O-N 3.38Å
40E96.8Very high97Very high112 Ų11295.7 Ų95.752%0.52352%0.516SS..Hα-helixtrans-61.6-43.8176.2-76.7-58.9142.800112.1A36 S37 T42 K43 A44A36-E40 PolarHBondContact O-N 3.46Å; S37-E40 PolarHBondContact O-N 2.98Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 3.02Å; E40-K43 PolarHBondContact O-N 2.99Å; E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.39Å
41L96.8Very high97.1Very high114 Ų11498.9 Ų98.960%0.59753%0.526SS*.Hα-helixtrans-62.3-40.3174.4-72173.4000112.3S37 L39 N45S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 3.39Å; L39-L41 PolarHBondContact O-N 3.47Å; L41-N45 VanDerWaalsContact O-CB 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.49Å; L41-N45 VanDerWaalsContact O-CG 3.27Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-ND2 3.18Å; L41-N45 VanDerWaalsContact O-ND2 3.14Å
42T97.1Very high97.2Very high84 Ų84102 Ų10252%0.51554%0.535SS..Hα-helixtrans-67.7-42.2178.6-57.60000111R38 L39 E40 N45 G46R38-T42 WeakPolarHBondContact O-CB 3.38Å; R38-T42 PolarHBondContact O-N 3.03Å; R38-T42 PolarHBondContact O-OG1 3.38Å; L39-T42 PolarHBondContact O-N 2.85Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 3.02Å; T42-N45 PolarHBondContact O-N 3.2Å; T42-G46 PolarHBondContact O-N 3.34Å
43K97.5Very high97.3Very high109 Ų109104.6 Ų104.647%0.47454%0.54SS..Hα-helixtrans-60.7-51.7174.8-179.5-175.2171.8-168.50111.1L39 E40 N45 G46 E47L39-K43 WeakPolarHBondContact O-CB 3.43Å; L39-K43 PolarHBondContact O-N 3.38Å; E40-K43 PolarHBondContact O-N 2.99Å; K43-N45 VanDerWaalsContact C-N 3.32Å; K43-N45 PolarHBondContact O-N 3.35Å; K43-G46 PolarHBondContact O-N 3.34Å; K43-G46 VanDerWaalsContact O-N 3.12Å; K43-E47 VanDerWaalsContact CE-OE1 3.26Å; K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 WeakPolarHBondContact O-CG 3.45Å; K43-E47 PolarHBondContact O-N 3.48Å
44A96.6Very high97.4Very high54 Ų54102.5 Ų102.545%0.44654%0.536SS..Hα-helixtrans-59.1-41.9177.900000112.4E40 K48E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.39Å; A44-K48 WeakPolarHBondContact O-CB 3.42Å; A44-K48 PolarHBondContact O-N 3.03Å
45N97.2Very high97.5Very high95 Ų95106.4 Ų106.451%0.50854%0.542SS..Hα-helixtrans-65.8-41.1174.9-78.6-32.6000112.5L41 T42 K43 K48 K49L41-N45 VanDerWaalsContact O-CB 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.49Å; L41-N45 VanDerWaalsContact O-CG 3.27Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-ND2 3.18Å; L41-N45 VanDerWaalsContact O-ND2 3.14Å; T42-N45 PolarHBondContact O-N 3.2Å; K43-N45 VanDerWaalsContact C-N 3.32Å; K43-N45 PolarHBondContact O-N 3.35Å; N45-K48 PolarHBondContact O-N 2.96Å; N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.12Å
46G97.8Very high97.5Very high31 Ų31105.2 Ų105.232%0.3254%0.539SS..Hα-helixtrans-61.2-49.2175.200000111.7T42 K43 K48 K49 V50T42-G46 PolarHBondContact O-N 3.34Å; K43-G46 PolarHBondContact O-N 3.34Å; K43-G46 VanDerWaalsContact O-N 3.12Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 3.47Å; G46-K49 PolarHBondContact O-N 3Å; G46-K49 VanDerWaalsContact O-N 3.17Å; G46-V50 WeakPolarHBondContact O-CG2 3.47Å; G46-V50 PolarHBondContact O-N 2.87Å
47E97.7Very high97.6Very high92 Ų92107.9 Ų107.943%0.4354%0.544SS..Hα-helixtrans-58.8-42.5176.4-73.3178.7-166.900112.1K43 V50 K51K43-E47 VanDerWaalsContact CE-OE1 3.26Å; K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 WeakPolarHBondContact O-CG 3.45Å; K43-E47 PolarHBondContact O-N 3.48Å; E47-V50 PolarHBondContact O-N 3.17Å; E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.3Å
48K98Very high97.7Very high155 Ų155112.9 Ų112.967%0.67456%0.56SS**Hα-helixtrans-61.2-45.1175.6-174.9178.6178.3-179.70111.8A44 N45 G46 K51 M52A44-K48 WeakPolarHBondContact O-CB 3.42Å; A44-K48 PolarHBondContact O-N 3.03Å; N45-K48 PolarHBondContact O-N 2.96Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 3.47Å; K48-K51 PolarHBondContact O-N 2.99Å; K48-M52 PolarHBondContact O-N 3.45Å
49K98.1Very high97.7Very high150 Ų150108.2 Ų108.265%0.65255%0.549SS*.Hα-helixtrans-64.5-43.7177.8-73.6-179.4-179.4-176.70111.8N45 G46 M52 L53N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.12Å; G46-K49 PolarHBondContact O-N 3Å; G46-K49 VanDerWaalsContact O-N 3.17Å; K49-M52 PolarHBondContact O-N 3.4Å; K49-L53 WeakPolarHBondContact O-CG 3.4Å; K49-L53 PolarHBondContact O-N 3.15Å
50V98.1Very high97.8Very high82 Ų82105.7 Ų105.750%0.49753%0.534SS..Hα-helixtrans-61.2-46.4176.8171.70000110.7G46 E47 M52 L53 L54G46-V50 WeakPolarHBondContact O-CG2 3.47Å; G46-V50 PolarHBondContact O-N 2.87Å; E47-V50 PolarHBondContact O-N 3.17Å; V50-M52 VanDerWaalsContact C-N 3.3Å; V50-M52 PolarHBondContact O-N 2.9Å; V50-L53 PolarHBondContact O-N 3.01Å; V50-L54 HydrophobicContact CG1-CD1 4.01Å; V50-L54 HydrophobicContact CG1-CG 4.39Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 2.91Å
51K98.1Very high97.8Very high146 Ų146103.4 Ų103.464%0.63553%0.53SS*.Hα-helixtrans-59.2-40175.6-74.8175.5-178.21730112.4E47 K48 K55E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.3Å; K48-K51 PolarHBondContact O-N 2.99Å; K51-K55 PolarHBondContact O-N 3.01Å; K51-K55 VanDerWaalsContact O-N 3.13Å
52M98Very high97.9Very high137 Ų137106.3 Ų106.368%0.67553%0.533SS*.Hα-helixtrans-66.4-44.7177.2-169.6173.7-171.700111.9K48 K49 V50 K55 V56K48-M52 PolarHBondContact O-N 3.45Å; K49-M52 PolarHBondContact O-N 3.4Å; V50-M52 VanDerWaalsContact C-N 3.3Å; V50-M52 PolarHBondContact O-N 2.9Å; M52-K55 WeakPolarHBondContact O-CB 3.46Å; M52-K55 PolarHBondContact O-N 2.93Å; M52-V56 WeakPolarHBondContact O-CG2 3.42Å; M52-V56 PolarHBondContact O-N 3.41Å
53L98.2Very high98Very high110 Ų110108.5 Ų108.558%0.57653%0.532SS*.Hα-helixtrans-62.1-43.8176.5-74.1172000111.9K49 V50 K55 V56 I57K49-L53 WeakPolarHBondContact O-CG 3.4Å; K49-L53 PolarHBondContact O-N 3.15Å; V50-L53 PolarHBondContact O-N 3.01Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.32Å; L53-V56 PolarHBondContact O-N 3.3Å; L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.29Å; L53-I57 PolarHBondContact O-N 3.47Å
54L98.2Very high98Very high109 Ų109107.3 Ų107.357%0.57153%0.528SS*.Hα-helixtrans-60.2-38176.2-72.9172.7000112.2V50 K58V50-L54 HydrophobicContact CG1-CD1 4.01Å; V50-L54 HydrophobicContact CG1-CG 4.39Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 2.91Å; L54-K58 WeakPolarHBondContact O-CB 3.4Å; L54-K58 PolarHBondContact O-N 2.92Å
55K98.3Very high98Very high138 Ų138107.7 Ų107.760%0.653%0.525SS*.Hα-helixtrans-63.8-48.1174.3-173.3-177.1175.6-174.50111.5K51 M52 L53 I57 K58 D59K51-K55 PolarHBondContact O-N 3.01Å; K51-K55 VanDerWaalsContact O-N 3.13Å; M52-K55 WeakPolarHBondContact O-CB 3.46Å; M52-K55 PolarHBondContact O-N 2.93Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.32Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-I57 PolarHBondContact O-N 3.16Å; K55-K58 PolarHBondContact O-N 3.46Å; K55-D59 PolarHBondContact O-N 3.2Å
56V98.2Very high98.1Very high84 Ų84107.6 Ų107.651%0.50952%0.524SS..Hα-helixtrans-60.5-43.7178.3172.90000111.4M52 L53 K58 D59 E60M52-V56 WeakPolarHBondContact O-CG2 3.42Å; M52-V56 PolarHBondContact O-N 3.41Å; L53-V56 PolarHBondContact O-N 3.3Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 3.41Å; V56-D59 PolarHBondContact O-N 3.44Å; V56-E60 VanDerWaalsContact O-CB 3.27Å; V56-E60 WeakPolarHBondContact O-CB 3.45Å; V56-E60 PolarHBondContact O-N 2.95Å
57I98.1Very high98.1Very high111 Ų111110.7 Ų110.757%0.56953%0.531SS*.Hα-helixtrans-61.4-42.7177-69.4167.1000110.8L53 K55 E60 S61L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.29Å; L53-I57 PolarHBondContact O-N 3.47Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-I57 PolarHBondContact O-N 3.16Å; I57-E60 PolarHBondContact O-N 3.45Å; I57-S61 VanDerWaalsContact O-CB 3.26Å; I57-S61 WeakPolarHBondContact O-CB 3.5Å; I57-S61 PolarHBondContact O-N 3.41Å
58K98.2Very high98.1Very high154 Ų154111.6 Ų111.667%0.6754%0.535SS*.Hα-helixtrans-65.2-43.3178-173.5178.8-179.91790112.1L54 K55 V56 R62L54-K58 WeakPolarHBondContact O-CB 3.4Å; L54-K58 PolarHBondContact O-N 2.92Å; K55-K58 PolarHBondContact O-N 3.46Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 3.41Å; K58-R62 WeakPolarHBondContact O-CB 3.36Å; K58-R62 PolarHBondContact O-N 2.67Å
59D98.2Very high98.1Very high86 Ų86108.9 Ų108.946%0.4653%0.525SS..Hα-helixtrans-65.6-41.3178.4-69.1-19.2000110.9K55 V56 R62 R63K55-D59 PolarHBondContact O-N 3.2Å; V56-D59 PolarHBondContact O-N 3.44Å; D59-R62 PolarHBondContact O-N 3.38Å; D59-R63 WeakPolarHBondContact O-CB 3.41Å; D59-R63 PolarHBondContact O-N 3.29Å
