A0A077Z1J2_TRITR Loading...

HSP70 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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
1M34.5Very low48.6Very low235 Ų235121.3 Ų121.3100%1.15863%0.634SS**  01060-80.6-176.5174.600106.9T3M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2D29.7Very low51.9Low166 Ų166122.3 Ų122.389%0.88863%0.633SS**  trans-71.196.9-172.1-68-43.3000111.2N4D2-N4 PolarHBondContact O-N 3.27Å
3T32.4Very low55Low118 Ų118114.6 Ų114.672%0.72459%0.594SS**  trans-79.782.1162.442.20000108.3M1 R5M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-R5 PolarHBondContact O-N 2.96Å
4N33.5Very low57.7Low149 Ų149106.9 Ų106.980%0.79755%0.553SS**  trans-68.262.1160.1-157.60.4000108.7D2 N6D2-N4 PolarHBondContact O-N 3.27Å; N4-N6 PolarHBondContact O-N 3.45Å
5R34.3Very low60.2Low193 Ų193100 Ų10073%0.72852%0.518SS*.  trans-7671.8174.2-91.6-175.1138.7-154-2107.7T3 N7T3-R5 PolarHBondContact O-N 2.96Å; R5-N7 PolarHBondContact O-N 2.95Å
6N39.4Very low62.4Low125 Ų12599.4 Ų99.467%0.66851%0.512SS*.  trans-78.760.1163-138.82.5000108.7N4 H8N4-N6 PolarHBondContact O-N 3.45Å; N6-H8 PolarHBondContact O-N 3.09Å
7N50.7Low64.3Low121 Ų12196.1 Ų96.165%0.64750%0.495SS*.  trans-76.746.6176.8-96.321.9000110.8R5 L9R5-N7 PolarHBondContact O-N 2.95Å; N7-L9 PolarHBondContact O-N 2.96Å
8H56.5Low66.1Low120 Ų12090.7 Ų90.756%0.55647%0.468SS*.  trans-7962.8173.7-117.493000109.5N6 D13 R94N6-H8 PolarHBondContact O-N 3.09Å; H8-D13 IonicContact CD2-OD1 3.78Å; H8-D13 PolarHBondContact CD2-OD1 3.32Å; H8-R94 PolarHBondContact O-NH2 3.12Å
9L68.8Low67.7Low58 Ų5887.2 Ų87.230%0.30445%0.449SS..  trans-147.190.3169.6-140102.6000110N7 D13 L91 R94 A95N7-L9 PolarHBondContact O-N 2.96Å; L9-D13 VanDerWaalsContact CA-OD2 3.26Å; L9-D13 WeakPolarHBondContact CA-OD2 2.96Å; L9-D13 PolarHBondContact N-OD2 3.25Å; L9-L91 HydrophobicContact CD1-CD2 3.78Å; L9-L91 HydrophobicContact CG-CD2 4.39Å; L9-R94 HydrophobicContact CD1-CB 3.47Å; L9-R94 VanDerWaalsContact CD1-CB 3.47Å; L9-R94 HydrophobicContact CD1-CG 4.37Å; L9-R94 HydrophobicContact CD2-CB 4.32Å; L9-A95 HydrophobicContact CD2-CB 3.84Å
10G76Confident69.2Low32 Ų3288.6 Ų88.633%0.3345%0.452SS..SBendtrans-146.3-176.217800000113Q12 D13 F14G10-Q12 PolarHBondContact O-N 3.22Å; G10-Q12 VanDerWaalsContact O-N 3.1Å; G10-D13 PolarHBondContact N-OD2 3.39Å; G10-D13 WeakPolarHBondContact O-CB 3.34Å; G10-D13 PolarHBondContact O-N 3.49Å; G10-F14 VanDerWaalsContact O-CD2 3.31Å; G10-F14 WeakPolarHBondContact O-CD2 3.34Å
11G78.6Confident70.5Confident17 Ų1786.3 Ų86.318%0.17544%0.439CS..Hα-helixtrans-54.7-29.8179.100000114N15 K51 S122G11-N15 PolarHBondContact O-N 3.09Å; G11-N15 PolarHBondContact O-OD1 3.45Å; G11-K51 PolarHBondContact O-NZ 2.87Å; G11-S122 WeakPolarHBondContact CA-OG 3.2Å; G11-S122 PolarHBondContact N-OG 2.9Å
12Q87.9Confident73.5Confident134 Ų13475.1 Ų75.163%0.62638%0.384SS*.Hα-helixtrans-72.2-29179.2-65-60.2-26.800113.1G10 F14 N15 Q16G10-Q12 PolarHBondContact O-N 3.22Å; G10-Q12 VanDerWaalsContact O-N 3.1Å; Q12-F14 VanDerWaalsContact C-N 3.34Å; Q12-N15 WeakPolarHBondContact O-CB 3.39Å; Q12-N15 PolarHBondContact O-N 3.2Å; Q12-N15 PolarHBondContact OE1-ND2 3.23Å; Q12-Q16 WeakPolarHBondContact O-CB 3.45Å; Q12-Q16 PolarHBondContact O-N 3.49Å
13D92.1Very high76.7Confident22 Ų2269 Ų6912%0.11835%0.351CS..Hα-helixtrans-67-39.3176.7-65.2-76.7000111.2H8 L9 G10 N15 Q16 N17 L91H8-D13 IonicContact CD2-OD1 3.78Å; H8-D13 PolarHBondContact CD2-OD1 3.32Å; L9-D13 VanDerWaalsContact CA-OD2 3.26Å; L9-D13 WeakPolarHBondContact CA-OD2 2.96Å; L9-D13 PolarHBondContact N-OD2 3.25Å; G10-D13 PolarHBondContact N-OD2 3.39Å; G10-D13 WeakPolarHBondContact O-CB 3.34Å; G10-D13 PolarHBondContact O-N 3.49Å; D13-N15 VanDerWaalsContact C-N 3.35Å; D13-Q16 PolarHBondContact O-N 2.81Å; D13-N17 PolarHBondContact O-N 3.02Å; D13-L91 HydrophobicContact CB-CD1 3.62Å; D13-L91 HydrophobicContact CB-CD2 4.1Å
14F93.7Very high79.8Confident6 Ų669.5 Ų69.53%0.02634%0.343CS..Hα-helixtrans-61.7-44.6173.9-64.2-78.1000111.4G10 Q12 Q16 L18 K51 F84 N88 L91 F92 I125 I128G10-F14 VanDerWaalsContact O-CD2 3.31Å; G10-F14 WeakPolarHBondContact O-CD2 3.34Å; Q12-F14 VanDerWaalsContact C-N 3.34Å; F14-Q16 VanDerWaalsContact C-N 3.33Å; F14-L18 PolarHBondContact O-N 2.74Å; F14-K51 HydrophobicContact CB-CD 4.09Å; F14-F84 HydrophobicContact CB-CE2 4.39Å; F14-F84 HydrophobicContact CB-CZ 4.08Å; F14-F84 HydrophobicContact CD1-CZ 4.09Å; F14-F84 HydrophobicContact CG-CZ 4.41Å; F14-N88 HydrophobicContact CD1-CB 3.71Å; F14-N88 HydrophobicContact CE1-CB 3.91Å; F14-L91 HydrophobicContact CD1-CD1 3.9Å; F14-L91 HydrophobicContact CE1-CB 3.86Å; F14-L91 HydrophobicContact CE1-CD1 3.97Å; F14-L91 HydrophobicContact CG-CD1 4.2Å; F14-L91 HydrophobicContact CZ-CB 4.08Å; F14-L91 HydrophobicContact CZ-CD1 4.36Å; F14-F92 HydrophobicContact CD1-CE1 4.24Å; F14-F92 HydrophobicContact CD1-CZ 4.42Å; F14-F92 AromaticContact CE1-CD1 3.83Å; F14-F92 HydrophobicContact CE1-CD1 3.83Å; F14-F92 AromaticContact CE1-CE1 3.33Å; F14-F92 HydrophobicContact CE1-CE1 3.33Å; F14-F92 AromaticContact CE1-CZ 3.86Å; F14-F92 HydrophobicContact CE1-CZ 3.86Å; F14-F92 HydrophobicContact CZ-CD1 4.14Å; F14-F92 AromaticContact CZ-CE1 3.91Å; F14-F92 HydrophobicContact CZ-CE1 3.91Å; F14-I125 HydrophobicContact CD1-CD1 4.49Å; F14-I125 HydrophobicContact CD2-CD1 4.41Å; F14-I125 HydrophobicContact CG-CD1 4.39Å; F14-I128 HydrophobicContact CE2-CD1 4.13Å; F14-I128 HydrophobicContact CZ-CD1 3.77Å
15N95Very high82.8Confident4 Ų463.7 Ų63.72%0.02131%0.312CS..Hα-helixtrans-60.7-45.8175.3-62.8-10.3000110.7G11 Q12 D13 N17 L18 L19 V47 E48 K51G11-N15 PolarHBondContact O-N 3.09Å; G11-N15 PolarHBondContact O-OD1 3.45Å; Q12-N15 WeakPolarHBondContact O-CB 3.39Å; Q12-N15 PolarHBondContact O-N 3.2Å; Q12-N15 PolarHBondContact OE1-ND2 3.23Å; D13-N15 VanDerWaalsContact C-N 3.35Å; N15-N17 VanDerWaalsContact C-N 3.34Å; N15-N17 PolarHBondContact O-N 3.06Å; N15-L18 PolarHBondContact O-N 3.22Å; N15-L19 VanDerWaalsContact O-CB 3.24Å; N15-L19 WeakPolarHBondContact O-CB 3.48Å; N15-L19 PolarHBondContact O-N 3.02Å; N15-V47 HydrophobicContact CB-CG1 3.85Å; N15-V47 WeakPolarHBondContact O-CG1 3.29Å; N15-E48 VanDerWaalsContact CG-OE2 3.23Å; N15-E48 PolarHBondContact ND2-OE2 3.12Å; N15-E48 PolarHBondContact OD1-OE2 3.31Å; N15-E48 VanDerWaalsContact OD1-OE2 3.07Å; N15-K51 WeakPolarHBondContact OD1-CD 3.39Å; N15-K51 WeakPolarHBondContact OD1-CE 3.47Å; N15-K51 PolarHBondContact OD1-NZ 2.94Å
16Q95Very high85.7Confident91 Ų9154.5 Ų54.543%0.42528%0.277SS..Hα-helixtrans-65.5-38.4-174.7-161.3-176.659.600111.9Q12 D13 F14 L19 K20Q12-Q16 WeakPolarHBondContact O-CB 3.45Å; Q12-Q16 PolarHBondContact O-N 3.49Å; D13-Q16 PolarHBondContact O-N 2.81Å; F14-Q16 VanDerWaalsContact C-N 3.33Å; Q16-L19 PolarHBondContact O-N 3.32Å; Q16-K20 HydrophobicContact CG-CD 4.34Å; Q16-K20 WeakPolarHBondContact O-CB 3.14Å; Q16-K20 VanDerWaalsContact O-CG 3.23Å; Q16-K20 WeakPolarHBondContact O-CG 3.4Å; Q16-K20 PolarHBondContact O-N 3.2Å
17N95.6Very high88.4Confident42 Ų4256 Ų5623%0.22527%0.274CS..Hα-helixtrans-64.5-44.9175-74.1-20.7000112.1D13 N15 K20 F21 N88 L91D13-N17 PolarHBondContact O-N 3.02Å; N15-N17 VanDerWaalsContact C-N 3.34Å; N15-N17 PolarHBondContact O-N 3.06Å; N17-K20 PolarHBondContact O-N 3.37Å; N17-F21 WeakPolarHBondContact O-CB 3.33Å; N17-F21 PolarHBondContact O-N 3.36Å; N17-N88 WeakPolarHBondContact CB-OD1 3.45Å; N17-N88 PolarHBondContact ND2-OD1 2.91Å; N17-L91 VanDerWaalsContact ND2-CD1 3.3Å; N17-L91 WeakPolarHBondContact ND2-CD1 3.46Å
18L96.3Very high90.5Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-65.9-41.9176.9-17855.4000111.2F14 N15 F21 L22 V47 I62 I79 F84 L87F14-L18 PolarHBondContact O-N 2.74Å; N15-L18 PolarHBondContact O-N 3.22Å; L18-F21 HydrophobicContact CD1-CD1 4.27Å; L18-F21 WeakPolarHBondContact O-CB 3.24Å; L18-F21 PolarHBondContact O-N 2.8Å; L18-L22 HydrophobicContact CD1-CD1 4.42Å; L18-L22 HydrophobicContact CD1-CG 4.28Å; L18-L22 HydrophobicContact CG-CD1 4.22Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.04Å; L18-V47 HydrophobicContact CB-CG1 4.11Å; L18-V47 HydrophobicContact CD2-CG1 4.11Å; L18-V47 HydrophobicContact CD2-CG2 4.45Å; L18-V47 HydrophobicContact CG-CG1 4.23Å; L18-V47 HydrophobicContact CG-CG2 4.21Å; L18-I62 HydrophobicContact CD2-CD1 4.28Å; L18-I79 HydrophobicContact CD1-CD1 3.94Å; L18-I79 HydrophobicContact CD1-CG1 4.01Å; L18-F84 HydrophobicContact CD2-CD2 4.2Å; L18-L87 HydrophobicContact CD1-CD1 4.04Å
19L96.8Very high92.4Very high23 Ų2356.7 Ų56.712%0.1227%0.267CS..Hα-helixtrans-60.1-49.4175.9-179.262.1000111.4N15 Q16 F21 L22 L23 L43 V47N15-L19 VanDerWaalsContact O-CB 3.24Å; N15-L19 WeakPolarHBondContact O-CB 3.48Å; N15-L19 PolarHBondContact O-N 3.02Å; Q16-L19 PolarHBondContact O-N 3.32Å; L19-F21 VanDerWaalsContact C-N 3.27Å; L19-F21 PolarHBondContact O-N 3.5Å; L19-L22 PolarHBondContact O-N 3.45Å; L19-L22 VanDerWaalsContact O-N 3.16Å; L19-L23 HydrophobicContact CD1-CD1 4.25Å; L19-L23 HydrophobicContact CD1-CG 4.26Å; L19-L23 HydrophobicContact CG-CD1 3.96Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.87Å; L19-L43 HydrophobicContact CD1-CB 3.98Å; L19-L43 HydrophobicContact CD1-CD2 3.51Å; L19-L43 HydrophobicContact CD1-CG 3.55Å; L19-V47 HydrophobicContact CB-CG2 4.39Å; L19-V47 HydrophobicContact CD1-CG2 4.42Å
20K96.7Very high93.6Very high115 Ų11557.3 Ų57.350%0.527%0.266SS..Hα-helixtrans-56.2-42.4175.6-77.1168.7179.7163.60111.7Q16 N17 K24Q16-K20 HydrophobicContact CG-CD 4.34Å; Q16-K20 WeakPolarHBondContact O-CB 3.14Å; Q16-K20 VanDerWaalsContact O-CG 3.23Å; Q16-K20 WeakPolarHBondContact O-CG 3.4Å; Q16-K20 PolarHBondContact O-N 3.2Å; N17-K20 PolarHBondContact O-N 3.37Å; K20-K24 PolarHBondContact O-N 2.91Å; K20-K24 VanDerWaalsContact O-N 3.12Å
21F97.5Very high94.4Very high42 Ų4259.1 Ų59.118%0.18428%0.284CS..Hα-helixtrans-62.3-48.3175.8172.7-98.7000111.8N17 L18 L19 L23 K24 I25 Y77 L83 L87N17-F21 WeakPolarHBondContact O-CB 3.33Å; N17-F21 PolarHBondContact O-N 3.36Å; L18-F21 HydrophobicContact CD1-CD1 4.27Å; L18-F21 WeakPolarHBondContact O-CB 3.24Å; L18-F21 PolarHBondContact O-N 2.8Å; L19-F21 VanDerWaalsContact C-N 3.27Å; L19-F21 PolarHBondContact O-N 3.5Å; F21-L23 PolarHBondContact O-N 3.16Å; F21-K24 WeakPolarHBondContact O-CB 3.48Å; F21-K24 PolarHBondContact O-N 3.33Å; F21-I25 HydrophobicContact CE1-CG1 4.07Å; F21-I25 HydrophobicContact CE2-CD1 4.34Å; F21-I25 HydrophobicContact CE2-CG1 4.3Å; F21-I25 HydrophobicContact CZ-CD1 4.13Å; F21-I25 HydrophobicContact CZ-CG1 3.94Å; F21-I25 WeakPolarHBondContact O-CG1 3.35Å; F21-I25 PolarHBondContact O-N 3.45Å; F21-I25 VanDerWaalsContact O-N 3.09Å; F21-Y77 AromaticContact CE1-CE1 3.77Å; F21-Y77 HydrophobicContact CE1-CE1 3.77Å; F21-Y77 HydrophobicContact CE1-CE2 4.2Å; F21-Y77 AromaticContact CE1-CZ 3.54Å; F21-Y77 WeakPolarHBondContact CE1-OH 3.49Å; F21-Y77 HydrophobicContact CZ-CE2 4.47Å; F21-Y77 AromaticContact CZ-CZ 3.9Å; F21-Y77 WeakPolarHBondContact CZ-OH 3.26Å; F21-L83 HydrophobicContact CE1-CD2 4.29Å; F21-L83 HydrophobicContact CZ-CD2 4.13Å; F21-L87 HydrophobicContact CB-CD1 4.02Å; F21-L87 HydrophobicContact CB-CD2 4.19Å; F21-L87 HydrophobicContact CD1-CD1 3.97Å; F21-L87 HydrophobicContact CD2-CD1 4.33Å; F21-L87 HydrophobicContact CD2-CD2 3.83Å; F21-L87 HydrophobicContact CE2-CD2 4.48Å; F21-L87 HydrophobicContact CG-CD1 3.83Å; F21-L87 HydrophobicContact CG-CD2 4.06Å
22L97.1Very high95.1Very high0 Ų062.5 Ų62.50%029%0.292CS..Hα-helixtrans-64.9-37.9179.1-66172.7000112.7L18 L19 K24 I25 A26 L43 V47 I62 F75 Y77L18-L22 HydrophobicContact CD1-CD1 4.42Å; L18-L22 HydrophobicContact CD1-CG 4.28Å; L18-L22 HydrophobicContact CG-CD1 4.22Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.04Å; L19-L22 PolarHBondContact O-N 3.45Å; L19-L22 VanDerWaalsContact O-N 3.16Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.25Å; L22-I25 PolarHBondContact O-N 2.81Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.26Å; L22-L43 HydrophobicContact CB-CD2 4.31Å; L22-L43 HydrophobicContact CD1-CD1 4.19Å; L22-V47 HydrophobicContact CD1-CG2 3.47Å; L22-V47 VanDerWaalsContact CD1-CG2 3.47Å; L22-I62 HydrophobicContact CD1-CD1 3.49Å; L22-I62 VanDerWaalsContact CD1-CD1 3.49Å; L22-I62 HydrophobicContact CD1-CG2 4.35Å; L22-I62 HydrophobicContact CD2-CD1 4.41Å; L22-F75 HydrophobicContact CB-CE1 4.33Å; L22-F75 HydrophobicContact CB-CZ 4.27Å; L22-F75 HydrophobicContact CD2-CE1 4.12Å; L22-F75 HydrophobicContact CD2-CZ 4.05Å; L22-Y77 HydrophobicContact CD2-CD1 3.63Å; L22-Y77 HydrophobicContact CD2-CD2 4.44Å; L22-Y77 HydrophobicContact CD2-CE1 4.34Å; L22-Y77 HydrophobicContact CD2-CG 3.71Å
23L96.8Very high95.4Very high38 Ų3858.7 Ų58.720%0.19928%0.279CS..Hα-helixtrans-63.2-37.6175.5-70.5169.9000111.9L19 F21 A26 R27 V34 M40 L43L19-L23 HydrophobicContact CD1-CD1 4.25Å; L19-L23 HydrophobicContact CD1-CG 4.26Å; L19-L23 HydrophobicContact CG-CD1 3.96Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.87Å; F21-L23 PolarHBondContact O-N 3.16Å; L23-A26 PolarHBondContact O-N 2.89Å; L23-R27 WeakPolarHBondContact O-CB 3.32Å; L23-R27 PolarHBondContact O-N 2.6Å; L23-V34 HydrophobicContact CD2-CB 3.78Å; L23-V34 HydrophobicContact CD2-CG1 4.43Å; L23-V34 HydrophobicContact CD2-CG2 4.06Å; L23-M40 HydrophobicContact CD1-CE 3.72Å; L23-M40 HydrophobicContact CD1-SD 3.9Å; L23-M40 HydrophobicContact CD2-CE 4.44Å; L23-M40 HydrophobicContact CD2-SD 3.5Å; L23-M40 WeakPolarHBondContact CD2-SD 3.27Å; L23-M40 HydrophobicContact CG-SD 4.33Å; L23-L43 HydrophobicContact CD2-CD2 3.75Å; L23-L43 HydrophobicContact CG-CD2 4.13Å
24K97.4Very high95.5Very high128 Ų12858.2 Ų58.256%0.55728%0.277SS*.Hα-helixtrans-62.3-47.1172.6-177.2-179.6171.6-177.60111K20 F21 L22 R27 E28K20-K24 PolarHBondContact O-N 2.91Å; K20-K24 VanDerWaalsContact O-N 3.12Å; F21-K24 WeakPolarHBondContact O-CB 3.48Å; F21-K24 PolarHBondContact O-N 3.33Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.25Å; K24-R27 PolarHBondContact O-N 2.88Å; K24-E28 WeakPolarHBondContact CE-OE1 3.49Å; K24-E28 IonicContact NZ-OE1 3.99Å; K24-E28 WeakPolarHBondContact O-CG 3.43Å; K24-E28 PolarHBondContact O-N 3.46Å
25I96.6Very high95.4Very high27 Ų2764 Ų6414%0.13830%0.304CS..Hα-helixtrans-63-43.1177.7-62.9-62.7000111.7F21 L22 R27 E28 R29 F75 Y77F21-I25 HydrophobicContact CE1-CG1 4.07Å; F21-I25 HydrophobicContact CE2-CD1 4.34Å; F21-I25 HydrophobicContact CE2-CG1 4.3Å; F21-I25 HydrophobicContact CZ-CD1 4.13Å; F21-I25 HydrophobicContact CZ-CG1 3.94Å; F21-I25 WeakPolarHBondContact O-CG1 3.35Å; F21-I25 PolarHBondContact O-N 3.45Å; F21-I25 VanDerWaalsContact O-N 3.09Å; L22-I25 PolarHBondContact O-N 2.81Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 2.82Å; I25-E28 PolarHBondContact O-N 2.92Å; I25-R29 HydrophobicContact CG2-CG 4.37Å; I25-R29 WeakPolarHBondContact O-CB 3.38Å; I25-R29 WeakPolarHBondContact O-CG 3.36Å; I25-R29 PolarHBondContact O-N 2.81Å; I25-F75 HydrophobicContact CG2-CE2 4.25Å; I25-Y77 HydrophobicContact CG1-CE2 4.28Å; I25-Y77 HydrophobicContact CG2-CD2 4Å; I25-Y77 HydrophobicContact CG2-CE2 4.22Å
26A95.4Very high95.3Very high0 Ų067.3 Ų67.30%032%0.321CS..Hα-helixtrans-61.1-44.6176.800000110.9L22 L23 E28 R29 Y30 V34 F75L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.26Å; L23-A26 PolarHBondContact O-N 2.89Å; A26-E28 PolarHBondContact O-N 2.85Å; A26-R29 PolarHBondContact O-N 3.02Å; A26-Y30 HydrophobicContact CB-CD2 4.29Å; A26-Y30 HydrophobicContact CB-CE2 4.42Å; A26-Y30 WeakPolarHBondContact O-CD2 3.26Å; A26-Y30 PolarHBondContact O-N 3.43Å; A26-V34 HydrophobicContact CB-CG2 3.98Å; A26-F75 HydrophobicContact CB-CD2 4.24Å; A26-F75 HydrophobicContact CB-CE2 3.96Å