60E98.3Very high98.1Very high67 Ų67105.3 Ų105.331%0.31352%0.519SS..Hα-helixtrans-68-43.9176.9178.856.3-159.200112.4V56 I57 R62 R63 Q64V56-E60 VanDerWaalsContact O-CB 3.27Å; V56-E60 WeakPolarHBondContact O-CB 3.45Å; V56-E60 PolarHBondContact O-N 2.95Å; I57-E60 PolarHBondContact O-N 3.45Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.08Å; E60-R63 VanDerWaalsContact CD-NH2 3.27Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.39Å; E60-R63 VanDerWaalsContact O-N 3.12Å; E60-R63 IonicContact OE1-CZ 3.37Å; E60-R63 IonicContact OE1-NE 2.8Å; E60-R63 IonicContact OE1-NH2 3.1Å; E60-R63 PolarHBondContact OE1-NH2 3.47Å; E60-R63 IonicContact OE2-CZ 2.98Å; E60-R63 IonicContact OE2-NE 2.65Å; E60-R63 PolarHBondContact OE2-NE 3.15Å; E60-R63 IonicContact OE2-NH2 3.51Å; E60-R63 PolarHBondContact OE2-NH2 3.41Å; E60-R63 VanDerWaalsContact OE2-NH2 3.1Å; E60-Q64 WeakPolarHBondContact O-CG 3.31Å; E60-Q64 PolarHBondContact O-N 2.94Å; E60-Q64 PolarHBondContact OE1-NE2 3.04Å
61S98.1Very high98Very high63 Ų63105 Ų10544%0.44151%0.513SS..Hα-helixtrans-58.6-44174.6171.80000111.3I57 R63 Q64 T65I57-S61 VanDerWaalsContact O-CB 3.26Å; I57-S61 WeakPolarHBondContact O-CB 3.5Å; I57-S61 PolarHBondContact O-N 3.41Å; S61-R63 VanDerWaalsContact C-N 3.34Å; S61-R63 PolarHBondContact O-N 2.9Å; S61-Q64 PolarHBondContact O-N 2.86Å; S61-T65 PolarHBondContact O-N 3.24Å; S61-T65 VanDerWaalsContact O-N 3.07Å; S61-T65 PolarHBondContact O-OG1 3.36Å
62R98.2Very high97.9Very high176 Ų176103.9 Ų103.966%0.66451%0.512SS*.Hα-helixtrans-61.4-42.4174.4-177.5-178.2179.4-175.10.5111.9K58 D59 E60 Q64 T65 L66K58-R62 WeakPolarHBondContact O-CB 3.36Å; K58-R62 PolarHBondContact O-N 2.67Å; D59-R62 PolarHBondContact O-N 3.38Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.08Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; R62-T65 PolarHBondContact O-N 3.39Å; R62-L66 HydrophobicContact CG-CD1 4.34Å; R62-L66 WeakPolarHBondContact O-CG 3.31Å; R62-L66 PolarHBondContact O-N 3.46Å; R62-L66 VanDerWaalsContact O-N 3.08Å
63R98.1Very high97.8Very high130 Ų130102.6 Ų102.649%0.49151%0.508SS..Hα-helixtrans-62.9-40.2178.4-169.7-174.669.880.8-1.1111.5D59 E60 S61 L66 M67D59-R63 WeakPolarHBondContact O-CB 3.41Å; D59-R63 PolarHBondContact O-N 3.29Å; E60-R63 VanDerWaalsContact CD-NH2 3.27Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.39Å; E60-R63 VanDerWaalsContact O-N 3.12Å; E60-R63 IonicContact OE1-CZ 3.37Å; E60-R63 IonicContact OE1-NE 2.8Å; E60-R63 IonicContact OE1-NH2 3.1Å; E60-R63 PolarHBondContact OE1-NH2 3.47Å; E60-R63 IonicContact OE2-CZ 2.98Å; E60-R63 IonicContact OE2-NE 2.65Å; E60-R63 PolarHBondContact OE2-NE 3.15Å; E60-R63 IonicContact OE2-NH2 3.51Å; E60-R63 PolarHBondContact OE2-NH2 3.41Å; E60-R63 VanDerWaalsContact OE2-NH2 3.1Å; S61-R63 VanDerWaalsContact C-N 3.34Å; S61-R63 PolarHBondContact O-N 2.9Å; R63-L66 PolarHBondContact O-N 2.92Å; R63-M67 WeakPolarHBondContact O-CB 3.37Å; R63-M67 PolarHBondContact O-N 2.96Å
64Q98.3Very high97.8Very high84 Ų8499.6 Ų99.639%0.39350%0.496SS..Hα-helixtrans-63.5-47176.5-72.6175.84.500111.4E60 S61 R62 L66 M67 E68E60-Q64 WeakPolarHBondContact O-CG 3.31Å; E60-Q64 PolarHBondContact O-N 2.94Å; E60-Q64 PolarHBondContact OE1-NE2 3.04Å; S61-Q64 PolarHBondContact O-N 2.86Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3Å; Q64-M67 WeakPolarHBondContact O-CB 3.37Å; Q64-M67 PolarHBondContact O-N 3.14Å; Q64-M67 VanDerWaalsContact O-N 3.1Å; Q64-E68 WeakPolarHBondContact O-CG 3.35Å; Q64-E68 PolarHBondContact O-N 3.05Å
65T97.8Very high97.7Very high61 Ų6199.8 Ų99.837%0.37449%0.494SS..Hα-helixtrans-58.2-45.7175.9-54.20000112.2S61 R62 M67 E68 E69S61-T65 PolarHBondContact O-N 3.24Å; S61-T65 VanDerWaalsContact O-N 3.07Å; S61-T65 PolarHBondContact O-OG1 3.36Å; R62-T65 PolarHBondContact O-N 3.39Å; T65-M67 VanDerWaalsContact C-N 3.28Å; T65-M67 PolarHBondContact O-N 3Å; T65-E68 PolarHBondContact O-N 3.22Å; T65-E69 WeakPolarHBondContact O-CG 3.38Å; T65-E69 PolarHBondContact O-N 2.69Å
66L97.5Very high97.6Very high93 Ų9396.2 Ų96.249%0.48749%0.487SS..Hα-helixtrans-63.5-34.9177.1-69.3172.7000112.6R62 R63 Q64 S70R62-L66 HydrophobicContact CG-CD1 4.34Å; R62-L66 WeakPolarHBondContact O-CG 3.31Å; R62-L66 PolarHBondContact O-N 3.46Å; R62-L66 VanDerWaalsContact O-N 3.08Å; R63-L66 PolarHBondContact O-N 2.92Å; Q64-L66 PolarHBondContact O-N 3Å; L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.43Å
67M98.3Very high97.5Very high96 Ų9694.3 Ų94.347%0.47348%0.477SS..Hα-helixtrans-69.3-44.2176.5-172.6178.377.700111.2R63 Q64 T65 S70 I71R63-M67 WeakPolarHBondContact O-CB 3.37Å; R63-M67 PolarHBondContact O-N 2.96Å; Q64-M67 WeakPolarHBondContact O-CB 3.37Å; Q64-M67 PolarHBondContact O-N 3.14Å; Q64-M67 VanDerWaalsContact O-N 3.1Å; T65-M67 VanDerWaalsContact C-N 3.28Å; T65-M67 PolarHBondContact O-N 3Å; M67-S70 WeakPolarHBondContact O-CB 3.42Å; M67-S70 PolarHBondContact O-N 3.45Å; M67-I71 HydrophobicContact CG-CD1 4.04Å; M67-I71 VanDerWaalsContact O-CG1 3.28Å; M67-I71 WeakPolarHBondContact O-CG1 3.29Å; M67-I71 PolarHBondContact O-N 3.02Å
68E97.7Very high97.5Very high111 Ų11194.7 Ų94.752%0.51948%0.475SS..Hα-helixtrans-60.2-46.7175.4-72.3171.4175.900111.3Q64 T65 S70 I71 M72Q64-E68 WeakPolarHBondContact O-CG 3.35Å; Q64-E68 PolarHBondContact O-N 3.05Å; T65-E68 PolarHBondContact O-N 3.22Å; E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 3.41Å; E68-I71 PolarHBondContact O-N 3.34Å; E68-M72 WeakPolarHBondContact O-CG 3.38Å; E68-M72 PolarHBondContact O-N 2.88Å
69E97.4Very high97.5Very high99 Ų9992.3 Ų92.346%0.46347%0.466SS..Hα-helixtrans-58.5-43.7174.2-73.5173.9-177.100111.6T65 M72 N73T65-E69 WeakPolarHBondContact O-CG 3.38Å; T65-E69 PolarHBondContact O-N 2.69Å; E69-M72 PolarHBondContact O-N 2.9Å; E69-N73 WeakPolarHBondContact O-CB 3.41Å; E69-N73 PolarHBondContact O-N 3.23Å; E69-N73 PolarHBondContact O-ND2 3Å; E69-N73 VanDerWaalsContact O-ND2 3.14Å
70S98Very high97.4Very high74 Ų7493.8 Ų93.852%0.51747%0.47SS..Hα-helixtrans-64-40.4176.9-175.30000112.4L66 M67 E68 S74L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.43Å; M67-S70 WeakPolarHBondContact O-CB 3.42Å; M67-S70 PolarHBondContact O-N 3.45Å; E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 3.41Å; S70-S74 WeakPolarHBondContact O-CB 3.44Å; S70-S74 PolarHBondContact O-N 3.31Å; S70-S74 PolarHBondContact O-OG 3.34Å
71I97.1Very high97.4Very high75 Ų7596.3 Ų96.339%0.38548%0.477SS..Hα-helixtrans-64.3-51.3177.2-70.2165000109.2M67 E68 N73 S74 E75M67-I71 HydrophobicContact CG-CD1 4.04Å; M67-I71 VanDerWaalsContact O-CG1 3.28Å; M67-I71 WeakPolarHBondContact O-CG1 3.29Å; M67-I71 PolarHBondContact O-N 3.02Å; E68-I71 PolarHBondContact O-N 3.34Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-N73 PolarHBondContact O-N 3.05Å; I71-S74 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-OG 3.08Å; I71-E75 HydrophobicContact CG2-CG 4.26Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.31Å
72M95.8Very high97.4Very high123 Ų123100.9 Ų100.961%0.60649%0.485SS*.Hα-helixtrans-58.1-42.8178.8-73.518051.100113.1E68 E69 S74 E75 S76E68-M72 WeakPolarHBondContact O-CG 3.38Å; E68-M72 PolarHBondContact O-N 2.88Å; E69-M72 PolarHBondContact O-N 2.9Å; M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.96Å; M72-E75 PolarHBondContact O-N 3.5Å; M72-S76 WeakPolarHBondContact O-CB 3.44Å; M72-S76 PolarHBondContact O-N 2.92Å; M72-S76 PolarHBondContact O-OG 3.43Å
73N96.3Very high97.4Very high110 Ų110100.6 Ų100.659%0.58848%0.483SS*.Hα-helixtrans-65.5-37.6176.3-72.6-25.9000111.8E69 I71 S76 S77E69-N73 WeakPolarHBondContact O-CB 3.41Å; E69-N73 PolarHBondContact O-N 3.23Å; E69-N73 PolarHBondContact O-ND2 3Å; E69-N73 VanDerWaalsContact O-ND2 3.14Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-N73 PolarHBondContact O-N 3.05Å; N73-S76 WeakPolarHBondContact CA-OG 3.5Å; N73-S76 PolarHBondContact O-OG 2.8Å; N73-S77 WeakPolarHBondContact O-CB 3.43Å; N73-S77 PolarHBondContact O-N 3.46Å
74S97.1Very high97.4Very high47 Ų4798.2 Ų98.233%0.32948%0.481SS..Hα-helixtrans-69.4-43.8176.775.40000111.9S70 I71 M72 S77 F78S70-S74 WeakPolarHBondContact O-CB 3.44Å; S70-S74 PolarHBondContact O-N 3.31Å; S70-S74 PolarHBondContact O-OG 3.34Å; I71-S74 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-OG 3.08Å; M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.96Å; S74-S77 PolarHBondContact O-N 2.94Å; S74-F78 WeakPolarHBondContact O-CD2 3.43Å; S74-F78 PolarHBondContact O-N 3.39Å
75E97.4Very high97.4Very high113 Ų113100.2 Ų100.253%0.52849%0.492SS..Hα-helixtrans-61.3-50.5178.9-74.5-179.216300110.8I71 M72 S77 F78 E79I71-E75 HydrophobicContact CG2-CG 4.26Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.31Å; M72-E75 PolarHBondContact O-N 3.5Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.35Å; E75-F78 PolarHBondContact O-N 3.2Å; E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 2.87Å