27R95.6Very high95.3Very high157 Ų15771.7 Ų71.759%0.59234%0.339SS*.Hα-helixtrans-60.8-42.8175.8178.4179.8164.9176.5-3112.7L23 K24 I25 G31 R32L23-R27 WeakPolarHBondContact O-CB 3.32Å; L23-R27 PolarHBondContact O-N 2.6Å; K24-R27 PolarHBondContact O-N 2.88Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 2.82Å; R27-G31 CarbonylContact O-C 3.59Å; R27-G31 WeakPolarHBondContact O-CA 3.46Å; R27-G31 PolarHBondContact O-N 2.88Å; R27-R32 WeakPolarHBondContact CA-O 3.5Å
28E96.1Very high95.3Very high124 Ų12471.7 Ų71.758%0.57935%0.349SS*.Hα-helixtrans-65.9-37.9177.5-73.8170.5-176.900112.1K24 I25 A26K24-E28 WeakPolarHBondContact CE-OE1 3.49Å; K24-E28 IonicContact NZ-OE1 3.99Å; K24-E28 WeakPolarHBondContact O-CG 3.43Å; K24-E28 PolarHBondContact O-N 3.46Å; I25-E28 PolarHBondContact O-N 2.92Å; A26-E28 PolarHBondContact O-N 2.85Å
29R95.4Very high95.3Very high131 Ų13172 Ų7249%0.49435%0.351SS..Hα-helixtrans-75.6-37.8-178.8-74.1180-177.4-1761.5114I25 A26 R76I25-R29 HydrophobicContact CG2-CG 4.37Å; I25-R29 WeakPolarHBondContact O-CB 3.38Å; I25-R29 WeakPolarHBondContact O-CG 3.36Å; I25-R29 PolarHBondContact O-N 2.81Å; A26-R29 PolarHBondContact O-N 3.02Å; R29-R76 PolarHBondContact NH1-O 2.87Å
30Y93.9Very high95.3Very high71 Ų7173.9 Ų73.928%0.27836%0.359SS..Hα-helixtrans-111.33.6-171.9-53.9-62.9000113.3A26 R32 F69 V73 Q74 F75A26-Y30 HydrophobicContact CB-CD2 4.29Å; A26-Y30 HydrophobicContact CB-CE2 4.42Å; A26-Y30 WeakPolarHBondContact O-CD2 3.26Å; A26-Y30 PolarHBondContact O-N 3.43Å; Y30-R32 PolarHBondContact O-N 3.48Å; Y30-R32 VanDerWaalsContact O-N 3.09Å; Y30-F69 AromaticContact CD2-CE1 3.85Å; Y30-F69 HydrophobicContact CD2-CE1 3.85Å; Y30-F69 AromaticContact CD2-CE2 3.81Å; Y30-F69 HydrophobicContact CD2-CE2 3.81Å; Y30-F69 AromaticContact CD2-CZ 3.42Å; Y30-F69 HydrophobicContact CD2-CZ 3.42Å; Y30-F69 VanDerWaalsContact CD2-CZ 3.42Å; Y30-F69 HydrophobicContact CE2-CE2 4.31Å; Y30-F69 HydrophobicContact CE2-CZ 4.29Å; Y30-F69 HydrophobicContact CG-CD1 4.16Å; Y30-F69 AromaticContact CG-CE1 3.81Å; Y30-F69 HydrophobicContact CG-CE1 3.81Å; Y30-F69 HydrophobicContact CG-CE2 4.28Å; Y30-F69 AromaticContact CG-CZ 3.85Å; Y30-F69 HydrophobicContact CG-CZ 3.85Å; Y30-V73 HydrophobicContact CD1-CG1 4.23Å; Y30-V73 HydrophobicContact CD1-CG2 4.32Å; Y30-V73 HydrophobicContact CD2-CG2 4.34Å; Y30-V73 HydrophobicContact CE1-CB 3.92Å; Y30-V73 HydrophobicContact CE1-CG1 4.04Å; Y30-V73 HydrophobicContact CE1-CG2 3.87Å; Y30-V73 HydrophobicContact CE2-CG2 3.89Å; Y30-Q74 PolarHBondContact OH-O 3.22Å; Y30-F75 AromaticContact CE2-CD2 3.86Å; Y30-F75 HydrophobicContact CE2-CD2 3.86Å; Y30-F75 WeakPolarHBondContact OH-CA 3.32Å
31G92.9Very high95.3Very high69 Ų6974.3 Ų74.371%0.71136%0.363SS*.SBendtrans75.8-11.2174.100000116R27R27-G31 CarbonylContact O-C 3.59Å; R27-G31 WeakPolarHBondContact O-CA 3.46Å; R27-G31 PolarHBondContact O-N 2.88Å
32R93.4Very high95.2Very high89 Ų8974.1 Ų74.134%0.33637%0.369SS..SBendtrans-136.7154.4179.266.4178.9-71.1-175.6-2111.9R27 Y30 E35 S68 F69 D70R27-R32 WeakPolarHBondContact CA-O 3.5Å; Y30-R32 PolarHBondContact O-N 3.48Å; Y30-R32 VanDerWaalsContact O-N 3.09Å; R32-E35 IonicContact NH2-OE2 3.62Å; R32-E35 PolarHBondContact NH2-OE2 3.39Å; R32-S68 PolarHBondContact NE-O 2.9Å; R32-S68 PolarHBondContact NH1-O 3.1Å; R32-S68 PolarHBondContact NH2-O 3.28Å; R32-F69 HydrophobicContact CG-CD1 3.42Å; R32-F69 VanDerWaalsContact CG-CD1 3.42Å; R32-F69 HydrophobicContact CG-CE1 3.5Å; R32-F69 WeakPolarHBondContact O-CE1 3.49Å; R32-D70 IonicContact NH1-OD1 3.1Å
33P94.2Very high95.2Very high53 Ų5374.1 Ų74.134%0.34437%0.369SS..  trans-68156.4175.929.2-34.7000112.2E35P33-E35 HydrophobicContact CB-CG 4.45Å; P33-E35 HydrophobicContact CG-CG 4.04Å
34V94.9Very high95.2Very high13 Ų1374.1 Ų74.18%0.07937%0.372CS..  trans-76.6118165.8-178.60000107.5L23 A26 D39 M40 L66 S68 F69L23-V34 HydrophobicContact CD2-CB 3.78Å; L23-V34 HydrophobicContact CD2-CG1 4.43Å; L23-V34 HydrophobicContact CD2-CG2 4.06Å; A26-V34 HydrophobicContact CB-CG2 3.98Å; V34-D39 HydrophobicContact CG1-CB 3.5Å; V34-M40 HydrophobicContact CB-SD 4.46Å; V34-M40 HydrophobicContact CG1-CG 4.33Å; V34-M40 HydrophobicContact CG1-SD 4.21Å; V34-L66 HydrophobicContact CG2-CD1 3.98Å; V34-S68 WeakPolarHBondContact CG1-OG 3.45Å; V34-F69 HydrophobicContact CG2-CE2 4.26Å; V34-F69 HydrophobicContact CG2-CZ 3.89Å
35E90.6Very high95.2Very high128 Ų12873.7 Ų73.760%0.59837%0.374SS*.  trans-116.3-25.7-173.5-68.1175.8154.100112.2R32 P33 K37 S68R32-E35 IonicContact NH2-OE2 3.62Å; R32-E35 PolarHBondContact NH2-OE2 3.39Å; P33-E35 HydrophobicContact CB-CG 4.45Å; P33-E35 HydrophobicContact CG-CG 4.04Å; E35-K37 PolarHBondContact O-N 3.2Å; E35-S68 PolarHBondContact N-OG 3.18Å
36D93.9Very high95.2Very high72 Ų7273.5 Ų73.539%0.38538%0.376SS..  trans-64.9134.3-179.4-180-102.1000111.3G38 D39 M40 S68D36-G38 VanDerWaalsContact C-N 3.33Å; D36-G38 PolarHBondContact O-N 3.36Å; D36-G38 WeakPolarHBondContact OD1-CA 3.23Å; D36-G38 PolarHBondContact OD1-N 3.23Å; D36-D39 HydrophobicContact CB-CB 4.01Å; D36-D39 PolarHBondContact O-N 2.84Å; D36-D39 PolarHBondContact OD1-N 2.94Å; D36-M40 VanDerWaalsContact O-CG 3.25Å; D36-M40 WeakPolarHBondContact O-CG 3.5Å; D36-M40 PolarHBondContact O-N 2.92Å; D36-S68 VanDerWaalsContact CB-OG 3.27Å; D36-S68 WeakPolarHBondContact CB-OG 3.42Å; D36-S68 PolarHBondContact N-OG 3.29Å
37K94.9Very high95.3Very high184 Ų18473.5 Ų73.580%0.838%0.376SS*.Hα-helixtrans-68.4-34.3-178.4-69.7-178.1179.61770111.9E35 H41E35-K37 PolarHBondContact O-N 3.2Å; K37-H41 WeakPolarHBondContact O-CB 3.46Å; K37-H41 PolarHBondContact O-N 2.96Å
38G95.9Very high95.3Very high41 Ų4168.7 Ų68.742%0.42336%0.36SS..Hα-helixtrans-66.1-45.8175.900000111.3D36 M40 H41 A42D36-G38 VanDerWaalsContact C-N 3.33Å; D36-G38 PolarHBondContact O-N 3.36Å; D36-G38 WeakPolarHBondContact OD1-CA 3.23Å; D36-G38 PolarHBondContact OD1-N 3.23Å; G38-M40 PolarHBondContact O-N 2.86Å; G38-H41 PolarHBondContact O-N 3.18Å; G38-A42 WeakPolarHBondContact O-CB 3.32Å; G38-A42 PolarHBondContact O-N 3.32Å
39D96.2Very high95.3Very high8 Ų868.6 Ų68.64%0.04336%0.36CS..Hα-helixtrans-58.7-46174.4-75.2-6.4000112.1V34 D36 H41 A42 L43 L66 A67 S68V34-D39 HydrophobicContact CG1-CB 3.5Å; D36-D39 HydrophobicContact CB-CB 4.01Å; D36-D39 PolarHBondContact O-N 2.84Å; D36-D39 PolarHBondContact OD1-N 2.94Å; D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 3.35Å; D39-A42 PolarHBondContact O-N 3.08Å; D39-L43 WeakPolarHBondContact O-CB 3.4Å; D39-L43 PolarHBondContact O-N 3.09Å; D39-L66 HydrophobicContact CB-CD2 3.88Å; D39-L66 WeakPolarHBondContact OD1-CA 3.24Å; D39-A67 VanDerWaalsContact CG-N 3.25Å; D39-A67 PolarHBondContact OD1-N 3.33Å; D39-A67 PolarHBondContact OD2-N 3.43Å; D39-S68 VanDerWaalsContact OD2-CB 3.24Å; D39-S68 WeakPolarHBondContact OD2-CB 3.38Å; D39-S68 PolarHBondContact OD2-N 2.82Å; D39-S68 PolarHBondContact OD2-OG 2.95Å
40M96.2Very high95.4Very high62 Ų6262.5 Ų62.531%0.30534%0.337SS..Hα-helixtrans-60.6-41.4177.1-72.9-69.4-67.900111.7L23 V34 D36 G38 S44L23-M40 HydrophobicContact CD1-CE 3.72Å; L23-M40 HydrophobicContact CD1-SD 3.9Å; L23-M40 HydrophobicContact CD2-CE 4.44Å; L23-M40 HydrophobicContact CD2-SD 3.5Å; L23-M40 WeakPolarHBondContact CD2-SD 3.27Å; L23-M40 HydrophobicContact CG-SD 4.33Å; V34-M40 HydrophobicContact CB-SD 4.46Å; V34-M40 HydrophobicContact CG1-CG 4.33Å; V34-M40 HydrophobicContact CG1-SD 4.21Å; D36-M40 VanDerWaalsContact O-CG 3.25Å; D36-M40 WeakPolarHBondContact O-CG 3.5Å; D36-M40 PolarHBondContact O-N 2.92Å; G38-M40 PolarHBondContact O-N 2.86Å; M40-S44 WeakPolarHBondContact O-CB 3.35Å; M40-S44 PolarHBondContact O-N 3.26Å
41H96.4Very high95.5Very high123 Ų12359.9 Ų59.957%0.56933%0.327SS*.Hα-helixtrans-66.4-46.9176.3-177.667000111.9K37 G38 D39 L43 S44 M45K37-H41 WeakPolarHBondContact O-CB 3.46Å; K37-H41 PolarHBondContact O-N 2.96Å; G38-H41 PolarHBondContact O-N 3.18Å; D39-H41 VanDerWaalsContact C-N 3.31Å; D39-H41 PolarHBondContact O-N 3.35Å; H41-L43 VanDerWaalsContact C-N 3.32Å; H41-L43 PolarHBondContact O-N 3.01Å; H41-S44 WeakPolarHBondContact O-CB 3.25Å; H41-S44 PolarHBondContact O-N 3.43Å; H41-S44 VanDerWaalsContact O-N 3.14Å; H41-M45 WeakPolarHBondContact O-CG 3.15Å; H41-M45 PolarHBondContact O-N 2.88Å
42A96.4Very high95.6Very high38 Ų3860.7 Ų60.731%0.31432%0.315SS..Hα-helixtrans-60-42.917800000111.6G38 D39 M45 A46 V64G38-A42 WeakPolarHBondContact O-CB 3.32Å; G38-A42 PolarHBondContact O-N 3.32Å; D39-A42 PolarHBondContact O-N 3.08Å; A42-M45 PolarHBondContact O-N 2.8Å; A42-A46 WeakPolarHBondContact O-CB 3.3Å; A42-A46 PolarHBondContact O-N 2.93Å; A42-V64 HydrophobicContact CB-CG1 3.68Å
43L96.8Very high95.7Very high0 Ų057.1 Ų57.10%030%0.304CS..Hα-helixtrans-64.9-40.3175.3-166.963.2000111.8L19 L22 L23 D39 H41 M45 A46 V47 I62 V64 F75L19-L43 HydrophobicContact CD1-CB 3.98Å; L19-L43 HydrophobicContact CD1-CD2 3.51Å; L19-L43 HydrophobicContact CD1-CG 3.55Å; L22-L43 HydrophobicContact CB-CD2 4.31Å; L22-L43 HydrophobicContact CD1-CD1 4.19Å; L23-L43 HydrophobicContact CD2-CD2 3.75Å; L23-L43 HydrophobicContact CG-CD2 4.13Å; D39-L43 WeakPolarHBondContact O-CB 3.4Å; D39-L43 PolarHBondContact O-N 3.09Å; H41-L43 VanDerWaalsContact C-N 3.32Å; H41-L43 PolarHBondContact O-N 3.01Å; L43-M45 PolarHBondContact O-N 3.28Å; L43-A46 PolarHBondContact O-N 3.02Å; L43-V47 WeakPolarHBondContact O-CB 3.43Å; L43-V47 VanDerWaalsContact O-CG2 3.24Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.21Å; L43-I62 HydrophobicContact CD1-CG2 4.27Å; L43-V64 HydrophobicContact CD1-CG2 4.05Å; L43-F75 HydrophobicContact CD1-CD1 4.07Å; L43-F75 HydrophobicContact CD1-CE1 4.04Å
44S96.4Very high95.8Very high38 Ų3854.9 Ų54.927%0.26629%0.289SS..Hα-helixtrans-62.8-40.6175.7-169.40000112.6M40 H41 V47 E48M40-S44 WeakPolarHBondContact O-CB 3.35Å; M40-S44 PolarHBondContact O-N 3.26Å; H41-S44 WeakPolarHBondContact O-CB 3.25Å; H41-S44 PolarHBondContact O-N 3.43Å; H41-S44 VanDerWaalsContact O-N 3.14Å; S44-V47 PolarHBondContact O-N 3.26Å; S44-E48 PolarHBondContact O-N 3.15Å; S44-E48 VanDerWaalsContact O-N 3.1Å
45M97Very high95.8Very high120 Ų12056.1 Ų56.159%0.59130%0.297SS*.Hα-helixtrans-66.3-43.3175.7-67.4-136.674.800111.6H41 A42 L43 V47 E48 Q49H41-M45 WeakPolarHBondContact O-CG 3.15Å; H41-M45 PolarHBondContact O-N 2.88Å; A42-M45 PolarHBondContact O-N 2.8Å; L43-M45 PolarHBondContact O-N 3.28Å; M45-V47 VanDerWaalsContact C-N 3.28Å; M45-V47 PolarHBondContact O-N 2.78Å; M45-E48 PolarHBondContact O-N 2.92Å; M45-Q49 PolarHBondContact O-N 2.87Å
46A97.4Very high95.9Very high22 Ų2254.7 Ų54.718%0.18230%0.301CS..Hα-helixtrans-65-33.5177.400000112.3A42 L43 Q49 A50 I62 V64A42-A46 WeakPolarHBondContact O-CB 3.3Å; A42-A46 PolarHBondContact O-N 2.93Å; L43-A46 PolarHBondContact O-N 3.02Å; A46-Q49 PolarHBondContact O-N 2.96Å; A46-A50 VanDerWaalsContact O-CB 3.32Å; A46-A50 WeakPolarHBondContact O-CB 3.49Å; A46-A50 PolarHBondContact O-N 3.41Å; A46-I62 HydrophobicContact CB-CG2 3.9Å; A46-V64 HydrophobicContact CB-CG2 3.52Å
47V97.3Very high96.1Very high0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-63.8-46.2172.6159.80000111.9N15 L18 L19 L22 L43 S44 M45 Q49 A50 K51 I62N15-V47 HydrophobicContact CB-CG1 3.85Å; N15-V47 WeakPolarHBondContact O-CG1 3.29Å; L18-V47 HydrophobicContact CB-CG1 4.11Å; L18-V47 HydrophobicContact CD2-CG1 4.11Å; L18-V47 HydrophobicContact CD2-CG2 4.45Å; L18-V47 HydrophobicContact CG-CG1 4.23Å; L18-V47 HydrophobicContact CG-CG2 4.21Å; L19-V47 HydrophobicContact CB-CG2 4.39Å; L19-V47 HydrophobicContact CD1-CG2 4.42Å; L22-V47 HydrophobicContact CD1-CG2 3.47Å; L22-V47 VanDerWaalsContact CD1-CG2 3.47Å; L43-V47 WeakPolarHBondContact O-CB 3.43Å; L43-V47 VanDerWaalsContact O-CG2 3.24Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.21Å; S44-V47 PolarHBondContact O-N 3.26Å; M45-V47 VanDerWaalsContact C-N 3.28Å; M45-V47 PolarHBondContact O-N 2.78Å; V47-Q49 VanDerWaalsContact C-N 3.34Å; V47-Q49 PolarHBondContact O-N 3.49Å; V47-A50 PolarHBondContact O-N 3.03Å; V47-K51 PolarHBondContact O-N 3.14Å; V47-I62 HydrophobicContact CG2-CD1 4.46Å
48E95.7Very high96.2Very high56 Ų5653.2 Ų53.226%0.26230%0.298SS..Hα-helixtrans-59.3-48175.618062.7-145.400110.5N15 S44 M45 A50 K51 I52N15-E48 VanDerWaalsContact CG-OE2 3.23Å; N15-E48 PolarHBondContact ND2-OE2 3.12Å; N15-E48 PolarHBondContact OD1-OE2 3.31Å; N15-E48 VanDerWaalsContact OD1-OE2 3.07Å; S44-E48 PolarHBondContact O-N 3.15Å; S44-E48 VanDerWaalsContact O-N 3.1Å; M45-E48 PolarHBondContact O-N 2.92Å; E48-A50 VanDerWaalsContact C-N 3.3Å; E48-A50 PolarHBondContact O-N 3.41Å; E48-K51 WeakPolarHBondContact O-CB 3.21Å; E48-K51 PolarHBondContact O-N 3.5Å; E48-K51 VanDerWaalsContact O-N 3.16Å; E48-K51 WeakPolarHBondContact OE1-CE 3.49Å; E48-K51 IonicContact OE1-NZ 3.41Å; E48-K51 PolarHBondContact OE1-NZ 3.41Å; E48-K51 IonicContact OE2-NZ 3.22Å; E48-K51 PolarHBondContact OE2-NZ 3.34Å; E48-I52 HydrophobicContact CG-CD1 4.02Å; E48-I52 WeakPolarHBondContact O-CG1 3.46Å; E48-I52 PolarHBondContact O-N 2.85Å
49Q96.4Very high96.3Very high123 Ų12356.8 Ų56.858%0.57530%0.304SS*.Hα-helixtrans-60.6-41.2179.5-171.259.74300111.9M45 A46 V47 I52 A53M45-Q49 PolarHBondContact O-N 2.87Å; A46-Q49 PolarHBondContact O-N 2.96Å; V47-Q49 VanDerWaalsContact C-N 3.34Å; V47-Q49 PolarHBondContact O-N 3.49Å; Q49-I52 PolarHBondContact O-N 3.43Å; Q49-A53 WeakPolarHBondContact O-CB 3.29Å; Q49-A53 PolarHBondContact O-N 3.21Å
50A97.1Very high96.4Very high3 Ų357.6 Ų57.63%0.02531%0.309CS..Hα-helixtrans-65.2-41.9176.100000112.2A46 V47 E48 I52 A53 L54 T60 I62 I79A46-A50 VanDerWaalsContact O-CB 3.32Å; A46-A50 WeakPolarHBondContact O-CB 3.49Å; A46-A50 PolarHBondContact O-N 3.41Å; V47-A50 PolarHBondContact O-N 3.03Å; E48-A50 VanDerWaalsContact C-N 3.3Å; E48-A50 PolarHBondContact O-N 3.41Å; A50-I52 VanDerWaalsContact C-N 3.35Å; A50-I52 PolarHBondContact O-N 3.27Å; A50-A53 PolarHBondContact O-N 2.84Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 VanDerWaalsContact O-CG 3.26Å; A50-L54 WeakPolarHBondContact O-CG 3.26Å; A50-L54 PolarHBondContact O-N 2.97Å; A50-T60 HydrophobicContact CB-CG2 3.6Å; A50-I62 HydrophobicContact CB-CD1 3.66Å; A50-I62 HydrophobicContact CB-CG1 3.52Å; A50-I79 HydrophobicContact CB-CG2 4.27Å
51K95.5Very high96.5Very high15 Ų1557.1 Ų57.17%0.06531%0.309CS..Hα-helixtrans-59.7-45.6174.9-178.1-168.272-158.60111.3G11 F14 N15 V47 E48 L54 T55 F84 I125G11-K51 PolarHBondContact O-NZ 2.87Å; F14-K51 HydrophobicContact CB-CD 4.09Å; N15-K51 WeakPolarHBondContact OD1-CD 3.39Å; N15-K51 WeakPolarHBondContact OD1-CE 3.47Å; N15-K51 PolarHBondContact OD1-NZ 2.94Å; V47-K51 PolarHBondContact O-N 3.14Å; E48-K51 WeakPolarHBondContact O-CB 3.21Å; E48-K51 PolarHBondContact O-N 3.5Å; E48-K51 VanDerWaalsContact O-N 3.16Å; E48-K51 WeakPolarHBondContact OE1-CE 3.49Å; E48-K51 IonicContact OE1-NZ 3.41Å; E48-K51 PolarHBondContact OE1-NZ 3.41Å; E48-K51 IonicContact OE2-NZ 3.22Å; E48-K51 PolarHBondContact OE2-NZ 3.34Å; K51-L54 PolarHBondContact O-N 3.46Å; K51-T55 PolarHBondContact O-N 3.46Å; K51-T55 PolarHBondContact O-OG1 3.45Å; K51-F84 HydrophobicContact CD-CZ 4.42Å; K51-F84 HydrophobicContact CG-CE2 4.18Å; K51-F84 HydrophobicContact CG-CZ 3.9Å; K51-I125 HydrophobicContact CD-CD1 4.46Å