76S96.5Very high97.4Very high63 Ų63104.5 Ų104.544%0.44151%0.505SS..Hα-helixtrans-56.5-43.7176.252.30000112.5M72 N73 F78 E79 E80M72-S76 WeakPolarHBondContact O-CB 3.44Å; M72-S76 PolarHBondContact O-N 2.92Å; M72-S76 PolarHBondContact O-OG 3.43Å; N73-S76 WeakPolarHBondContact CA-OG 3.5Å; N73-S76 PolarHBondContact O-OG 2.8Å; S76-F78 PolarHBondContact O-N 3.5Å; S76-E79 PolarHBondContact O-N 2.9Å; S76-E80 WeakPolarHBondContact O-CB 3.33Å; S76-E80 PolarHBondContact O-N 3.38Å
77S96.5Very high97.4Very high45 Ų45106.5 Ų106.532%0.31551%0.512SS..Hα-helixtrans-63.7-37174.6175.90000113.5N73 S74 E75 R81N73-S77 WeakPolarHBondContact O-CB 3.43Å; N73-S77 PolarHBondContact O-N 3.46Å; S74-S77 PolarHBondContact O-N 2.94Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.35Å; S77-R81 WeakPolarHBondContact O-CB 3.39Å; S77-R81 WeakPolarHBondContact O-CG 3.41Å; S77-R81 PolarHBondContact O-N 2.94Å; S77-R81 VanDerWaalsContact O-N 3.11Å; S77-R81 PolarHBondContact O-NE 3.39Å; S77-R81 VanDerWaalsContact O-NE 3.15Å; S77-R81 PolarHBondContact OG-NE 3.32Å; S77-R81 PolarHBondContact OG-NH2 2.95Å
78F97.5Very high97.4Very high119 Ų119105.7 Ų105.752%0.52251%0.512SS..Hα-helixtrans-70.8-38.3175.1-77.4-62.6000111.8S74 E75 S76 R81 R82S74-F78 WeakPolarHBondContact O-CD2 3.43Å; S74-F78 PolarHBondContact O-N 3.39Å; E75-F78 PolarHBondContact O-N 3.2Å; S76-F78 PolarHBondContact O-N 3.5Å; F78-R81 VanDerWaalsContact CD1-NH2 3.28Å; F78-R82 VanDerWaalsContact O-CB 3.27Å; F78-R82 WeakPolarHBondContact O-CB 3.44Å; F78-R82 PolarHBondContact O-N 3.49Å
79E97.3Very high97.4Very high103 Ų103104.4 Ų104.448%0.48151%0.508SS..Hα-helixtrans-67.2-39.1177.5-68.4-154.8129.400112.9E75 S76 R82 R83E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 2.87Å; S76-E79 PolarHBondContact O-N 2.9Å; E79-R82 PolarHBondContact O-N 2.88Å; E79-R82 IonicContact OE1-NH2 3.99Å; E79-R82 PolarHBondContact OE1-NH2 3.21Å; E79-R83 PolarHBondContact O-N 2.73Å
80E97.4Very high97.4Very high118 Ų118102.8 Ų102.855%0.55151%0.505SS*.Hα-helixtrans-62.5-52.9172.6-174.2173.7-153.200110.6S76 R82 R83 D84S76-E80 WeakPolarHBondContact O-CB 3.33Å; S76-E80 PolarHBondContact O-N 3.38Å; E80-R82 VanDerWaalsContact C-N 3.27Å; E80-R82 PolarHBondContact O-N 2.95Å; E80-R83 WeakPolarHBondContact O-CA 3.32Å; E80-R83 VanDerWaalsContact O-CB 3.3Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-D84 PolarHBondContact O-N 3.4Å
81R97.4Very high97.3Very high120 Ų120101 Ų10145%0.45350%0.495SS..Hα-helixtrans-56.5-40.3175.6-78.8-178-77.7173.5-5.9112.8S77 F78 R83 D84 M85S77-R81 WeakPolarHBondContact O-CB 3.39Å; S77-R81 WeakPolarHBondContact O-CG 3.41Å; S77-R81 PolarHBondContact O-N 2.94Å; S77-R81 VanDerWaalsContact O-N 3.11Å; S77-R81 PolarHBondContact O-NE 3.39Å; S77-R81 VanDerWaalsContact O-NE 3.15Å; S77-R81 PolarHBondContact OG-NE 3.32Å; S77-R81 PolarHBondContact OG-NH2 2.95Å; F78-R81 VanDerWaalsContact CD1-NH2 3.28Å; R81-R83 VanDerWaalsContact C-N 3.31Å; R81-R83 PolarHBondContact O-N 2.99Å; R81-D84 PolarHBondContact O-N 3.21Å; R81-M85 WeakPolarHBondContact O-CB 3.4Å; R81-M85 VanDerWaalsContact O-CG 3.27Å; R81-M85 WeakPolarHBondContact O-CG 3.35Å; R81-M85 PolarHBondContact O-N 2.9Å
82R97.9Very high97.3Very high158 Ų158102 Ų10260%0.59650%0.501SS*.Hα-helixtrans-62.3-39.3175.7-178.4-176.264.2-171.8-8.2111.4F78 E79 E80 K86F78-R82 VanDerWaalsContact O-CB 3.27Å; F78-R82 WeakPolarHBondContact O-CB 3.44Å; F78-R82 PolarHBondContact O-N 3.49Å; E79-R82 PolarHBondContact O-N 2.88Å; E79-R82 IonicContact OE1-NH2 3.99Å; E79-R82 PolarHBondContact OE1-NH2 3.21Å; E80-R82 VanDerWaalsContact C-N 3.27Å; E80-R82 PolarHBondContact O-N 2.95Å; R82-K86 WeakPolarHBondContact O-CB 3.47Å; R82-K86 PolarHBondContact O-N 2.94Å; R82-K86 VanDerWaalsContact O-N 3.09Å
83R98.2Very high97.3Very high170 Ų170101.8 Ų101.864%0.64250%0.498SS*.Hα-helixtrans-65.4-48.7176.7-170.9-174.7-601673.7110.8E79 E80 R81 M85 K86 E87E79-R83 PolarHBondContact O-N 2.73Å; E80-R83 WeakPolarHBondContact O-CA 3.32Å; E80-R83 VanDerWaalsContact O-CB 3.3Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.41Å; R81-R83 VanDerWaalsContact C-N 3.31Å; R81-R83 PolarHBondContact O-N 2.99Å; R83-M85 VanDerWaalsContact C-N 3.35Å; R83-M85 PolarHBondContact O-N 3.47Å; R83-K86 WeakPolarHBondContact O-CB 3.24Å; R83-K86 PolarHBondContact O-N 3.49Å; R83-K86 VanDerWaalsContact O-N 3.13Å; R83-E87 PolarHBondContact O-N 3.38Å
84D98.1Very high97.3Very high81 Ų81100.8 Ų100.843%0.43349%0.493SS..Hα-helixtrans-61.9-42.3-179.8-64.2-11.9000112.1E80 R81 E87 T88E80-D84 PolarHBondContact O-N 3.4Å; R81-D84 PolarHBondContact O-N 3.21Å; D84-E87 PolarHBondContact O-N 3.4Å; D84-T88 WeakPolarHBondContact O-CB 3.33Å; D84-T88 PolarHBondContact O-N 3.49Å; D84-T88 PolarHBondContact O-OG1 2.85Å
85M98.2Very high97.3Very high126 Ų126107.3 Ų107.362%0.62151%0.51SS*.Hα-helixtrans-61.7-44.7174.8-75.3-179.970.900111.2R81 R83 T88 I89R81-M85 WeakPolarHBondContact O-CB 3.4Å; R81-M85 VanDerWaalsContact O-CG 3.27Å; R81-M85 WeakPolarHBondContact O-CG 3.35Å; R81-M85 PolarHBondContact O-N 2.9Å; R83-M85 VanDerWaalsContact C-N 3.35Å; R83-M85 PolarHBondContact O-N 3.47Å; M85-T88 PolarHBondContact O-N 2.94Å; M85-I89 WeakPolarHBondContact O-CB 3.31Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 VanDerWaalsContact O-CG1 3.22Å; M85-I89 WeakPolarHBondContact O-CG1 3.22Å; M85-I89 PolarHBondContact O-N 3Å
86K98.3Very high97.2Very high150 Ų150106.3 Ų106.365%0.65251%0.512SS*.Hα-helixtrans-61.8-45178.2-174.7-178.1177.7-175.90111.2R82 R83 I89 V90R82-K86 WeakPolarHBondContact O-CB 3.47Å; R82-K86 PolarHBondContact O-N 2.94Å; R82-K86 VanDerWaalsContact O-N 3.09Å; R83-K86 WeakPolarHBondContact O-CB 3.24Å; R83-K86 PolarHBondContact O-N 3.49Å; R83-K86 VanDerWaalsContact O-N 3.13Å; K86-I89 PolarHBondContact O-N 2.89Å; K86-V90 WeakPolarHBondContact O-CG2 3.44Å; K86-V90 PolarHBondContact O-N 3.27Å
87E97.5Very high97.3Very high135 Ų135109 Ų10963%0.63152%0.517SS*.Hα-helixtrans-62.9-43.7177.8-173.4172.1177.400111.8R83 D84 I89 V90 A91R83-E87 PolarHBondContact O-N 3.38Å; D84-E87 PolarHBondContact O-N 3.4Å; E87-I89 PolarHBondContact O-N 2.87Å; E87-V90 PolarHBondContact O-N 3.44Å; E87-A91 WeakPolarHBondContact O-CB 3.28Å; E87-A91 PolarHBondContact O-N 3.25Å
88T97.9Very high97.3Very high79 Ų79111.3 Ų111.349%0.48553%0.529SS..Hα-helixtrans-62.1-42.8176.4-57.90000111.8D84 M85 A91 L92D84-T88 WeakPolarHBondContact O-CB 3.33Å; D84-T88 PolarHBondContact O-N 3.49Å; D84-T88 PolarHBondContact O-OG1 2.85Å; M85-T88 PolarHBondContact O-N 2.94Å; T88-A91 PolarHBondContact O-N 3.13Å; T88-L92 HydrophobicContact CG2-CD1 4.01Å; T88-L92 HydrophobicContact CG2-CG 4.41Å; T88-L92 WeakPolarHBondContact O-CB 3.3Å; T88-L92 VanDerWaalsContact O-CG 3.28Å; T88-L92 WeakPolarHBondContact O-CG 3.42Å; T88-L92 PolarHBondContact O-N 3.4Å
89I97.2Very high97.2Very high85 Ų85108 Ų10844%0.43652%0.524SS..Hα-helixtrans-61.9-47.4177.7-72.1165.1000110.6M85 K86 E87 L92 Q93M85-I89 WeakPolarHBondContact O-CB 3.31Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 VanDerWaalsContact O-CG1 3.22Å; M85-I89 WeakPolarHBondContact O-CG1 3.22Å; M85-I89 PolarHBondContact O-N 3Å; K86-I89 PolarHBondContact O-N 2.89Å; E87-I89 PolarHBondContact O-N 2.87Å; I89-L92 PolarHBondContact O-N 3.45Å; I89-Q93 HydrophobicContact CG2-CG 4.35Å; I89-Q93 WeakPolarHBondContact O-CB 3.32Å; I89-Q93 VanDerWaalsContact O-CG 3.3Å; I89-Q93 WeakPolarHBondContact O-CG 3.43Å; I89-Q93 PolarHBondContact O-N 2.89Å
90V97.2Very high97.3Very high64 Ų64107.9 Ų107.939%0.38853%0.526SS..Hα-helixtrans-60.7-47.6178.3171.90000110.4K86 E87 L92 Q93 D94K86-V90 WeakPolarHBondContact O-CG2 3.44Å; K86-V90 PolarHBondContact O-N 3.27Å; E87-V90 PolarHBondContact O-N 3.44Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.32Å; V90-Q93 PolarHBondContact O-N 3.44Å; V90-Q93 VanDerWaalsContact O-N 3.17Å; V90-D94 PolarHBondContact O-N 2.95Å
91A96.3Very high97.3Very high38 Ų38107 Ų10731%0.31453%0.525SS..Hα-helixtrans-61.1-37.9178.500000113.1E87 T88 R95E87-A91 WeakPolarHBondContact O-CB 3.28Å; E87-A91 PolarHBondContact O-N 3.25Å; T88-A91 PolarHBondContact O-N 3.13Å; A91-R95 WeakPolarHBondContact O-CB 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.42Å; A91-R95 PolarHBondContact O-N 2.94Å; A91-R95 VanDerWaalsContact O-N 3.13Å
92L97.4Very high97.3Very high96 Ų96104.9 Ų104.950%0.50353%0.525SS..Hα-helixtrans-70-40.1175.5-73.8173.6000112.1T88 I89 V90 T96T88-L92 HydrophobicContact CG2-CD1 4.01Å; T88-L92 HydrophobicContact CG2-CG 4.41Å; T88-L92 WeakPolarHBondContact O-CB 3.3Å; T88-L92 VanDerWaalsContact O-CG 3.28Å; T88-L92 WeakPolarHBondContact O-CG 3.42Å; T88-L92 PolarHBondContact O-N 3.4Å; I89-L92 PolarHBondContact O-N 3.45Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.32Å; L92-T96 VanDerWaalsContact O-CB 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 PolarHBondContact O-N 3.46Å; L92-T96 PolarHBondContact O-OG1 3.17Å