52I94.7Very high96.6Very high87 Ų8751.4 Ų51.445%0.44628%0.283SS..Hα-helixtrans-59.9-48.4176-65.9168000109.8E48 Q49 A50 L54 T55E48-I52 HydrophobicContact CG-CD1 4.02Å; E48-I52 WeakPolarHBondContact O-CG1 3.46Å; E48-I52 PolarHBondContact O-N 2.85Å; Q49-I52 PolarHBondContact O-N 3.43Å; A50-I52 VanDerWaalsContact C-N 3.35Å; A50-I52 PolarHBondContact O-N 3.27Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 2.76Å; I52-T55 WeakPolarHBondContact O-CB 3.34Å; I52-T55 PolarHBondContact O-N 3.33Å; I52-T55 VanDerWaalsContact O-N 3.1Å; I52-T55 PolarHBondContact O-OG1 3.16Å; I52-T55 VanDerWaalsContact O-OG1 3.12Å
53A96.7Very high96.6Very high14 Ų1455.2 Ų55.212%0.11630%0.295CS..Hα-helixtrans-59.9-40.9179.100000113Q49 A50 T55 S56 Q57 T60Q49-A53 WeakPolarHBondContact O-CB 3.29Å; Q49-A53 PolarHBondContact O-N 3.21Å; A50-A53 PolarHBondContact O-N 2.84Å; A53-T55 PolarHBondContact O-N 3.4Å; A53-T55 VanDerWaalsContact O-N 3.09Å; A53-S56 PolarHBondContact O-N 2.92Å; A53-S56 VanDerWaalsContact O-N 3.13Å; A53-S56 PolarHBondContact O-OG 3.03Å; A53-Q57 WeakPolarHBondContact O-CB 3.3Å; A53-Q57 PolarHBondContact O-N 3.26Å; A53-T60 HydrophobicContact CB-CG2 4.26Å
54L96.5Very high96.6Very high5 Ų555.9 Ų55.93%0.02630%0.298CS..Hα-helixtrans-64.3-13.7178.5-74174.2000114A50 K51 I52 S56 Q57 T60 I79 R81 F84A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 VanDerWaalsContact O-CG 3.26Å; A50-L54 WeakPolarHBondContact O-CG 3.26Å; A50-L54 PolarHBondContact O-N 2.97Å; K51-L54 PolarHBondContact O-N 3.46Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 2.76Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-Q57 CarbonylContact C-O 3.57Å; L54-Q57 WeakPolarHBondContact CA-O 3.35Å; L54-Q57 VanDerWaalsContact O-O 3.07Å; L54-T60 HydrophobicContact CD1-CG2 4.5Å; L54-T60 HydrophobicContact CD2-CG2 4.08Å; L54-T60 HydrophobicContact CG-CG2 3.87Å; L54-I79 HydrophobicContact CD1-CG1 4.08Å; L54-I79 HydrophobicContact CD1-CG2 4.03Å; L54-R81 HydrophobicContact CD2-CB 4.23Å; L54-R81 PolarHBondContact O-NE 3.36Å; L54-R81 PolarHBondContact O-NH2 3.04Å; L54-F84 HydrophobicContact CD1-CB 3.72Å; L54-F84 HydrophobicContact CD1-CD1 4.49Å; L54-F84 HydrophobicContact CD1-CD2 4.19Å; L54-F84 HydrophobicContact CD1-CG 3.88Å
55T93.4Very high96.6Very high40 Ų4057 Ų5725%0.24531%0.306CS..Hα-helixtrans-63.3-40.5172.9-59.50000111.3K51 I52 A53 R81 R124 P126K51-T55 PolarHBondContact O-N 3.46Å; K51-T55 PolarHBondContact O-OG1 3.45Å; I52-T55 WeakPolarHBondContact O-CB 3.34Å; I52-T55 PolarHBondContact O-N 3.33Å; I52-T55 VanDerWaalsContact O-N 3.1Å; I52-T55 PolarHBondContact O-OG1 3.16Å; I52-T55 VanDerWaalsContact O-OG1 3.12Å; A53-T55 PolarHBondContact O-N 3.4Å; A53-T55 VanDerWaalsContact O-N 3.09Å; T55-R81 PolarHBondContact O-NH2 2.89Å; T55-R124 HydrophobicContact CG2-CB 3.84Å; T55-R124 VanDerWaalsContact CG2-O 3.3Å; T55-R124 WeakPolarHBondContact CG2-O 3.3Å; T55-P126 WeakPolarHBondContact O-CG 3.26Å
56S94Very high96.5Very high98 Ų9851.2 Ų51.269%0.68528%0.278SS*.Hα-helixtrans-104.8-33.8179.656.60000112.6A53 L54 R81A53-S56 PolarHBondContact O-N 2.92Å; A53-S56 VanDerWaalsContact O-N 3.13Å; A53-S56 PolarHBondContact O-OG 3.03Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-R81 PolarHBondContact O-NH2 2.88Å; S56-R81 VanDerWaalsContact O-NH2 3.1Å
57Q97Very high96.4Very high99 Ų9953.2 Ų53.246%0.46329%0.294SS..  trans-96.2148.3-176.1-57.6175.8-8.100112.2A53 L54 E59 R81A53-Q57 WeakPolarHBondContact O-CB 3.3Å; A53-Q57 PolarHBondContact O-N 3.26Å; L54-Q57 CarbonylContact C-O 3.57Å; L54-Q57 WeakPolarHBondContact CA-O 3.35Å; L54-Q57 VanDerWaalsContact O-O 3.07Å; Q57-E59 VanDerWaalsContact C-N 3.33Å; Q57-E59 WeakPolarHBondContact CB-O 3.36Å; Q57-E59 PolarHBondContact OE1-O 2.92Å; Q57-R81 PolarHBondContact O-NE 3.01Å; Q57-R81 PolarHBondContact O-NH2 3.37Å
58L97.2Very high96Very high126 Ų12653.8 Ų53.866%0.6630%0.298SS*.SBendtrans-76.1-22.9175.6-69.8176000112.8T80 R81L58-T80 CarbonylContact O-C 3.59Å; L58-R81 WeakPolarHBondContact O-CB 3.24Å; L58-R81 PolarHBondContact O-N 3.47Å
59E98Very high95.8Very high116 Ų11652.1 Ų52.154%0.54229%0.29SS..EExtended strand (participates in β ladder)trans-151.1158.4176.562.3176.9-148.200110.5Q57 T78 I79 T80Q57-E59 VanDerWaalsContact C-N 3.33Å; Q57-E59 WeakPolarHBondContact CB-O 3.36Å; Q57-E59 PolarHBondContact OE1-O 2.92Å; E59-T78 HydrophobicContact CB-CG2 4.31Å; E59-I79 CarbonylContact C-O 3.58Å; E59-I79 VanDerWaalsContact CA-O 3.29Å; E59-I79 WeakPolarHBondContact CA-O 3.43Å; E59-T80 HydrophobicContact CB-CG2 4.14Å
60T98.2Very high95.4Very high25 Ų2553.6 Ų53.615%0.15330%0.302CS..EExtended strand (participates in β ladder)trans-151.1154.8173.5-1710000109.8A50 A53 L54 T78 I79A50-T60 HydrophobicContact CB-CG2 3.6Å; A53-T60 HydrophobicContact CB-CG2 4.26Å; L54-T60 HydrophobicContact CD1-CG2 4.5Å; L54-T60 HydrophobicContact CD2-CG2 4.08Å; L54-T60 HydrophobicContact CG-CG2 3.87Å; T60-T78 CarbonylContact O-C 3.51Å; T60-T78 WeakPolarHBondContact O-CA 3.46Å; T60-I79 HydrophobicContact CG2-CG2 3.59Å; T60-I79 PolarHBondContact N-O 3.49Å; T60-I79 PolarHBondContact O-N 2.9Å
61T98.2Very high95.1Very high51 Ų5160.7 Ų60.731%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-105.9122.4-180-62.30000110.4R76 T78T61-R76 HydrophobicContact CG2-CG 3.56Å; T61-T78 PolarHBondContact OG1-OG1 3.43Å
62I98Very high95Very high3 Ų364.9 Ų64.92%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-86.1124.2170-63.8172.3000107.5L18 L22 L43 A46 V47 A50 V64 R76 Y77 I79L18-I62 HydrophobicContact CD2-CD1 4.28Å; L22-I62 HydrophobicContact CD1-CD1 3.49Å; L22-I62 VanDerWaalsContact CD1-CD1 3.49Å; L22-I62 HydrophobicContact CD1-CG2 4.35Å; L22-I62 HydrophobicContact CD2-CD1 4.41Å; L43-I62 HydrophobicContact CD1-CG2 4.27Å; A46-I62 HydrophobicContact CB-CG2 3.9Å; V47-I62 HydrophobicContact CG2-CD1 4.46Å; A50-I62 HydrophobicContact CB-CD1 3.66Å; A50-I62 HydrophobicContact CB-CG1 3.52Å; I62-V64 HydrophobicContact CG2-CG2 4.26Å; I62-R76 CarbonylContact O-C 3.58Å; I62-R76 WeakPolarHBondContact O-CA 3.35Å; I62-Y77 PolarHBondContact N-O 3.4Å; I62-Y77 PolarHBondContact O-N 3.32Å; I62-I79 HydrophobicContact CD1-CG2 4.02Å; I62-I79 HydrophobicContact CG1-CG2 4.32Å
63Q96.7Very high95Very high119 Ų11962.1 Ų62.156%0.55635%0.351SS*.EExtended strand (participates in β ladder)trans-132.7124.8175.8-176.1173.6-27.700110.2F75Q63-F75 CarbonylContact C-O 3.59Å; Q63-F75 VanDerWaalsContact CA-O 3.26Å; Q63-F75 WeakPolarHBondContact CA-O 3.45Å
64V96.9Very high94.9Very high13 Ų1367 Ų678%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-144137-178-174.60000109.3A42 L43 A46 I62 L66 F75A42-V64 HydrophobicContact CB-CG1 3.68Å; L43-V64 HydrophobicContact CD1-CG2 4.05Å; A46-V64 HydrophobicContact CB-CG2 3.52Å; I62-V64 HydrophobicContact CG2-CG2 4.26Å; V64-L66 HydrophobicContact CB-CD2 4.31Å; V64-L66 HydrophobicContact CG1-CD2 3.77Å; V64-F75 PolarHBondContact N-O 3.07Å; V64-F75 WeakPolarHBondContact O-CB 3.35Å; V64-F75 PolarHBondContact O-N 3.26Å
65S96.3Very high94.9Very high61 Ų6166.7 Ų66.743%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-82.4123.6168.7-168.20000109V73 Q74S65-V73 CarbonylContact C-O 3.56Å; S65-V73 WeakPolarHBondContact CA-O 3.45Å; S65-Q74 PolarHBondContact OG-NE2 3.36Å; S65-Q74 VanDerWaalsContact OG-NE2 3.15Å