93Q96.8Very high97.3Very high118 Ų118102.1 Ų102.155%0.55152%0.522SS*.Hα-helixtrans-62.9-47.5176.1-76.1176.3-24.600111I89 V90 R95 T96 Q97I89-Q93 HydrophobicContact CG2-CG 4.35Å; I89-Q93 WeakPolarHBondContact O-CB 3.32Å; I89-Q93 VanDerWaalsContact O-CG 3.3Å; I89-Q93 WeakPolarHBondContact O-CG 3.43Å; I89-Q93 PolarHBondContact O-N 2.89Å; V90-Q93 PolarHBondContact O-N 3.44Å; V90-Q93 VanDerWaalsContact O-N 3.17Å; Q93-R95 PolarHBondContact O-N 2.94Å; Q93-T96 PolarHBondContact O-N 3.34Å; Q93-Q97 VanDerWaalsContact O-CB 3.31Å; Q93-Q97 WeakPolarHBondContact O-CB 3.37Å; Q93-Q97 PolarHBondContact O-N 2.82Å
94D96.5Very high97.3Very high89 Ų8998.4 Ų98.448%0.47652%0.515SS..Hα-helixtrans-59.8-47.4178.3-71.5-17.9000111.5V90 T96 Q97 V98V90-D94 PolarHBondContact O-N 2.95Å; D94-T96 VanDerWaalsContact C-N 3.35Å; D94-T96 PolarHBondContact O-N 2.71Å; D94-Q97 PolarHBondContact O-N 3.42Å; D94-V98 WeakPolarHBondContact O-CG2 3.45Å; D94-V98 PolarHBondContact O-N 3.29Å
95R95.9Very high97.3Very high183 Ų183103.2 Ų103.269%0.69153%0.527SS*.Hα-helixtrans-60.7-44.3177.1-74.3173.7-175.4-176.93.6112A91 Q93 V98 A99A91-R95 WeakPolarHBondContact O-CB 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.42Å; A91-R95 PolarHBondContact O-N 2.94Å; A91-R95 VanDerWaalsContact O-N 3.13Å; Q93-R95 PolarHBondContact O-N 2.94Å; R95-V98 PolarHBondContact O-N 3.32Å; R95-A99 WeakPolarHBondContact O-CB 3.28Å; R95-A99 PolarHBondContact O-N 3.05Å
96T96.4Very high97.3Very high93 Ų93101.4 Ų101.457%0.57152%0.523SS*.Hα-helixtrans-66.3-40.9179.7-55.40000110.9L92 Q93 D94 A99 L100L92-T96 VanDerWaalsContact O-CB 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 PolarHBondContact O-N 3.46Å; L92-T96 PolarHBondContact O-OG1 3.17Å; Q93-T96 PolarHBondContact O-N 3.34Å; D94-T96 VanDerWaalsContact C-N 3.35Å; D94-T96 PolarHBondContact O-N 2.71Å; T96-A99 PolarHBondContact O-N 3.37Å; T96-L100 VanDerWaalsContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.82Å
97Q97.4Very high97.3Very high118 Ų11899.6 Ų99.655%0.55152%0.519SS*.Hα-helixtrans-63.6-45.6177.2-177.8174.2-14.100111.5Q93 D94 L100 L101Q93-Q97 VanDerWaalsContact O-CB 3.31Å; Q93-Q97 WeakPolarHBondContact O-CB 3.37Å; Q93-Q97 PolarHBondContact O-N 2.82Å; D94-Q97 PolarHBondContact O-N 3.42Å; Q97-L100 PolarHBondContact O-N 2.89Å; Q97-L101 HydrophobicContact CG-CD1 3.91Å; Q97-L101 HydrophobicContact CG-CG 4.38Å; Q97-L101 WeakPolarHBondContact O-CB 3.22Å; Q97-L101 VanDerWaalsContact O-CG 3.24Å; Q97-L101 WeakPolarHBondContact O-CG 3.3Å; Q97-L101 PolarHBondContact O-N 3.37Å
98V96.5Very high97.3Very high94 Ų9497.5 Ų97.557%0.5751%0.513SS*.Hα-helixtrans-61.5-45.5176.2171.80000111.1D94 R95 L101 T102D94-V98 WeakPolarHBondContact O-CG2 3.45Å; D94-V98 PolarHBondContact O-N 3.29Å; R95-V98 PolarHBondContact O-N 3.32Å; V98-L101 PolarHBondContact O-N 2.92Å; V98-T102 WeakPolarHBondContact O-CB 3.47Å; V98-T102 PolarHBondContact O-N 3.43Å; V98-T102 PolarHBondContact O-OG1 2.95Å
99A96.3Very high97.3Very high49 Ų4998.4 Ų98.441%0.40551%0.514SS..Hα-helixtrans-62-4517800000111.7R95 T96 T102 N103R95-A99 WeakPolarHBondContact O-CB 3.28Å; R95-A99 PolarHBondContact O-N 3.05Å; T96-A99 PolarHBondContact O-N 3.37Å; A99-T102 PolarHBondContact O-N 2.96Å; A99-N103 WeakPolarHBondContact O-CB 3.41Å; A99-N103 PolarHBondContact O-N 2.89Å; A99-N103 PolarHBondContact O-ND2 3.4Å
100L97.7Very high97.4Very high102 Ų102102.6 Ų102.653%0.53453%0.525SS..Hα-helixtrans-63.8-47.5178.7-177.264000111.7T96 Q97 T102 N103 L104T96-L100 VanDerWaalsContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.82Å; Q97-L100 PolarHBondContact O-N 2.89Å; L100-T102 VanDerWaalsContact C-N 3.29Å; L100-T102 PolarHBondContact O-N 3.42Å; L100-N103 PolarHBondContact O-N 2.92Å; L100-L104 HydrophobicContact CD1-CD1 4.45Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 2.94Å
101L97.6Very high97.4Very high100 Ų100107.3 Ų107.352%0.52454%0.536SS..Hα-helixtrans-62.1-38.9177.8-72.3173.6000111.8Q97 V98 L104 R105Q97-L101 HydrophobicContact CG-CD1 3.91Å; Q97-L101 HydrophobicContact CG-CG 4.38Å; Q97-L101 WeakPolarHBondContact O-CB 3.22Å; Q97-L101 VanDerWaalsContact O-CG 3.24Å; Q97-L101 WeakPolarHBondContact O-CG 3.3Å; Q97-L101 PolarHBondContact O-N 3.37Å; V98-L101 PolarHBondContact O-N 2.92Å; L101-L104 PolarHBondContact O-N 3.13Å; L101-R105 WeakPolarHBondContact O-CB 3.41Å; L101-R105 PolarHBondContact O-N 3.09Å
102T98Very high97.5Very high75 Ų75108.7 Ų108.746%0.4654%0.54SS..Hα-helixtrans-63.7-47.6175.8-57.40000111V98 A99 L100 L104 R105 V106V98-T102 WeakPolarHBondContact O-CB 3.47Å; V98-T102 PolarHBondContact O-N 3.43Å; V98-T102 PolarHBondContact O-OG1 2.95Å; A99-T102 PolarHBondContact O-N 2.96Å; L100-T102 VanDerWaalsContact C-N 3.29Å; L100-T102 PolarHBondContact O-N 3.42Å; T102-L104 PolarHBondContact O-N 3.23Å; T102-R105 WeakPolarHBondContact O-CB 3.34Å; T102-R105 PolarHBondContact O-N 3.02Å; T102-V106 WeakPolarHBondContact O-CG2 3.48Å; T102-V106 PolarHBondContact O-N 2.98Å
103N98Very high97.5Very high100 Ų100108.6 Ų108.654%0.53554%0.54SS..Hα-helixtrans-62.4-43.7177.2-74.3-20.2000112.1A99 L100 R105 V106 L107A99-N103 WeakPolarHBondContact O-CB 3.41Å; A99-N103 PolarHBondContact O-N 2.89Å; A99-N103 PolarHBondContact O-ND2 3.4Å; L100-N103 PolarHBondContact O-N 2.92Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.46Å; N103-V106 PolarHBondContact O-N 2.97Å; N103-L107 WeakPolarHBondContact O-CG 3.46Å; N103-L107 PolarHBondContact O-N 3.11Å
104L98Very high97.5Very high92 Ų92107.5 Ų107.548%0.48254%0.537SS..Hα-helixtrans-59.9-40.6175.2-74.2173.2000111.5L100 L101 T102 L107 N108L100-L104 HydrophobicContact CD1-CD1 4.45Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 2.94Å; L101-L104 PolarHBondContact O-N 3.13Å; T102-L104 PolarHBondContact O-N 3.23Å; L104-L107 PolarHBondContact O-N 2.96Å; L104-N108 VanDerWaalsContact O-CB 3.32Å; L104-N108 WeakPolarHBondContact O-CB 3.27Å; L104-N108 PolarHBondContact O-N 3.47Å
105R97.9Very high97.6Very high181 Ų181106.7 Ų106.768%0.68353%0.533SS*.Hα-helixtrans-62.7-44.4175-173.9178.8-176.4173.10.5112L101 T102 N103 N108 N109L101-R105 WeakPolarHBondContact O-CB 3.41Å; L101-R105 PolarHBondContact O-N 3.09Å; T102-R105 WeakPolarHBondContact O-CB 3.34Å; T102-R105 PolarHBondContact O-N 3.02Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.46Å; R105-N108 PolarHBondContact O-N 3.47Å; R105-N109 WeakPolarHBondContact O-CB 3.44Å; R105-N109 VanDerWaalsContact O-CG 3.25Å; R105-N109 PolarHBondContact O-N 2.88Å; R105-N109 PolarHBondContact O-OD1 3.47Å
106V98Very high97.7Very high88 Ų88102.1 Ų102.153%0.53352%0.522SS..Hα-helixtrans-61.7-45.7176.8172.40000111T102 N103 N108 N109 R110T102-V106 WeakPolarHBondContact O-CG2 3.48Å; T102-V106 PolarHBondContact O-N 2.98Å; N103-V106 PolarHBondContact O-N 2.97Å; V106-N108 PolarHBondContact O-N 2.9Å; V106-N109 PolarHBondContact O-N 3.22Å; V106-R110 WeakPolarHBondContact O-CB 3.44Å; V106-R110 PolarHBondContact O-N 3.15Å
107L98Very high97.8Very high112 Ų112103 Ų10359%0.58652%0.518SS*.Hα-helixtrans-62.5-42.4177-71.6174.5000111.8N103 L104 R110 R111N103-L107 WeakPolarHBondContact O-CG 3.46Å; N103-L107 PolarHBondContact O-N 3.11Å; L104-L107 PolarHBondContact O-N 2.96Å; L107-R110 PolarHBondContact O-N 3.31Å; L107-R111 WeakPolarHBondContact O-CB 3.27Å; L107-R111 PolarHBondContact O-N 2.89Å
108N98.2Very high97.8Very high92 Ų92102.1 Ų102.149%0.49252%0.515SS..Hα-helixtrans-63.4-46.2177.5-166.338.9000111.4L104 R105 V106 R110 R111 T112L104-N108 VanDerWaalsContact O-CB 3.32Å; L104-N108 WeakPolarHBondContact O-CB 3.27Å; L104-N108 PolarHBondContact O-N 3.47Å; R105-N108 PolarHBondContact O-N 3.47Å; V106-N108 PolarHBondContact O-N 2.9Å; N108-R110 VanDerWaalsContact C-N 3.32Å; N108-R110 PolarHBondContact O-N 3.33Å; N108-R111 WeakPolarHBondContact O-CB 3.39Å; N108-R111 PolarHBondContact O-N 3.06Å; N108-T112 PolarHBondContact O-N 3.19Å; N108-T112 PolarHBondContact O-OG1 3.01Å; N108-T112 VanDerWaalsContact O-OG1 3.08Å
109N98Very high97.8Very high97 Ų97103.9 Ų103.952%0.51952%0.518SS..Hα-helixtrans-60.2-41.7175.7-70.4-7.4000112R105 V106 T112 L113R105-N109 WeakPolarHBondContact O-CB 3.44Å; R105-N109 VanDerWaalsContact O-CG 3.25Å; R105-N109 PolarHBondContact O-N 2.88Å; R105-N109 PolarHBondContact O-OD1 3.47Å; V106-N109 PolarHBondContact O-N 3.22Å; N109-T112 PolarHBondContact O-N 3.3Å; N109-L113 PolarHBondContact O-N 2.84Å
110R98.2Very high97.8Very high173 Ų173107.8 Ų107.865%0.65353%0.528SS*.Hα-helixtrans-64.9-40.5177.3-174.1172.8-178.9171.5-0.1111.6V106 L107 N108 L113 L114V106-R110 WeakPolarHBondContact O-CB 3.44Å; V106-R110 PolarHBondContact O-N 3.15Å; L107-R110 PolarHBondContact O-N 3.31Å; N108-R110 VanDerWaalsContact C-N 3.32Å; N108-R110 PolarHBondContact O-N 3.33Å; R110-L113 PolarHBondContact O-N 3.14Å; R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.5Å
111R98.1Very high97.7Very high164 Ų164108.4 Ų108.462%0.61953%0.531SS*.Hα-helixtrans-59.1-50.6172.7179.9-173.3173.1178.42110.6L107 N108 L113 L114 D115L107-R111 WeakPolarHBondContact O-CB 3.27Å; L107-R111 PolarHBondContact O-N 2.89Å; N108-R111 WeakPolarHBondContact O-CB 3.39Å; N108-R111 PolarHBondContact O-N 3.06Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.47Å; R111-L114 WeakPolarHBondContact O-CB 3.33Å; R111-L114 PolarHBondContact O-N 3.05Å; R111-D115 IonicContact NE-OD2 2.94Å; R111-D115 PolarHBondContact O-N 3.46Å
112T97.8Very high97.7Very high67 Ų67106.5 Ų106.541%0.41153%0.526SS..Hα-helixtrans-57.3-41.4177.5-54.60000112.2N108 N109 L114 D115 L116N108-T112 PolarHBondContact O-N 3.19Å; N108-T112 PolarHBondContact O-OG1 3.01Å; N108-T112 VanDerWaalsContact O-OG1 3.08Å; N109-T112 PolarHBondContact O-N 3.3Å; T112-L114 PolarHBondContact O-N 3.35Å; T112-D115 PolarHBondContact O-N 2.9Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 2.71Å
113L97.9Very high97.6Very high94 Ų94104.2 Ų104.249%0.49252%0.517SS..Hα-helixtrans-64-39.9175.7-179.563.6000112.4N109 R110 R111 L116 K117N109-L113 PolarHBondContact O-N 2.84Å; R110-L113 PolarHBondContact O-N 3.14Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.47Å; L113-L116 PolarHBondContact O-N 2.94Å; L113-K117 WeakPolarHBondContact O-CG 2.99Å; L113-K117 PolarHBondContact O-N 3.01Å
114L98Very high97.6Very high94 Ų94104 Ų10449%0.49252%0.515SS..Hα-helixtrans-64.6-42.3174.8-71.6171.8000111.2R110 R111 T112 L116 K117 I118R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.5Å; R111-L114 WeakPolarHBondContact O-CB 3.33Å; R111-L114 PolarHBondContact O-N 3.05Å; T112-L114 PolarHBondContact O-N 3.35Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.4Å; L114-K117 PolarHBondContact O-N 3.21Å; L114-I118 VanDerWaalsContact O-CG1 3.29Å; L114-I118 WeakPolarHBondContact O-CG1 3.5Å; L114-I118 PolarHBondContact O-N 2.87Å
115D98.2Very high97.4Very high73 Ų73102.4 Ų102.439%0.3952%0.515SS..Hα-helixtrans-59.4-43.7176.4-66.8-28.1000111R111 T112 I118 Q119R111-D115 IonicContact NE-OD2 2.94Å; R111-D115 PolarHBondContact O-N 3.46Å; T112-D115 PolarHBondContact O-N 2.9Å; D115-I118 PolarHBondContact O-N 2.85Å; D115-Q119 WeakPolarHBondContact O-CG 3.38Å; D115-Q119 PolarHBondContact O-N 3.01Å
116L97.8Very high97.4Very high87 Ų87100.5 Ų100.546%0.45551%0.514SS..Hα-helixtrans-62.2-45.1174.9-70172.2000112.3T112 L113 L114 I118 Q119 E120T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 2.71Å; L113-L116 PolarHBondContact O-N 2.94Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.4Å; L116-I118 VanDerWaalsContact C-N 3.31Å; L116-I118 PolarHBondContact O-N 2.93Å; L116-Q119 WeakPolarHBondContact O-CB 3.38Å; L116-Q119 PolarHBondContact O-N 3.37Å; L116-Q119 VanDerWaalsContact O-N 3.14Å; L116-E120 PolarHBondContact O-N 3.16Å
117K97.6Very high97.3Very high111 Ų111103.2 Ų103.248%0.48352%0.519SS..Hα-helixtrans-63.1-37.5176.9-75.2-175.3175.5-169.50112.5L113 L114 Q119 E120 L121L113-K117 WeakPolarHBondContact O-CG 2.99Å; L113-K117 PolarHBondContact O-N 3.01Å; L114-K117 PolarHBondContact O-N 3.21Å; K117-Q119 VanDerWaalsContact C-N 3.31Å; K117-E120 PolarHBondContact O-N 3.41Å; K117-L121 WeakPolarHBondContact O-CB 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.34Å; K117-L121 PolarHBondContact O-N 3.3Å
118I97.3Very high97.2Very high99 Ų99103.4 Ų103.451%0.50852%0.52SS..Hα-helixtrans-63.2-40.7174.8-70.8166000110.1L114 D115 L116 S122L114-I118 VanDerWaalsContact O-CG1 3.29Å; L114-I118 WeakPolarHBondContact O-CG1 3.5Å; L114-I118 PolarHBondContact O-N 2.87Å; D115-I118 PolarHBondContact O-N 2.85Å; L116-I118 VanDerWaalsContact C-N 3.31Å; L116-I118 PolarHBondContact O-N 2.93Å; I118-S122 VanDerWaalsContact O-CB 3.29Å; I118-S122 WeakPolarHBondContact O-CB 3.39Å; I118-S122 PolarHBondContact O-N 3.08Å; I118-S122 PolarHBondContact O-OG 3.1Å
119Q97Very high97.1Very high132 Ų132101.8 Ų101.862%0.61752%0.516SS*.Hα-helixtrans-63.5-44.6175.1-70.8176.3-8.700112D115 L116 K117 S122 G123D115-Q119 WeakPolarHBondContact O-CG 3.38Å; D115-Q119 PolarHBondContact O-N 3.01Å; L116-Q119 WeakPolarHBondContact O-CB 3.38Å; L116-Q119 PolarHBondContact O-N 3.37Å; L116-Q119 VanDerWaalsContact O-N 3.14Å; K117-Q119 VanDerWaalsContact C-N 3.31Å; Q119-S122 WeakPolarHBondContact O-CB 3.28Å; Q119-S122 PolarHBondContact O-N 2.88Å; Q119-G123 PolarHBondContact O-N 3.25Å
120E96.2Very high97Very high131 Ų131103.6 Ų103.661%0.61252%0.519SS*.Hα-helixtrans-60.3-48.5176-71.9176.6175.500112.2L116 K117 S122 G123 L124L116-E120 PolarHBondContact O-N 3.16Å; K117-E120 PolarHBondContact O-N 3.41Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.42Å; E120-G123 PolarHBondContact O-N 3.07Å; E120-G123 VanDerWaalsContact O-N 3.16Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 3.39Å
121L96.4Very high96.8Very high114 Ų11499.4 Ų99.460%0.59751%0.509SS*.Hα-helixtrans-62.1-37.9177-72.8173.2000111.7K117 L124 A125K117-L121 WeakPolarHBondContact O-CB 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.34Å; K117-L121 PolarHBondContact O-N 3.3Å; L121-L124 PolarHBondContact O-N 3.46Å; L121-A125 WeakPolarHBondContact O-CB 3.39Å; L121-A125 PolarHBondContact O-N 3.06Å
122S97.3Very high96.6Very high60 Ų6094.5 Ų94.542%0.4250%0.5SS..Hα-helixtrans-63.8-41.2174.9-59.40000111.4I118 Q119 E120 A125 Q126I118-S122 VanDerWaalsContact O-CB 3.29Å; I118-S122 WeakPolarHBondContact O-CB 3.39Å; I118-S122 PolarHBondContact O-N 3.08Å; I118-S122 PolarHBondContact O-OG 3.1Å; Q119-S122 WeakPolarHBondContact O-CB 3.28Å; Q119-S122 PolarHBondContact O-N 2.88Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.42Å; S122-A125 PolarHBondContact O-N 3.45Å; S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.3Å
123G96Very high96.4Very high27 Ų2798.1 Ų98.128%0.27851%0.51SS..Hα-helixtrans-64.2-40.4173.700000113.3Q119 E120 Q126 K127Q119-G123 PolarHBondContact O-N 3.25Å; E120-G123 PolarHBondContact O-N 3.07Å; E120-G123 VanDerWaalsContact O-N 3.16Å; G123-Q126 PolarHBondContact O-N 3Å; G123-K127 WeakPolarHBondContact O-CG 3.42Å; G123-K127 PolarHBondContact O-N 3.01Å; G123-K127 VanDerWaalsContact O-N 3.12Å
124L96.9Very high96.2Very high96 Ų9697.6 Ų97.650%0.50351%0.505SS..Hα-helixtrans-65.4-43174.3-71.3173.6000112E120 L121 Q126 K127 L128E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 3.39Å; L121-L124 PolarHBondContact O-N 3.46Å; L124-Q126 VanDerWaalsContact C-N 3.31Å; L124-Q126 PolarHBondContact O-N 2.89Å; L124-K127 PolarHBondContact O-N 3.47Å; L124-L128 PolarHBondContact O-N 3.48Å
125A95.6Very high95.9Very high58 Ų5897.1 Ų97.148%0.47950%0.503SS..Hα-helixtrans-60.4-40.3176.300000111.9L121 S122 L128 S129L121-A125 WeakPolarHBondContact O-CB 3.39Å; L121-A125 PolarHBondContact O-N 3.06Å; S122-A125 PolarHBondContact O-N 3.45Å; A125-L128 PolarHBondContact O-N 2.88Å; A125-S129 WeakPolarHBondContact O-CB 3.4Å; A125-S129 PolarHBondContact O-N 3.41Å
126Q96.6Very high95.6Very high142 Ų14297.9 Ų97.966%0.66451%0.506SS*.Hα-helixtrans-63.5-43174.2-73.5175.9-2.700112.5S122 G123 L124 S129 K130S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.3Å; G123-Q126 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact C-N 3.31Å; L124-Q126 PolarHBondContact O-N 2.89Å; Q126-S129 WeakPolarHBondContact O-CB 3.38Å; Q126-S129 PolarHBondContact O-N 3Å; Q126-K130 PolarHBondContact O-N 3.12Å
127K96Very high95.2Very high144 Ų14498.8 Ų98.863%0.62651%0.508SS*.Hα-helixtrans-62.5-45.6175.7-71.8176.6-177.6179.30112G123 L124 S129 K130 I131G123-K127 WeakPolarHBondContact O-CG 3.42Å; G123-K127 PolarHBondContact O-N 3.01Å; G123-K127 VanDerWaalsContact O-N 3.12Å; L124-K127 PolarHBondContact O-N 3.47Å; K127-S129 VanDerWaalsContact C-N 3.32Å; K127-S129 PolarHBondContact O-N 3.45Å; K127-K130 WeakPolarHBondContact O-CB 3.49Å; K127-K130 PolarHBondContact O-N 3.21Å; K127-I131 WeakPolarHBondContact O-CG1 3.49Å; K127-I131 PolarHBondContact O-N 2.86Å
128L95.5Very high94.7Very high116 Ų11697.8 Ų97.861%0.60751%0.507SS*.Hα-helixtrans-61.7-40.8175.8-75.5171000111.7L124 A125 K130 I131 S132L124-L128 PolarHBondContact O-N 3.48Å; A125-L128 PolarHBondContact O-N 2.88Å; L128-K130 VanDerWaalsContact C-N 3.31Å; L128-K130 PolarHBondContact O-N 3.1Å; L128-I131 PolarHBondContact O-N 2.94Å; L128-S132 WeakPolarHBondContact O-CB 3.26Å; L128-S132 PolarHBondContact O-N 3.35Å
129S96.1Very high94.1Very high58 Ų58102 Ų10241%0.40652%0.516SS..Hα-helixtrans-60.6-40.7174.5-175.60000111.8A125 Q126 K127 S132 K133A125-S129 WeakPolarHBondContact O-CB 3.4Å; A125-S129 PolarHBondContact O-N 3.41Å; Q126-S129 WeakPolarHBondContact O-CB 3.38Å; Q126-S129 PolarHBondContact O-N 3Å; K127-S129 VanDerWaalsContact C-N 3.32Å; K127-S129 PolarHBondContact O-N 3.45Å; S129-S132 PolarHBondContact O-N 3.25Å; S129-K133 WeakPolarHBondContact O-CG 3.27Å; S129-K133 PolarHBondContact O-N 2.65Å