66L95.9Very high95.1Very high0 Ų071.5 Ų71.50%038%0.383CS..EExtended strand (participates in β ladder)trans-111.3128-178.5-55.5177.2000110.4V34 D39 V64 F69 P72 V73 F75V34-L66 HydrophobicContact CG2-CD1 3.98Å; D39-L66 HydrophobicContact CB-CD2 3.88Å; D39-L66 WeakPolarHBondContact OD1-CA 3.24Å; V64-L66 HydrophobicContact CB-CD2 4.31Å; V64-L66 HydrophobicContact CG1-CD2 3.77Å; L66-F69 HydrophobicContact CB-CD2 4.08Å; L66-F69 HydrophobicContact CB-CE2 3.76Å; L66-F69 HydrophobicContact CD1-CE2 3.79Å; L66-F69 HydrophobicContact CD1-CZ 4.47Å; L66-F69 HydrophobicContact CG-CE2 4.44Å; L66-P72 CarbonylContact O-C 3.58Å; L66-P72 VanDerWaalsContact O-CA 3.32Å; L66-P72 WeakPolarHBondContact O-CA 3.33Å; L66-V73 HydrophobicContact CB-CG2 3.91Å; L66-V73 HydrophobicContact CD1-CG2 4.48Å; L66-V73 PolarHBondContact N-O 3.1Å; L66-V73 PolarHBondContact O-N 3.31Å; L66-F75 HydrophobicContact CD1-CB 3.53Å; L66-F75 HydrophobicContact CD1-CG 4.05Å; L66-F75 HydrophobicContact CG-CB 3.95Å
67A94.2Very high95.3Very high63 Ų6368.6 Ų68.652%0.52136%0.357SS..  trans-96.5-4.7178.800000114.1D39 F69D39-A67 VanDerWaalsContact CG-N 3.25Å; D39-A67 PolarHBondContact OD1-N 3.33Å; D39-A67 PolarHBondContact OD2-N 3.43Å; A67-F69 PolarHBondContact O-N 2.94Å
68S90.6Very high95.4Very high12 Ų1266.3 Ų66.38%0.08435%0.35CS..SBendtrans-66.1-5-177.6-66.30000115.4R32 V34 E35 D36 D39R32-S68 PolarHBondContact NE-O 2.9Å; R32-S68 PolarHBondContact NH1-O 3.1Å; R32-S68 PolarHBondContact NH2-O 3.28Å; V34-S68 WeakPolarHBondContact CG1-OG 3.45Å; E35-S68 PolarHBondContact N-OG 3.18Å; D36-S68 VanDerWaalsContact CB-OG 3.27Å; D36-S68 WeakPolarHBondContact CB-OG 3.42Å; D36-S68 PolarHBondContact N-OG 3.29Å; D39-S68 VanDerWaalsContact OD2-CB 3.24Å; D39-S68 WeakPolarHBondContact OD2-CB 3.38Å; D39-S68 PolarHBondContact OD2-N 2.82Å; D39-S68 PolarHBondContact OD2-OG 2.95Å
69F90.9Very high95.4Very high21 Ų2160.3 Ų60.39%0.09232%0.319CS..SBendtrans-112.3169.1-173.2-53.5-80.7000110.8Y30 R32 V34 L66 A67 Q71 V73Y30-F69 AromaticContact CD2-CE1 3.85Å; Y30-F69 HydrophobicContact CD2-CE1 3.85Å; Y30-F69 AromaticContact CD2-CE2 3.81Å; Y30-F69 HydrophobicContact CD2-CE2 3.81Å; Y30-F69 AromaticContact CD2-CZ 3.42Å; Y30-F69 HydrophobicContact CD2-CZ 3.42Å; Y30-F69 VanDerWaalsContact CD2-CZ 3.42Å; Y30-F69 HydrophobicContact CE2-CE2 4.31Å; Y30-F69 HydrophobicContact CE2-CZ 4.29Å; Y30-F69 HydrophobicContact CG-CD1 4.16Å; Y30-F69 AromaticContact CG-CE1 3.81Å; Y30-F69 HydrophobicContact CG-CE1 3.81Å; Y30-F69 HydrophobicContact CG-CE2 4.28Å; Y30-F69 AromaticContact CG-CZ 3.85Å; Y30-F69 HydrophobicContact CG-CZ 3.85Å; R32-F69 HydrophobicContact CG-CD1 3.42Å; R32-F69 VanDerWaalsContact CG-CD1 3.42Å; R32-F69 HydrophobicContact CG-CE1 3.5Å; R32-F69 WeakPolarHBondContact O-CE1 3.49Å; V34-F69 HydrophobicContact CG2-CE2 4.26Å; V34-F69 HydrophobicContact CG2-CZ 3.89Å; L66-F69 HydrophobicContact CB-CD2 4.08Å; L66-F69 HydrophobicContact CB-CE2 3.76Å; L66-F69 HydrophobicContact CD1-CE2 3.79Å; L66-F69 HydrophobicContact CD1-CZ 4.47Å; L66-F69 HydrophobicContact CG-CE2 4.44Å; A67-F69 PolarHBondContact O-N 2.94Å; F69-Q71 PolarHBondContact O-N 3.18Å; F69-V73 HydrophobicContact CB-CG1 4.31Å; F69-V73 HydrophobicContact CD2-CB 4.47Å; F69-V73 HydrophobicContact CD2-CG1 4.33Å; F69-V73 HydrophobicContact CD2-CG2 3.36Å; F69-V73 HydrophobicContact CE2-CG2 3.64Å; F69-V73 HydrophobicContact CG-CG1 4.48Å; F69-V73 HydrophobicContact CG-CG2 4.23Å
70D88.4Confident95.4Very high154 Ų15457.1 Ų57.182%0.82431%0.307SS*.SBendtrans-56.2-28.1-175.8-57-22.3000112.9R32R32-D70 IonicContact NH1-OD1 3.1Å
71Q90.7Very high95.4Very high152 Ų15258.1 Ų58.171%0.7131%0.308SS*.SBendtrans-133.9148.7167.5-62.2-177.1-4.400109.2F69 V73F69-Q71 PolarHBondContact O-N 3.18Å; Q71-V73 WeakPolarHBondContact O-CG1 3.45Å; Q71-V73 PolarHBondContact O-N 3.35Å
72P91.9Very high95.3Very high103 Ų10359.8 Ų59.867%0.66932%0.32SS*.  trans-55.7127.2174.9-25.134.2000111.6L66L66-P72 CarbonylContact O-C 3.58Å; L66-P72 VanDerWaalsContact O-CA 3.32Å; L66-P72 WeakPolarHBondContact O-CA 3.33Å
73V95Very high95.3Very high30 Ų3061.5 Ų61.518%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-112.6144.8-179.5-58.20000111.1Y30 S65 L66 F69 Q71 F75Y30-V73 HydrophobicContact CD1-CG1 4.23Å; Y30-V73 HydrophobicContact CD1-CG2 4.32Å; Y30-V73 HydrophobicContact CD2-CG2 4.34Å; Y30-V73 HydrophobicContact CE1-CB 3.92Å; Y30-V73 HydrophobicContact CE1-CG1 4.04Å; Y30-V73 HydrophobicContact CE1-CG2 3.87Å; Y30-V73 HydrophobicContact CE2-CG2 3.89Å; S65-V73 CarbonylContact C-O 3.56Å; S65-V73 WeakPolarHBondContact CA-O 3.45Å; L66-V73 HydrophobicContact CB-CG2 3.91Å; L66-V73 HydrophobicContact CD1-CG2 4.48Å; L66-V73 PolarHBondContact N-O 3.1Å; L66-V73 PolarHBondContact O-N 3.31Å; F69-V73 HydrophobicContact CB-CG1 4.31Å; F69-V73 HydrophobicContact CD2-CB 4.47Å; F69-V73 HydrophobicContact CD2-CG1 4.33Å; F69-V73 HydrophobicContact CD2-CG2 3.36Å; F69-V73 HydrophobicContact CE2-CG2 3.64Å; F69-V73 HydrophobicContact CG-CG1 4.48Å; F69-V73 HydrophobicContact CG-CG2 4.23Å; Q71-V73 WeakPolarHBondContact O-CG1 3.45Å; Q71-V73 PolarHBondContact O-N 3.35Å; V73-F75 PolarHBondContact O-N 3.5Å
74Q95.7Very high95.3Very high115 Ų11556.1 Ų56.154%0.53730%0.304SS..EExtended strand (participates in β ladder)trans-87.8103.4169.1-65.8-62.4-35.500109.1Y30 S65Y30-Q74 PolarHBondContact OH-O 3.22Å; S65-Q74 PolarHBondContact OG-NE2 3.36Å; S65-Q74 VanDerWaalsContact OG-NE2 3.15Å
75F96.6Very high95.3Very high0 Ų057.5 Ų57.50%031%0.309CS..EExtended strand (participates in β ladder)trans-80.6123.3172.9178.6-105.3000109.9L22 I25 A26 Y30 L43 Q63 V64 L66 V73L22-F75 HydrophobicContact CB-CE1 4.33Å; L22-F75 HydrophobicContact CB-CZ 4.27Å; L22-F75 HydrophobicContact CD2-CE1 4.12Å; L22-F75 HydrophobicContact CD2-CZ 4.05Å; I25-F75 HydrophobicContact CG2-CE2 4.25Å; A26-F75 HydrophobicContact CB-CD2 4.24Å; A26-F75 HydrophobicContact CB-CE2 3.96Å; Y30-F75 AromaticContact CE2-CD2 3.86Å; Y30-F75 HydrophobicContact CE2-CD2 3.86Å; Y30-F75 WeakPolarHBondContact OH-CA 3.32Å; L43-F75 HydrophobicContact CD1-CD1 4.07Å; L43-F75 HydrophobicContact CD1-CE1 4.04Å; Q63-F75 CarbonylContact C-O 3.59Å; Q63-F75 VanDerWaalsContact CA-O 3.26Å; Q63-F75 WeakPolarHBondContact CA-O 3.45Å; V64-F75 PolarHBondContact N-O 3.07Å; V64-F75 WeakPolarHBondContact O-CB 3.35Å; V64-F75 PolarHBondContact O-N 3.26Å; L66-F75 HydrophobicContact CD1-CB 3.53Å; L66-F75 HydrophobicContact CD1-CG 4.05Å; L66-F75 HydrophobicContact CG-CB 3.95Å; V73-F75 PolarHBondContact O-N 3.5Å
76R97.2Very high95.4Very high141 Ų14161.3 Ų61.353%0.53232%0.32SS..EExtended strand (participates in β ladder)trans-129.1127.7176.4-168.5179.8-169.5-94.5-1.2110.6R29 T61 I62R29-R76 PolarHBondContact NH1-O 2.87Å; T61-R76 HydrophobicContact CG2-CG 3.56Å; I62-R76 CarbonylContact O-C 3.58Å; I62-R76 WeakPolarHBondContact O-CA 3.35Å
77Y98Very high95.4Very high37 Ų3763.6 Ų63.615%0.14533%0.332CS..EExtended strand (participates in β ladder)trans-143.5126.3175.4-170.1-86.1000111F21 L22 I25 I62 I79 L83F21-Y77 AromaticContact CE1-CE1 3.77Å; F21-Y77 HydrophobicContact CE1-CE1 3.77Å; F21-Y77 HydrophobicContact CE1-CE2 4.2Å; F21-Y77 AromaticContact CE1-CZ 3.54Å; F21-Y77 WeakPolarHBondContact CE1-OH 3.49Å; F21-Y77 HydrophobicContact CZ-CE2 4.47Å; F21-Y77 AromaticContact CZ-CZ 3.9Å; F21-Y77 WeakPolarHBondContact CZ-OH 3.26Å; L22-Y77 HydrophobicContact CD2-CD1 3.63Å; L22-Y77 HydrophobicContact CD2-CD2 4.44Å; L22-Y77 HydrophobicContact CD2-CE1 4.34Å; L22-Y77 HydrophobicContact CD2-CG 3.71Å; I25-Y77 HydrophobicContact CG1-CE2 4.28Å; I25-Y77 HydrophobicContact CG2-CD2 4Å; I25-Y77 HydrophobicContact CG2-CE2 4.22Å; I62-Y77 PolarHBondContact N-O 3.4Å; I62-Y77 PolarHBondContact O-N 3.32Å; Y77-I79 HydrophobicContact CD1-CB 4.26Å; Y77-I79 HydrophobicContact CE1-CB 4.21Å; Y77-I79 HydrophobicContact CE1-CD1 4.25Å; Y77-L83 HydrophobicContact CE1-CD2 4.43Å; Y77-L83 WeakPolarHBondContact OH-CD2 3.31Å
78T98.2Very high95.5Very high51 Ų5160.6 Ų60.631%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-91.2115.7173.7-55.70000109.3E59 T60 T61E59-T78 HydrophobicContact CB-CG2 4.31Å; T60-T78 CarbonylContact O-C 3.51Å; T60-T78 WeakPolarHBondContact O-CA 3.46Å; T61-T78 PolarHBondContact OG1-OG1 3.43Å
79I98.1Very high95.6Very high0 Ų069 Ų690%034%0.337CS..EExtended strand (participates in β ladder)trans-99.3130.9177.2-177.463.9000108.9L18 A50 L54 E59 T60 I62 Y77 L83 F84 L87L18-I79 HydrophobicContact CD1-CD1 3.94Å; L18-I79 HydrophobicContact CD1-CG1 4.01Å; A50-I79 HydrophobicContact CB-CG2 4.27Å; L54-I79 HydrophobicContact CD1-CG1 4.08Å; L54-I79 HydrophobicContact CD1-CG2 4.03Å; E59-I79 CarbonylContact C-O 3.58Å; E59-I79 VanDerWaalsContact CA-O 3.29Å; E59-I79 WeakPolarHBondContact CA-O 3.43Å; T60-I79 HydrophobicContact CG2-CG2 3.59Å; T60-I79 PolarHBondContact N-O 3.49Å; T60-I79 PolarHBondContact O-N 2.9Å; I62-I79 HydrophobicContact CD1-CG2 4.02Å; I62-I79 HydrophobicContact CG1-CG2 4.32Å; Y77-I79 HydrophobicContact CD1-CB 4.26Å; Y77-I79 HydrophobicContact CE1-CB 4.21Å; Y77-I79 HydrophobicContact CE1-CD1 4.25Å; I79-L83 HydrophobicContact CD1-CB 3.95Å; I79-L83 HydrophobicContact CD1-CD2 3.65Å; I79-L83 HydrophobicContact CD1-CG 3.66Å; I79-F84 HydrophobicContact CG1-CB 4.3Å; I79-L87 HydrophobicContact CD1-CD1 4.49Å
80T98.2Very high95.7Very high49 Ų4971.3 Ų71.330%0.30136%0.356SS..EExtended strand (participates in β ladder)trans-98.7152.6175.267.70000110.3L58 E59 L83 F84L58-T80 CarbonylContact O-C 3.59Å; E59-T80 HydrophobicContact CB-CG2 4.14Å; T80-L83 PolarHBondContact O-N 2.75Å; T80-L83 WeakPolarHBondContact OG1-CB 3.46Å; T80-L83 PolarHBondContact OG1-N 3.03Å; T80-F84 PolarHBondContact O-N 2.64Å
81R97.2Very high95.9Very high45 Ų4564.2 Ų64.217%0.1732%0.318CS..Hα-helixtrans-57-45.9176.9-175-174.4-62.3170.21.6111.8L54 T55 S56 Q57 L58 L83 F84 E85L54-R81 HydrophobicContact CD2-CB 4.23Å; L54-R81 PolarHBondContact O-NE 3.36Å; L54-R81 PolarHBondContact O-NH2 3.04Å; T55-R81 PolarHBondContact O-NH2 2.89Å; S56-R81 PolarHBondContact O-NH2 2.88Å; S56-R81 VanDerWaalsContact O-NH2 3.1Å; Q57-R81 PolarHBondContact O-NE 3.01Å; Q57-R81 PolarHBondContact O-NH2 3.37Å; L58-R81 WeakPolarHBondContact O-CB 3.24Å; L58-R81 PolarHBondContact O-N 3.47Å; R81-L83 VanDerWaalsContact C-N 3.32Å; R81-L83 PolarHBondContact O-N 3.1Å; R81-F84 PolarHBondContact O-N 2.93Å; R81-E85 HydrophobicContact CG-CG 4.36Å; R81-E85 WeakPolarHBondContact CG-OE1 3.46Å; R81-E85 WeakPolarHBondContact O-CB 3.35Å; R81-E85 WeakPolarHBondContact O-CG 3.31Å; R81-E85 PolarHBondContact O-N 3.37Å
82P97.3Very high96Very high87 Ų8757.3 Ų57.357%0.56529%0.286SS*.Hα-helixtrans-59.2-39.9176.3-25.636.1000113.4E85 Q86P82-E85 PolarHBondContact O-N 2.92Å; P82-Q86 WeakPolarHBondContact O-CB 3.46Å; P82-Q86 PolarHBondContact O-N 2.91Å
83L97.5Very high95.9Very high39 Ų3961.7 Ų61.720%0.20429%0.289CS..Hα-helixtrans-67.8-44.1177.1178.656.8000111.2F21 Y77 I79 T80 R81 E85 Q86 L87F21-L83 HydrophobicContact CE1-CD2 4.29Å; F21-L83 HydrophobicContact CZ-CD2 4.13Å; Y77-L83 HydrophobicContact CE1-CD2 4.43Å; Y77-L83 WeakPolarHBondContact OH-CD2 3.31Å; I79-L83 HydrophobicContact CD1-CB 3.95Å; I79-L83 HydrophobicContact CD1-CD2 3.65Å; I79-L83 HydrophobicContact CD1-CG 3.66Å; T80-L83 PolarHBondContact O-N 2.75Å; T80-L83 WeakPolarHBondContact OG1-CB 3.46Å; T80-L83 PolarHBondContact OG1-N 3.03Å; R81-L83 VanDerWaalsContact C-N 3.32Å; R81-L83 PolarHBondContact O-N 3.1Å; L83-E85 VanDerWaalsContact C-N 3.28Å; L83-E85 PolarHBondContact O-N 2.92Å; L83-Q86 WeakPolarHBondContact O-CB 3.39Å; L83-Q86 PolarHBondContact O-N 2.75Å; L83-L87 HydrophobicContact CD1-CG 4.32Å; L83-L87 HydrophobicContact CG-CD1 4.39Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.32Å; L83-L87 PolarHBondContact O-N 3.25Å
84F97.5Very high95.7Very high5 Ų566.1 Ų66.12%0.02230%0.303CS..Hα-helixtrans-58-42.3173.4173.3-97000111.8F14 L18 K51 L54 I79 T80 R81 Q86 L87 N88 F92 I125F14-F84 HydrophobicContact CB-CE2 4.39Å; F14-F84 HydrophobicContact CB-CZ 4.08Å; F14-F84 HydrophobicContact CD1-CZ 4.09Å; F14-F84 HydrophobicContact CG-CZ 4.41Å; L18-F84 HydrophobicContact CD2-CD2 4.2Å; K51-F84 HydrophobicContact CD-CZ 4.42Å; K51-F84 HydrophobicContact CG-CE2 4.18Å; K51-F84 HydrophobicContact CG-CZ 3.9Å; L54-F84 HydrophobicContact CD1-CB 3.72Å; L54-F84 HydrophobicContact CD1-CD1 4.49Å; L54-F84 HydrophobicContact CD1-CD2 4.19Å; L54-F84 HydrophobicContact CD1-CG 3.88Å; I79-F84 HydrophobicContact CG1-CB 4.3Å; T80-F84 PolarHBondContact O-N 2.64Å; R81-F84 PolarHBondContact O-N 2.93Å; F84-Q86 VanDerWaalsContact C-N 3.35Å; F84-L87 PolarHBondContact O-N 3.31Å; F84-N88 WeakPolarHBondContact CD2-ND2 3.26Å; F84-N88 VanDerWaalsContact CE2-ND2 3.29Å; F84-N88 WeakPolarHBondContact CE2-ND2 3.5Å; F84-N88 PolarHBondContact O-N 3.32Å; F84-N88 PolarHBondContact O-ND2 3.07Å; F84-F92 HydrophobicContact CE1-CZ 4.36Å; F84-I125 HydrophobicContact CE1-CD1 4.43Å; F84-I125 HydrophobicContact CE1-CG2 4.37Å; F84-I125 HydrophobicContact CZ-CD1 4.41Å
85E96.6Very high95.3Very high42 Ų4261.9 Ų61.920%0.19629%0.287CS..Hα-helixtrans-65.5-39.9177.8-73.6-179.3-163.100112.1R81 P82 L83 N88 R89 F92 K127R81-E85 HydrophobicContact CG-CG 4.36Å; R81-E85 WeakPolarHBondContact CG-OE1 3.46Å; R81-E85 WeakPolarHBondContact O-CB 3.35Å; R81-E85 WeakPolarHBondContact O-CG 3.31Å; R81-E85 PolarHBondContact O-N 3.37Å; P82-E85 PolarHBondContact O-N 2.92Å; L83-E85 VanDerWaalsContact C-N 3.28Å; L83-E85 PolarHBondContact O-N 2.92Å; E85-N88 CarbonylContact O-C 3.34Å; E85-N88 PolarHBondContact O-N 3.47Å; E85-R89 PolarHBondContact O-N 3.36Å; E85-R89 VanDerWaalsContact O-N 3.08Å; E85-F92 HydrophobicContact CB-CE2 4.22Å; E85-F92 HydrophobicContact CG-CE2 4.34Å; E85-F92 WeakPolarHBondContact O-CE2 3.44Å; E85-K127 HydrophobicContact CB-CG 4.48Å; E85-K127 HydrophobicContact CG-CB 3.82Å; E85-K127 HydrophobicContact CG-CD 4.43Å; E85-K127 HydrophobicContact CG-CG 3.92Å; E85-K127 WeakPolarHBondContact OE2-CD 3.45Å; E85-K127 IonicContact OE2-NZ 3.7Å
86Q96.8Very high95Very high142 Ų14263.2 Ų63.266%0.66429%0.294SS*.Hα-helixtrans-62.5-46.6176.2-178.4-178.3-3.300111.6P82 L83 F84 N88 R89P82-Q86 WeakPolarHBondContact O-CB 3.46Å; P82-Q86 PolarHBondContact O-N 2.91Å; L83-Q86 WeakPolarHBondContact O-CB 3.39Å; L83-Q86 PolarHBondContact O-N 2.75Å; F84-Q86 VanDerWaalsContact C-N 3.35Å; Q86-N88 PolarHBondContact O-N 3.05Å; Q86-R89 WeakPolarHBondContact O-CB 3.5Å; Q86-R89 PolarHBondContact O-N 3.1Å
87L96.5Very high94.8Very high48 Ų4862.3 Ų62.325%0.25129%0.294SS..Hα-helixtrans-59.3-28.8178.2-70.3173.1000112.4L18 F21 I79 L83 F84L18-L87 HydrophobicContact CD1-CD1 4.04Å; F21-L87 HydrophobicContact CB-CD1 4.02Å; F21-L87 HydrophobicContact CB-CD2 4.19Å; F21-L87 HydrophobicContact CD1-CD1 3.97Å; F21-L87 HydrophobicContact CD2-CD1 4.33Å; F21-L87 HydrophobicContact CD2-CD2 3.83Å; F21-L87 HydrophobicContact CE2-CD2 4.48Å; F21-L87 HydrophobicContact CG-CD1 3.83Å; F21-L87 HydrophobicContact CG-CD2 4.06Å; I79-L87 HydrophobicContact CD1-CD1 4.49Å; L83-L87 HydrophobicContact CD1-CG 4.32Å; L83-L87 HydrophobicContact CG-CD1 4.39Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.32Å; L83-L87 PolarHBondContact O-N 3.25Å; F84-L87 PolarHBondContact O-N 3.31Å
88N95.9Very high94.4Very high0 Ų064.4 Ų64.40%031%0.312CS..THydrogen-bonded Turntrans-109.814.5-174.5-66-66.3000114F14 N17 F84 E85 Q86 S90 L91 F92F14-N88 HydrophobicContact CD1-CB 3.71Å; F14-N88 HydrophobicContact CE1-CB 3.91Å; N17-N88 WeakPolarHBondContact CB-OD1 3.45Å; N17-N88 PolarHBondContact ND2-OD1 2.91Å; F84-N88 WeakPolarHBondContact CD2-ND2 3.26Å; F84-N88 VanDerWaalsContact CE2-ND2 3.29Å; F84-N88 WeakPolarHBondContact CE2-ND2 3.5Å; F84-N88 PolarHBondContact O-N 3.32Å; F84-N88 PolarHBondContact O-ND2 3.07Å; E85-N88 CarbonylContact O-C 3.34Å; E85-N88 PolarHBondContact O-N 3.47Å; Q86-N88 PolarHBondContact O-N 3.05Å; N88-S90 VanDerWaalsContact C-N 3.25Å; N88-S90 PolarHBondContact O-N 3.47Å; N88-L91 WeakPolarHBondContact O-CB 3.36Å; N88-L91 PolarHBondContact O-N 3.4Å; N88-F92 HydrophobicContact CB-CD2 4.38Å; N88-F92 HydrophobicContact CB-CE2 3.74Å; N88-F92 HydrophobicContact CB-CZ 3.88Å; N88-F92 WeakPolarHBondContact O-CD2 3.47Å; N88-F92 PolarHBondContact O-N 3.12Å; N88-F92 VanDerWaalsContact O-N 3.09Å