130K95.9Very high93.4Very high135 Ų135100.8 Ų100.859%0.58751%0.511SS*.Hα-helixtrans-62.3-49.4175.4-166.7-173.3-179.2-1580111.9Q126 K127 L128 S132 K133 E134Q126-K130 PolarHBondContact O-N 3.12Å; K127-K130 WeakPolarHBondContact O-CB 3.49Å; K127-K130 PolarHBondContact O-N 3.21Å; L128-K130 VanDerWaalsContact C-N 3.31Å; L128-K130 PolarHBondContact O-N 3.1Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.13Å; K130-K133 PolarHBondContact O-N 2.8Å; K130-E134 WeakPolarHBondContact CE-OE1 3.35Å; K130-E134 IonicContact NZ-OE1 3.64Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 2.88Å
131I94.2Very high92.7Very high85 Ų8599.5 Ų99.544%0.43650%0.504SS..Hα-helixtrans-59.7-41.2176.6-66.4167.3000110.9K127 L128 K133 E134 N135K127-I131 WeakPolarHBondContact O-CG1 3.49Å; K127-I131 PolarHBondContact O-N 2.86Å; L128-I131 PolarHBondContact O-N 2.94Å; I131-K133 PolarHBondContact O-N 3.33Å; I131-E134 PolarHBondContact O-N 2.92Å; I131-N135 WeakPolarHBondContact O-CB 3.34Å; I131-N135 PolarHBondContact O-N 2.94Å; I131-N135 PolarHBondContact O-ND2 3.26Å
132S93.9Very high91.8Very high62 Ų6297.7 Ų97.743%0.43450%0.498SS..Hα-helixtrans-60.7-43.7176.9174.70000111.8L128 S129 K130 N135 I136L128-S132 WeakPolarHBondContact O-CB 3.26Å; L128-S132 PolarHBondContact O-N 3.35Å; S129-S132 PolarHBondContact O-N 3.25Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.13Å; S132-N135 PolarHBondContact O-N 3.46Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.3Å; S132-I136 PolarHBondContact O-N 3.04Å
133K94.3Very high90.8Very high142 Ų142103.2 Ų103.262%0.61752%0.515SS*.Hα-helixtrans-64.7-45.6175.8-71.4178.1-178.3-176.20112.3S129 K130 I131 N135 I136 Q137S129-K133 WeakPolarHBondContact O-CG 3.27Å; S129-K133 PolarHBondContact O-N 2.65Å; K130-K133 PolarHBondContact O-N 2.8Å; I131-K133 PolarHBondContact O-N 3.33Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-N135 PolarHBondContact O-N 2.92Å; K133-I136 PolarHBondContact O-N 3.23Å; K133-Q137 PolarHBondContact O-N 2.92Å
134E93.7Very high89.8Confident84 Ų84109.4 Ų109.439%0.39354%0.536SS..Hα-helixtrans-58.7-44.3175.7-71.3168.8-175.100110.9K130 I131 I136 Q137 I138K130-E134 WeakPolarHBondContact CE-OE1 3.35Å; K130-E134 IonicContact NZ-OE1 3.64Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 2.88Å; I131-E134 PolarHBondContact O-N 2.92Å; E134-I136 PolarHBondContact O-N 3.19Å; E134-Q137 PolarHBondContact O-N 3.45Å; E134-I138 WeakPolarHBondContact O-CG1 3.26Å; E134-I138 PolarHBondContact O-N 3.05Å
135N91.2Very high88.3Confident83 Ų83107.3 Ų107.344%0.44453%0.53SS..Hα-helixtrans-63.9-37175.9-80.2-31.1000113.3I131 S132 K133 R139I131-N135 WeakPolarHBondContact O-CB 3.34Å; I131-N135 PolarHBondContact O-N 2.94Å; I131-N135 PolarHBondContact O-ND2 3.26Å; S132-N135 PolarHBondContact O-N 3.46Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-N135 PolarHBondContact O-N 2.92Å; N135-R139 WeakPolarHBondContact O-CB 3.41Å; N135-R139 VanDerWaalsContact O-CG 3.23Å; N135-R139 WeakPolarHBondContact O-CG 3.46Å; N135-R139 PolarHBondContact O-N 3.12Å
136I92.1Very high86.4Confident89 Ų89113.5 Ų113.546%0.45655%0.549SS..Hα-helixtrans-64.5-44.2174.2-70.7163.8000109.9S132 K133 E134 R139 Q140S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.3Å; S132-I136 PolarHBondContact O-N 3.04Å; K133-I136 PolarHBondContact O-N 3.23Å; E134-I136 PolarHBondContact O-N 3.19Å; I136-R139 PolarHBondContact O-N 3.39Å; I136-Q140 WeakPolarHBondContact O-CG 3.46Å; I136-Q140 PolarHBondContact O-N 3.36Å
137Q90.3Very high84.4Confident106 Ų106113.8 Ų113.850%0.49555%0.55SS.*Hα-helixtrans-62.7-47.3177.9-174-178.8-16.700111.6K133 E134 R139 Q140 E141K133-Q137 PolarHBondContact O-N 2.92Å; E134-Q137 PolarHBondContact O-N 3.45Å; Q137-R139 VanDerWaalsContact C-N 3.28Å; Q137-R139 PolarHBondContact O-N 3.43Å; Q137-Q140 CarbonylContact O-C 3.59Å; Q137-Q140 WeakPolarHBondContact O-CA 3.35Å; Q137-Q140 WeakPolarHBondContact O-CB 3.43Å; Q137-Q140 PolarHBondContact O-N 2.89Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 3.43Å; Q137-E141 WeakPolarHBondContact O-CG 3.3Å; Q137-E141 PolarHBondContact O-N 3.17Å
138I86.9Confident82.5Confident90 Ų90108.8 Ų108.846%0.46253%0.532SS..Hα-helixtrans-58.3-42175.2-66.9164.4000110.6E134 Q140 E141 V142E134-I138 WeakPolarHBondContact O-CG1 3.26Å; E134-I138 PolarHBondContact O-N 3.05Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 3.36Å; I138-E141 PolarHBondContact O-N 2.84Å; I138-V142 HydrophobicContact CG2-CG2 4.38Å; I138-V142 WeakPolarHBondContact O-CB 3.45Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 2.88Å
139R83.3Confident80.7Confident187 Ų187108.9 Ų108.971%0.70654%0.537SS*.Hα-helixtrans-64.6-32.5175.7-75.5174.2-179.1-125.83.4112.7N135 I136 Q137 K143N135-R139 WeakPolarHBondContact O-CB 3.41Å; N135-R139 VanDerWaalsContact O-CG 3.23Å; N135-R139 WeakPolarHBondContact O-CG 3.46Å; N135-R139 PolarHBondContact O-N 3.12Å; I136-R139 PolarHBondContact O-N 3.39Å; Q137-R139 VanDerWaalsContact C-N 3.28Å; Q137-R139 PolarHBondContact O-N 3.43Å; R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 WeakPolarHBondContact O-CG 3.37Å; R139-K143 PolarHBondContact O-N 3.43Å; R139-K143 VanDerWaalsContact O-N 3.13Å
140Q82.4Confident78.9Confident107 Ų107109.6 Ų109.650%0.554%0.542SS..Hα-helixtrans-70.8-47.8173.4-74.4173.9-26.100110.9I136 Q137 I138 V142 K143 E144I136-Q140 WeakPolarHBondContact O-CG 3.46Å; I136-Q140 PolarHBondContact O-N 3.36Å; Q137-Q140 CarbonylContact O-C 3.59Å; Q137-Q140 WeakPolarHBondContact O-CA 3.35Å; Q137-Q140 WeakPolarHBondContact O-CB 3.43Å; Q137-Q140 PolarHBondContact O-N 2.89Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 3.36Å; Q140-V142 VanDerWaalsContact C-N 3.29Å; Q140-V142 PolarHBondContact O-N 3.36Å; Q140-K143 CarbonylContact O-C 3.59Å; Q140-K143 WeakPolarHBondContact O-CA 3.37Å; Q140-K143 WeakPolarHBondContact O-CB 3.39Å; Q140-K143 PolarHBondContact O-N 2.98Å; Q140-E144 WeakPolarHBondContact O-CG 3.35Å; Q140-E144 PolarHBondContact O-N 3.02Å
141E81.8Confident77.3Confident104 Ų104109.9 Ų109.949%0.48654%0.544SS..Hα-helixtrans-56.9-42.2176-70.4171.4-170.300111.6Q137 I138 E144 S145Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 3.43Å; Q137-E141 WeakPolarHBondContact O-CG 3.3Å; Q137-E141 PolarHBondContact O-N 3.17Å; I138-E141 PolarHBondContact O-N 2.84Å; E141-E144 PolarHBondContact O-N 2.83Å; E141-S145 PolarHBondContact O-N 3.03Å
142V78.2Confident76Confident76 Ų76110.2 Ų110.246%0.46155%0.546SS..Hα-helixtrans-67.1-34.7174.7172.30000112.4I138 Q140 S145 P148I138-V142 HydrophobicContact CG2-CG2 4.38Å; I138-V142 WeakPolarHBondContact O-CB 3.45Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 2.88Å; Q140-V142 VanDerWaalsContact C-N 3.29Å; Q140-V142 PolarHBondContact O-N 3.36Å; V142-S145 PolarHBondContact O-OG 3.43Å; V142-P148 HydrophobicContact CG1-CB 4.39Å
143K75.9Confident74.8Confident177 Ų177113.7 Ų113.777%0.7756%0.555SS**Hα-helixtrans-71.8-34.6175.1-82-177.7177.4-170.40112.7R139 Q140R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 WeakPolarHBondContact O-CG 3.37Å; R139-K143 PolarHBondContact O-N 3.43Å; R139-K143 VanDerWaalsContact O-N 3.13Å; Q140-K143 CarbonylContact O-C 3.59Å; Q140-K143 WeakPolarHBondContact O-CA 3.37Å; Q140-K143 WeakPolarHBondContact O-CB 3.39Å; Q140-K143 PolarHBondContact O-N 2.98Å
144E75.3Confident73.7Confident156 Ų156108.6 Ų108.673%0.72954%0.542SS*.Hα-helixtrans-78-26.4178.8-72.1177.4-173.100112.2Q140 E141 E146Q140-E144 WeakPolarHBondContact O-CG 3.35Å; Q140-E144 PolarHBondContact O-N 3.02Å; E141-E144 PolarHBondContact O-N 2.83Å; E144-E146 PolarHBondContact O-N 3.14Å
145S64.7Low72.7Confident52 Ų52108.3 Ų108.336%0.36454%0.543SS..SBendtrans-65.9117.7162.370.80000108.4E141 V142 E147 P148E141-S145 PolarHBondContact O-N 3.03Å; V142-S145 PolarHBondContact O-OG 3.43Å; S145-E147 PolarHBondContact O-N 2.83Å; S145-P148 WeakPolarHBondContact O-CD 3.41Å
146E56.2Low71.9Confident189 Ų189105.5 Ų105.588%0.88353%0.527SS*.SBendtrans-75.56.8176.2-72.4-176157.600113E144 P148E144-E146 PolarHBondContact O-N 3.14Å; E146-P148 VanDerWaalsContact C-CD 3.42Å
147E54.2Low71.1Confident148 Ų148104.9 Ų104.969%0.69253%0.531SS*.  trans-93.6-5.5-178.5-68.4-170.7160.700118.9S145 V149 S150 F151S145-E147 PolarHBondContact O-N 2.83Å; E147-V149 PolarHBondContact O-N 3.21Å; E147-S150 WeakPolarHBondContact CA-OG 3.42Å; E147-S150 PolarHBondContact O-N 2.92Å; E147-S150 PolarHBondContact O-OG 2.73Å; E147-F151 WeakPolarHBondContact O-CB 3.41Å; E147-F151 PolarHBondContact O-N 3.04Å
148P56.1Low70.8Confident39 Ų39104.2 Ų104.225%0.25354%0.538SS..Hα-helixtrans-72.3-32-175.827.2-32.9000112.1V142 S145 E146 I152V142-P148 HydrophobicContact CG1-CB 4.39Å; S145-P148 WeakPolarHBondContact O-CD 3.41Å; E146-P148 VanDerWaalsContact C-CD 3.42Å; P148-I152 WeakPolarHBondContact O-CB 3.47Å; P148-I152 VanDerWaalsContact O-CG1 3.23Å; P148-I152 WeakPolarHBondContact O-CG1 3.47Å; P148-I152 PolarHBondContact O-N 2.96Å
149V57.1Low70.4Confident118 Ų118102.3 Ų102.372%0.71553%0.528SS*.Hα-helixtrans-69.8-40.8177-175.60000110.4E147 H153E147-V149 PolarHBondContact O-N 3.21Å; V149-H153 WeakPolarHBondContact O-CB 3.31Å; V149-H153 PolarHBondContact O-N 3.47Å
150S59.9Low70.4Confident72 Ų7297.4 Ų97.450%0.50352%0.521SS..Hα-helixtrans-69.9-39.2178.253.90000112.2E147 H153 G154E147-S150 WeakPolarHBondContact CA-OG 3.42Å; E147-S150 PolarHBondContact O-N 2.92Å; E147-S150 PolarHBondContact O-OG 2.73Å; S150-H153 PolarHBondContact O-N 3.46Å; S150-G154 PolarHBondContact O-N 2.98Å
151F62.2Low70.2Confident142 Ų14296.5 Ų96.562%0.62352%0.517SS*.Hα-helixtrans-66.6-47.6175.6-178.3-103.2000112.4E147 H153 G154 I155E147-F151 WeakPolarHBondContact O-CB 3.41Å; E147-F151 PolarHBondContact O-N 3.04Å; F151-H153 VanDerWaalsContact C-N 3.33Å; F151-H153 PolarHBondContact O-N 3.5Å; F151-G154 PolarHBondContact O-N 3.27Å; F151-I155 HydrophobicContact CD1-CD1 3.9Å; F151-I155 HydrophobicContact CE1-CD1 3.26Å; F151-I155 HydrophobicContact CE1-CG1 4.27Å; F151-I155 HydrophobicContact CE2-CD1 4.17Å; F151-I155 HydrophobicContact CZ-CD1 3.43Å; F151-I155 VanDerWaalsContact CZ-CD1 3.43Å; F151-I155 HydrophobicContact CZ-CG1 4.25Å; F151-I155 PolarHBondContact O-N 3.45Å
152I66.9Low69.9Low92 Ų9296.7 Ų96.747%0.47253%0.527SS..Hα-helixtrans-62.8-43.2176.2-67.5172.5000109.7P148 G154 I155 M156P148-I152 WeakPolarHBondContact O-CB 3.47Å; P148-I152 VanDerWaalsContact O-CG1 3.23Å; P148-I152 WeakPolarHBondContact O-CG1 3.47Å; P148-I152 PolarHBondContact O-N 2.96Å; I152-G154 VanDerWaalsContact C-N 3.31Å; I152-G154 PolarHBondContact O-N 3.49Å; I152-I155 PolarHBondContact O-N 2.89Å; I152-M156 HydrophobicContact CG2-CG 4.11Å; I152-M156 WeakPolarHBondContact O-CB 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.35Å; I152-M156 PolarHBondContact O-N 3.3Å
153H68.1Low70.1Confident135 Ų13597.8 Ų97.863%0.62553%0.53SS*.Hα-helixtrans-62.3-37.8175.8-166.876.7000112.3V149 S150 F151 M156 S157V149-H153 WeakPolarHBondContact O-CB 3.31Å; V149-H153 PolarHBondContact O-N 3.47Å; S150-H153 PolarHBondContact O-N 3.46Å; F151-H153 VanDerWaalsContact C-N 3.33Å; F151-H153 PolarHBondContact O-N 3.5Å; H153-M156 PolarHBondContact O-N 2.91Å; H153-S157 VanDerWaalsContact O-CB 3.28Å; H153-S157 WeakPolarHBondContact O-CB 3.48Å; H153-S157 PolarHBondContact O-N 2.87Å; H153-S157 PolarHBondContact O-OG 3.45Å
154G71Confident70.4Confident35 Ų3594.4 Ų94.436%0.36151%0.512SS..Hα-helixtrans-63.2-45.317400000113.4S150 F151 I152 S157 S158S150-G154 PolarHBondContact O-N 2.98Å; F151-G154 PolarHBondContact O-N 3.27Å; I152-G154 VanDerWaalsContact C-N 3.31Å; I152-G154 PolarHBondContact O-N 3.49Å; G154-S157 WeakPolarHBondContact CA-OG 3.37Å; G154-S157 PolarHBondContact O-OG 3.46Å; G154-S158 PolarHBondContact O-N 2.85Å; G154-S158 PolarHBondContact O-OG 2.97Å
155I72.1Confident70.8Confident78 Ų7889.9 Ų89.940%0.450%0.498SS..Hα-helixtrans-64-46.6174-68.3179.7000110.4F151 I152 S157 S158 L159F151-I155 HydrophobicContact CD1-CD1 3.9Å; F151-I155 HydrophobicContact CE1-CD1 3.26Å; F151-I155 HydrophobicContact CE1-CG1 4.27Å; F151-I155 HydrophobicContact CE2-CD1 4.17Å; F151-I155 HydrophobicContact CZ-CD1 3.43Å; F151-I155 VanDerWaalsContact CZ-CD1 3.43Å; F151-I155 HydrophobicContact CZ-CG1 4.25Å; F151-I155 PolarHBondContact O-N 3.45Å; I152-I155 PolarHBondContact O-N 2.89Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 2.94Å; I155-S158 PolarHBondContact O-N 3.22Å; I155-S158 PolarHBondContact O-OG 3.38Å; I155-L159 HydrophobicContact CG2-CD1 4.47Å; I155-L159 PolarHBondContact O-N 3.44Å
156M75.8Confident71.7Confident24 Ų2490 Ų9012%0.11850%0.502CS..Hα-helixtrans-64.3-35-178.7-68.9-57.2-73.400112.8I152 H153 L159 R164 V167 V168I152-M156 HydrophobicContact CG2-CG 4.11Å; I152-M156 WeakPolarHBondContact O-CB 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.35Å; I152-M156 PolarHBondContact O-N 3.3Å; H153-M156 PolarHBondContact O-N 2.91Å; M156-L159 HydrophobicContact SD-CD1 4.18Å; M156-R164 HydrophobicContact CE-CG 4.08Å; M156-R164 WeakPolarHBondContact CE-O 3.44Å; M156-R164 WeakPolarHBondContact O-CD 3.23Å; M156-R164 VanDerWaalsContact O-CG 3.26Å; M156-R164 WeakPolarHBondContact O-CG 3.48Å; M156-V167 HydrophobicContact CE-CB 4.03Å; M156-V167 HydrophobicContact CE-CG1 3.98Å; M156-V167 HydrophobicContact SD-CB 4Å; M156-V167 HydrophobicContact SD-CG1 3.47Å; M156-V167 WeakPolarHBondContact SD-CG1 3.45Å; M156-V168 HydrophobicContact CE-CB 4.08Å; M156-V168 HydrophobicContact CE-CG2 3.12Å
157S75.9Confident72.9Confident75 Ų7583.7 Ų83.752%0.52448%0.476SS..Hα-helixtrans-74.8-25.2178.452.40000113.9H153 G154 I155H153-S157 VanDerWaalsContact O-CB 3.28Å; H153-S157 WeakPolarHBondContact O-CB 3.48Å; H153-S157 PolarHBondContact O-N 2.87Å; H153-S157 PolarHBondContact O-OG 3.45Å; G154-S157 WeakPolarHBondContact CA-OG 3.37Å; G154-S157 PolarHBondContact O-OG 3.46Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 2.94Å
158S82.2Confident74.3Confident93 Ų9380.3 Ų80.365%0.6547%0.465SS*.Hα-helixtrans-85.4-12.4178.260.80000114.3G154 I155G154-S158 PolarHBondContact O-N 2.85Å; G154-S158 PolarHBondContact O-OG 2.97Å; I155-S158 PolarHBondContact O-N 3.22Å; I155-S158 PolarHBondContact O-OG 3.38Å
159L80Confident75.5Confident49 Ų4983.5 Ų83.526%0.25748%0.477SS..SBendtrans-75.2125.1177.2-77.8165.6000111.1I155 M156 L163 R164 V167I155-L159 HydrophobicContact CG2-CD1 4.47Å; I155-L159 PolarHBondContact O-N 3.44Å; M156-L159 HydrophobicContact SD-CD1 4.18Å; L159-L163 HydrophobicContact CD2-CB 4.3Å; L159-R164 HydrophobicContact CB-CB 3.86Å; L159-R164 HydrophobicContact CB-CG 4.49Å; L159-V167 HydrophobicContact CD1-CB 4.44Å; L159-V167 HydrophobicContact CD1-CG2 4.11Å
160P82.1Confident76.7Confident85 Ų8584.5 Ų84.555%0.55247%0.468SS*.PPolyproline II helixtrans-69.2148.7171.428.2-32.1000110.6L163P160-L163 WeakPolarHBondContact O-CB 3.21Å; P160-L163 PolarHBondContact O-N 2.89Å
161E78.8Confident77.7Confident88 Ų8885 Ų8541%0.41147%0.465SS..THydrogen-bonded Turntrans-67.7144.1169.5-71.5-62.9177.500110.7R164 S165E161-R164 IonicContact OE1-CZ 3.15Å; E161-R164 IonicContact OE1-NE 2.8Å; E161-R164 PolarHBondContact OE1-NE 2.86Å; E161-R164 IonicContact OE1-NH2 2.72Å; E161-R164 PolarHBondContact OE1-NH2 3.5Å; E161-S165 PolarHBondContact OE1-OG 2.84Å; E161-S165 WeakPolarHBondContact OE2-CB 3.44Å; E161-S165 PolarHBondContact OE2-N 3.27Å; E161-S165 PolarHBondContact OE2-OG 2.84Å
162P76Confident78.5Confident107 Ų10786.4 Ų86.470%0.69547%0.468SS*.THydrogen-bonded Turncis-91.55.49.534.8-34.9000115.8R164 S165 A166P162-R164 PolarHBondContact O-N 2.89Å; P162-S165 PolarHBondContact O-N 3.36Å; P162-A166 PolarHBondContact O-N 3.48Å
163L80.7Confident79Confident100 Ų10087.7 Ų87.752%0.52447%0.47SS..Hα-helixtrans-66.4-38.7-172.3-69.7169.1000112.9L159 P160 S165 A166 V167L159-L163 HydrophobicContact CD2-CB 4.3Å; P160-L163 WeakPolarHBondContact O-CB 3.21Å; P160-L163 PolarHBondContact O-N 2.89Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 2.93Å; L163-A166 PolarHBondContact O-N 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.34Å; L163-V167 PolarHBondContact O-N 2.92Å
164R83.5Confident79.3Confident106 Ų10688.1 Ų88.140%0.447%0.466SS..Hα-helixtrans-56.3-49.3176.6-176.2-178.968.9174.51.7110.7M156 L159 E161 P162 A166 V167 V168M156-R164 HydrophobicContact CE-CG 4.08Å; M156-R164 WeakPolarHBondContact CE-O 3.44Å; M156-R164 WeakPolarHBondContact O-CD 3.23Å; M156-R164 VanDerWaalsContact O-CG 3.26Å; M156-R164 WeakPolarHBondContact O-CG 3.48Å; L159-R164 HydrophobicContact CB-CB 3.86Å; L159-R164 HydrophobicContact CB-CG 4.49Å; E161-R164 IonicContact OE1-CZ 3.15Å; E161-R164 IonicContact OE1-NE 2.8Å; E161-R164 PolarHBondContact OE1-NE 2.86Å; E161-R164 IonicContact OE1-NH2 2.72Å; E161-R164 PolarHBondContact OE1-NH2 3.5Å; P162-R164 PolarHBondContact O-N 2.89Å; R164-A166 VanDerWaalsContact C-N 3.32Å; R164-A166 PolarHBondContact O-N 3.35Å; R164-V167 PolarHBondContact O-N 3.45Å; R164-V168 WeakPolarHBondContact O-CG2 3.41Å; R164-V168 PolarHBondContact O-N 3.26Å
165S84.2Confident79.3Confident61 Ų6189 Ų8943%0.42747%0.47SS..Hα-helixtrans-58.4-42.9178.6-62.50000112.3E161 P162 L163 V167 V168 E169E161-S165 PolarHBondContact OE1-OG 2.84Å; E161-S165 WeakPolarHBondContact OE2-CB 3.44Å; E161-S165 PolarHBondContact OE2-N 3.27Å; E161-S165 PolarHBondContact OE2-OG 2.84Å; P162-S165 PolarHBondContact O-N 3.36Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 2.93Å; S165-V167 PolarHBondContact O-N 3.24Å; S165-V168 PolarHBondContact O-N 3.45Å; S165-E169 WeakPolarHBondContact O-CB 3.27Å; S165-E169 PolarHBondContact O-N 3.49Å
166A82.3Confident78.8Confident55 Ų5587 Ų8746%0.45546%0.462SS..Hα-helixtrans-63.2-39177.200000113.2P162 L163 R164 Y170P162-A166 PolarHBondContact O-N 3.48Å; L163-A166 PolarHBondContact O-N 3.23Å; R164-A166 VanDerWaalsContact C-N 3.32Å; R164-A166 PolarHBondContact O-N 3.35Å; A166-Y170 WeakPolarHBondContact O-CB 3.49Å; A166-Y170 PolarHBondContact O-N 2.92Å
167V82.7Confident78.1Confident55 Ų5591.9 Ų91.933%0.33349%0.488SS..Hα-helixtrans-71.5-39.8177.7177.90000111.3M156 L159 L163 R164 S165 E169 Y170 L171M156-V167 HydrophobicContact CE-CB 4.03Å; M156-V167 HydrophobicContact CE-CG1 3.98Å; M156-V167 HydrophobicContact SD-CB 4Å; M156-V167 HydrophobicContact SD-CG1 3.47Å; M156-V167 WeakPolarHBondContact SD-CG1 3.45Å; L159-V167 HydrophobicContact CD1-CB 4.44Å; L159-V167 HydrophobicContact CD1-CG2 4.11Å; L163-V167 WeakPolarHBondContact O-CG2 3.34Å; L163-V167 PolarHBondContact O-N 2.92Å; R164-V167 PolarHBondContact O-N 3.45Å; S165-V167 PolarHBondContact O-N 3.24Å; V167-E169 VanDerWaalsContact C-N 3.34Å; V167-Y170 PolarHBondContact O-N 3.02Å; V167-L171 HydrophobicContact CG1-CD1 4.12Å; V167-L171 HydrophobicContact CG1-CG 4.44Å; V167-L171 WeakPolarHBondContact O-CG 3.48Å; V167-L171 PolarHBondContact O-N 2.95Å
168V82.5Confident77.4Confident78 Ų7894.6 Ų94.647%0.47350%0.497SS..Hα-helixtrans-57.7-49.8172.4176.40000109.7M156 R164 S165 Y170 L171 Y172M156-V168 HydrophobicContact CE-CB 4.08Å; M156-V168 HydrophobicContact CE-CG2 3.12Å; R164-V168 WeakPolarHBondContact O-CG2 3.41Å; R164-V168 PolarHBondContact O-N 3.26Å; S165-V168 PolarHBondContact O-N 3.45Å; V168-Y170 PolarHBondContact O-N 3.39Å; V168-L171 PolarHBondContact O-N 3.35Å; V168-Y172 WeakPolarHBondContact O-CB 3.23Å; V168-Y172 PolarHBondContact O-N 3.22Å
169E82.6Confident76Confident105 Ų10598.7 Ų98.749%0.49151%0.505SS..Hα-helixtrans-62.6-41-178.5-165.5-169.3151.400112S165 V167 Y172 K173S165-E169 WeakPolarHBondContact O-CB 3.27Å; S165-E169 PolarHBondContact O-N 3.49Å; V167-E169 VanDerWaalsContact C-N 3.34Å; E169-Y172 PolarHBondContact O-N 3.46Å; E169-K173 HydrophobicContact CG-CD 4.42Å; E169-K173 WeakPolarHBondContact O-CB 3.49Å; E169-K173 WeakPolarHBondContact O-CG 3.4Å; E169-K173 PolarHBondContact O-N 2.95Å; E169-K173 WeakPolarHBondContact OE1-CE 3.34Å; E169-K173 IonicContact OE1-NZ 2.67Å; E169-K173 PolarHBondContact OE1-NZ 2.94Å
170Y81.7Confident74.3Confident139 Ų13999.2 Ų99.255%0.54552%0.522SS..Hα-helixtrans-61.9-46.2175.1175.4-96.6000112.4A166 V167 V168 Y172 K173 R174A166-Y170 WeakPolarHBondContact O-CB 3.49Å; A166-Y170 PolarHBondContact O-N 2.92Å; V167-Y170 PolarHBondContact O-N 3.02Å; V168-Y170 PolarHBondContact O-N 3.39Å; Y170-Y172 VanDerWaalsContact C-N 3.33Å; Y170-K173 PolarHBondContact O-N 3.08Å; Y170-R174 WeakPolarHBondContact O-CB 3.42Å; Y170-R174 PolarHBondContact O-N 2.96Å
171L81.2Confident72.5Confident82 Ų82102.6 Ų102.643%0.42953%0.531SS..Hα-helixtrans-64.6-39.7178-71.1173.6000111.4V167 V168 R174 A175V167-L171 HydrophobicContact CG1-CD1 4.12Å; V167-L171 HydrophobicContact CG1-CG 4.44Å; V167-L171 WeakPolarHBondContact O-CG 3.48Å; V167-L171 PolarHBondContact O-N 2.95Å; V168-L171 PolarHBondContact O-N 3.35Å; L171-R174 PolarHBondContact O-N 3Å; L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 3.45Å
172Y78.2Confident70.9Confident173 Ų173104.1 Ų104.168%0.67855%0.548SS*.Hα-helixtrans-64.2-50.2175.8-162-89.6000111.4V168 E169 Y170 R174 A175 S176V168-Y172 WeakPolarHBondContact O-CB 3.23Å; V168-Y172 PolarHBondContact O-N 3.22Å; E169-Y172 PolarHBondContact O-N 3.46Å; Y170-Y172 VanDerWaalsContact C-N 3.33Å; Y172-R174 VanDerWaalsContact C-N 3.29Å; Y172-R174 PolarHBondContact O-N 3.41Å; Y172-A175 PolarHBondContact O-N 3.03Å; Y172-A175 VanDerWaalsContact O-N 3.15Å; Y172-S176 PolarHBondContact O-N 3.5Å; Y172-S176 PolarHBondContact O-OG 3Å
173K77.4Confident69.5Low119 Ų119104.4 Ų104.452%0.51755%0.553SS.*Hα-helixtrans-55.9-42.3176.1-82.9174.8169.7164.30112.4E169 Y170 S176 I177E169-K173 HydrophobicContact CG-CD 4.42Å; E169-K173 WeakPolarHBondContact O-CB 3.49Å; E169-K173 WeakPolarHBondContact O-CG 3.4Å; E169-K173 PolarHBondContact O-N 2.95Å; E169-K173 WeakPolarHBondContact OE1-CE 3.34Å; E169-K173 IonicContact OE1-NZ 2.67Å; E169-K173 PolarHBondContact OE1-NZ 2.94Å; Y170-K173 PolarHBondContact O-N 3.08Å; K173-S176 PolarHBondContact O-N 3.48Å; K173-I177 VanDerWaalsContact O-CG1 3.31Å; K173-I177 WeakPolarHBondContact O-CG1 3.46Å; K173-I177 PolarHBondContact O-N 2.9Å; K173-I177 VanDerWaalsContact O-N 3.08Å
174R73.6Confident67.7Low144 Ų144104.7 Ų104.754%0.54356%0.563SS.*Hα-helixtrans-67.5-40.4178.8-165.3-179.5-179.7176.62.1112Y170 L171 Y172 I177 D178Y170-R174 WeakPolarHBondContact O-CB 3.42Å; Y170-R174 PolarHBondContact O-N 2.96Å; L171-R174 PolarHBondContact O-N 3Å; Y172-R174 VanDerWaalsContact C-N 3.29Å; Y172-R174 PolarHBondContact O-N 3.41Å; R174-I177 PolarHBondContact O-N 2.99Å; R174-D178 PolarHBondContact O-N 3.01Å; R174-D178 VanDerWaalsContact O-N 3.15Å
175A71.5Confident65.4Low53 Ų53108 Ų10844%0.43858%0.583SS.*Hα-helixtrans-64-39.9174.200000111.8L171 Y172 I177 D178 E179L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 3.45Å; Y172-A175 PolarHBondContact O-N 3.03Å; Y172-A175 VanDerWaalsContact O-N 3.15Å; A175-I177 PolarHBondContact O-N 2.87Å; A175-D178 PolarHBondContact O-N 2.76Å; A175-E179 PolarHBondContact O-N 3.28Å
176S62.3Low63.3Low36 Ų36113 Ų11325%0.25260%0.604SS.*Hα-helixtrans-64.8-35.4176.1-52.30000113.3Y172 K173 E179 G180 E181Y172-S176 PolarHBondContact O-N 3.5Å; Y172-S176 PolarHBondContact O-OG 3Å; K173-S176 PolarHBondContact O-N 3.48Å; S176-E179 PolarHBondContact O-N 3.06Å; S176-G180 PolarHBondContact O-N 3.46Å; S176-E181 PolarHBondContact O-N 2.97Å
177I61Low61.3Low126 Ų126118.4 Ų118.465%0.64663%0.625SS**Hα-helixtrans-66.3-40.3174-67.8163.7000110.8K173 R174 A175 E179 G180K173-I177 VanDerWaalsContact O-CG1 3.31Å; K173-I177 WeakPolarHBondContact O-CG1 3.46Å; K173-I177 PolarHBondContact O-N 2.9Å; K173-I177 VanDerWaalsContact O-N 3.08Å; R174-I177 PolarHBondContact O-N 2.99Å; A175-I177 PolarHBondContact O-N 2.87Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-G180 PolarHBondContact O-N 3.09Å
178D60.8Low59.1Low133 Ų133123.3 Ų123.371%0.71164%0.644SS**Hα-helixtrans-71.7-27177.8-75.6-17.5000112.2R174 A175R174-D178 PolarHBondContact O-N 3.01Å; R174-D178 VanDerWaalsContact O-N 3.15Å; A175-D178 PolarHBondContact O-N 2.76Å
179E52.6Low56.9Low179 Ų179126.3 Ų126.384%0.83666%0.657SS**Hα-helixtrans-91.8-3.9174.9-67.4-158.7168.300114.9A175 S176 I177A175-E179 PolarHBondContact O-N 3.28Å; S176-E179 PolarHBondContact O-N 3.06Å; I177-E179 VanDerWaalsContact C-N 3.34Å
180G44.3Very low54.5Low59 Ų59131.5 Ų131.561%0.60867%0.672SS**THydrogen-bonded Turntrans82.318.4165.500000116.8S176 I177S176-G180 PolarHBondContact O-N 3.46Å; I177-G180 PolarHBondContact O-N 3.09Å
181E44.5Very low52.7Low157 Ų157136 Ų13673%0.73471%0.706SS**  trans-79.8121.8167.6-79.5-161.9160.900110.7S176 S183S176-E181 PolarHBondContact O-N 2.97Å; E181-S183 PolarHBondContact O-N 3.34Å
182P45.5Very low51.2Low119 Ų119138.7 Ų138.777%0.77372%0.72SS**  trans-73.5116.2-177.728.5-31.4000109.3S184P182-S184 VanDerWaalsContact C-N 3.31Å; P182-S184 PolarHBondContact O-N 3.48Å
183S47.6Very low49.8Very low113 Ų113136.9 Ų136.979%0.7972%0.722SS**  trans-59.796165.8480000109.5E181E181-S183 PolarHBondContact O-N 3.34Å
184S41.9Very low48.3Very low107 Ų107137.9 Ų137.975%0.74873%0.733SS**  trans-55.1140.1154.3-176.60000108.3P182P182-S184 VanDerWaalsContact C-N 3.31Å; P182-S184 PolarHBondContact O-N 3.48Å
185E35.5Very low46.8Very low175 Ų175137.5 Ų137.582%0.81874%0.744SS**  trans87.377.9178.6-53.1-179.7177.800116.9
186L39.6Very low45.2Very low166 Ų166142.8 Ų142.887%0.86976%0.763SS**  -149.449.4123.8-99.2165.6000109Q188L186-Q188 PolarHBondContact O-N 3.17Å
187L41Very low44.1Very low169 Ų169149.9 Ų149.989%0.88580%0.798SS**  trans-84.675.7149.7-88.9162.9000106.4
188Q35.4Very low42.9Very low157 Ų157151.6 Ų151.673%0.73481%0.808SS**  trans-179.194.1162-104.7163.24300109.5L186L186-Q188 PolarHBondContact O-N 3.17Å
189D37.6Very low41.5Very low141 Ų141153.1 Ų153.175%0.75482%0.816SS**  172.195.8119.2-92.1-23.4000107.3
190R32.7Very low40.6Very low215 Ų215150.9 Ų150.981%0.81181%0.814SS**  81.111778-87.5-175.8153.6172.4-3.6112.5
191N41.9Very low40.3Very low233 Ų233159.3 Ų159.3100%1.24683%0.833SS**  trans85.10162.9-58-18000116.7

Retrieved 191 of 191 residues in 126.4 ms (Link to these results)