89R94.5Very high94.1Very high187 Ų18763.9 Ų63.971%0.70631%0.307SS*.Hα-helixtrans-54.2-39.9-177.2-170.3-179.2-122.2-157.80.6113.3E85 Q86 R93E85-R89 PolarHBondContact O-N 3.36Å; E85-R89 VanDerWaalsContact O-N 3.08Å; Q86-R89 WeakPolarHBondContact O-CB 3.5Å; Q86-R89 PolarHBondContact O-N 3.1Å; R89-R93 WeakPolarHBondContact O-CG 3.21Å; R89-R93 PolarHBondContact O-N 3.42Å
90S92.6Very high93.9Very high70 Ų7067.4 Ų67.449%0.4932%0.324SS..Hα-helixtrans-67.3-38.9178.458.30000112.2N88 R93 R94N88-S90 VanDerWaalsContact C-N 3.25Å; N88-S90 PolarHBondContact O-N 3.47Å; S90-R93 PolarHBondContact O-N 3.44Å; S90-R94 WeakPolarHBondContact O-CG 3.29Å; S90-R94 PolarHBondContact O-N 2.98Å
91L92.5Very high93.7Very high5 Ų568.2 Ų68.23%0.02633%0.329CS..Hα-helixtrans-65.9-43.5177.5-66.5-178.3000111.4L9 D13 F14 N17 N88 R93 R94 A95L9-L91 HydrophobicContact CD1-CD2 3.78Å; L9-L91 HydrophobicContact CG-CD2 4.39Å; D13-L91 HydrophobicContact CB-CD1 3.62Å; D13-L91 HydrophobicContact CB-CD2 4.1Å; F14-L91 HydrophobicContact CD1-CD1 3.9Å; F14-L91 HydrophobicContact CE1-CB 3.86Å; F14-L91 HydrophobicContact CE1-CD1 3.97Å; F14-L91 HydrophobicContact CG-CD1 4.2Å; F14-L91 HydrophobicContact CZ-CB 4.08Å; F14-L91 HydrophobicContact CZ-CD1 4.36Å; N17-L91 VanDerWaalsContact ND2-CD1 3.3Å; N17-L91 WeakPolarHBondContact ND2-CD1 3.46Å; N88-L91 WeakPolarHBondContact O-CB 3.36Å; N88-L91 PolarHBondContact O-N 3.4Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.38Å; L91-R94 PolarHBondContact O-N 2.91Å; L91-A95 PolarHBondContact O-N 3.44Å
92F92.1Very high93.4Very high8 Ų868.9 Ų68.94%0.03534%0.343CS..Hα-helixtrans-61.3-36.7177.4-59.6-50.1000112.8F14 F84 E85 N88 A95 I125 K127 I128 V131F14-F92 HydrophobicContact CD1-CE1 4.24Å; F14-F92 HydrophobicContact CD1-CZ 4.42Å; F14-F92 AromaticContact CE1-CD1 3.83Å; F14-F92 HydrophobicContact CE1-CD1 3.83Å; F14-F92 AromaticContact CE1-CE1 3.33Å; F14-F92 HydrophobicContact CE1-CE1 3.33Å; F14-F92 AromaticContact CE1-CZ 3.86Å; F14-F92 HydrophobicContact CE1-CZ 3.86Å; F14-F92 HydrophobicContact CZ-CD1 4.14Å; F14-F92 AromaticContact CZ-CE1 3.91Å; F14-F92 HydrophobicContact CZ-CE1 3.91Å; F84-F92 HydrophobicContact CE1-CZ 4.36Å; E85-F92 HydrophobicContact CB-CE2 4.22Å; E85-F92 HydrophobicContact CG-CE2 4.34Å; E85-F92 WeakPolarHBondContact O-CE2 3.44Å; N88-F92 HydrophobicContact CB-CD2 4.38Å; N88-F92 HydrophobicContact CB-CE2 3.74Å; N88-F92 HydrophobicContact CB-CZ 3.88Å; N88-F92 WeakPolarHBondContact O-CD2 3.47Å; N88-F92 PolarHBondContact O-N 3.12Å; N88-F92 VanDerWaalsContact O-N 3.09Å; F92-A95 WeakPolarHBondContact O-CB 3.44Å; F92-A95 PolarHBondContact O-N 3.22Å; F92-I125 HydrophobicContact CE1-CG2 4.12Å; F92-I125 HydrophobicContact CZ-CG2 4.32Å; F92-K127 HydrophobicContact CD1-CG 4.35Å; F92-K127 HydrophobicContact CD2-CG 3.71Å; F92-K127 HydrophobicContact CE1-CB 4.12Å; F92-K127 HydrophobicContact CE1-CG 4.3Å; F92-K127 HydrophobicContact CE2-CB 4.1Å; F92-K127 HydrophobicContact CE2-CG 3.66Å; F92-K127 HydrophobicContact CG-CG 4.08Å; F92-K127 HydrophobicContact CZ-CB 3.89Å; F92-K127 HydrophobicContact CZ-CG 3.97Å; F92-I128 HydrophobicContact CD1-CD1 4.31Å; F92-I128 HydrophobicContact CD1-CG1 3.53Å; F92-I128 HydrophobicContact CE1-CD1 4.16Å; F92-I128 HydrophobicContact CE1-CG1 3.59Å; F92-V131 HydrophobicContact CB-CG2 4.4Å
93R89.6Confident93.3Very high194 Ų19465.6 Ų65.673%0.73232%0.321SS*.Hα-helixtrans-68.9-43.1174.8-67.9-179.974.1177.84.6111.8R89 S90 L91 A95 L96R89-R93 WeakPolarHBondContact O-CG 3.21Å; R89-R93 PolarHBondContact O-N 3.42Å; S90-R93 PolarHBondContact O-N 3.44Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.38Å; R93-A95 PolarHBondContact O-N 3.31Å; R93-L96 PolarHBondContact O-N 3.37Å
94R90.5Very high93.2Very high123 Ų12367.3 Ų67.346%0.46434%0.341SS..Hα-helixtrans-64.2-25.1177.5-73.6172.364.3-151.2-7.2112.4H8 L9 S90 L91 L96 K97 P98H8-R94 PolarHBondContact O-NH2 3.12Å; L9-R94 HydrophobicContact CD1-CB 3.47Å; L9-R94 VanDerWaalsContact CD1-CB 3.47Å; L9-R94 HydrophobicContact CD1-CG 4.37Å; L9-R94 HydrophobicContact CD2-CB 4.32Å; S90-R94 WeakPolarHBondContact O-CG 3.29Å; S90-R94 PolarHBondContact O-N 2.98Å; L91-R94 PolarHBondContact O-N 2.91Å; R94-L96 PolarHBondContact O-N 3.05Å; R94-K97 WeakPolarHBondContact O-CB 3.33Å; R94-K97 PolarHBondContact O-N 2.79Å; R94-K97 VanDerWaalsContact O-N 3.1Å; R94-P98 WeakPolarHBondContact O-CD 3.48Å
95A87.7Confident93.1Very high26 Ų2673.5 Ų73.522%0.21537%0.374CS..THydrogen-bonded Turntrans-63.6-22.7175.600000113.6L9 L91 F92 R93L9-A95 HydrophobicContact CD2-CB 3.84Å; L91-A95 PolarHBondContact O-N 3.44Å; F92-A95 WeakPolarHBondContact O-CB 3.44Å; F92-A95 PolarHBondContact O-N 3.22Å; R93-A95 PolarHBondContact O-N 3.31Å
96L91.2Very high93Very high28 Ų2874.1 Ų74.115%0.14739%0.387CS..THydrogen-bonded Turntrans-77.9-22.4174.9-63.7178.1000112.7R93 R94 I99 E100 V131 Y135R93-L96 PolarHBondContact O-N 3.37Å; R94-L96 PolarHBondContact O-N 3.05Å; L96-I99 HydrophobicContact CD2-CD1 4.16Å; L96-I99 WeakPolarHBondContact O-CA 3.38Å; L96-I99 WeakPolarHBondContact O-CB 3.43Å; L96-I99 PolarHBondContact O-N 2.89Å; L96-E100 PolarHBondContact O-N 3.1Å; L96-V131 HydrophobicContact CD1-CG1 3.8Å; L96-V131 HydrophobicContact CD2-CG1 3.86Å; L96-V131 HydrophobicContact CG-CG1 3.83Å; L96-Y135 HydrophobicContact CD1-CD2 3.98Å; L96-Y135 HydrophobicContact CD2-CD2 4.05Å; L96-Y135 HydrophobicContact CD2-CG 3.87Å; L96-Y135 HydrophobicContact CG-CD2 4.43Å
97K91.6Very high92.9Very high122 Ų12274.9 Ų74.953%0.5340%0.395SS..Hα-helixtrans-62.3-43.4-172.6-169.365.2-170.9167.60113.6R94 I99 E100 V101R94-K97 WeakPolarHBondContact O-CB 3.33Å; R94-K97 PolarHBondContact O-N 2.79Å; R94-K97 VanDerWaalsContact O-N 3.1Å; K97-I99 PolarHBondContact O-N 3.32Å; K97-E100 VanDerWaalsContact CD-OE2 3.31Å; K97-E100 WeakPolarHBondContact CD-OE2 3.42Å; K97-E100 IonicContact NZ-OE2 2.9Å; K97-E100 PolarHBondContact NZ-OE2 2.93Å; K97-E100 PolarHBondContact O-N 3.47Å; K97-V101 WeakPolarHBondContact O-CG2 3.38Å; K97-V101 PolarHBondContact O-N 3.35Å; K97-V101 VanDerWaalsContact O-N 3.13Å
98P90.7Very high92.8Very high81 Ų8176.4 Ų76.453%0.52640%0.402SS..Hα-helixtrans-62.6-30.5173.8-23.835.4000113.4R94 A102R94-P98 WeakPolarHBondContact O-CD 3.48Å; P98-A102 VanDerWaalsContact O-CB 3.3Å; P98-A102 WeakPolarHBondContact O-CB 3.36Å; P98-A102 PolarHBondContact O-N 3.12Å
99I91.9Very high92.7Very high40 Ų4084 Ų8421%0.20543%0.43CS..Hα-helixtrans-69.9-46.7178.4-56.7175.5000109.9L96 K97 V101 A102 L103 V132 Y135 F136L96-I99 HydrophobicContact CD2-CD1 4.16Å; L96-I99 WeakPolarHBondContact O-CA 3.38Å; L96-I99 WeakPolarHBondContact O-CB 3.43Å; L96-I99 PolarHBondContact O-N 2.89Å; K97-I99 PolarHBondContact O-N 3.32Å; I99-V101 VanDerWaalsContact C-N 3.3Å; I99-V101 PolarHBondContact O-N 2.85Å; I99-A102 PolarHBondContact O-N 3.13Å; I99-L103 HydrophobicContact CG2-CD1 4.16Å; I99-L103 WeakPolarHBondContact O-CG 3.36Å; I99-L103 PolarHBondContact O-N 3.09Å; I99-V132 HydrophobicContact CD1-CG1 4.42Å; I99-V132 HydrophobicContact CD1-CG2 4.17Å; I99-Y135 HydrophobicContact CG2-CD1 4.14Å; I99-Y135 HydrophobicContact CG2-CE1 3.73Å; I99-F136 HydrophobicContact CD1-CE2 4.4Å; I99-F136 HydrophobicContact CG2-CE2 3.83Å; I99-F136 HydrophobicContact CG2-CZ 3.48Å; I99-F136 VanDerWaalsContact CG2-CZ 3.48Å
100E93.1Very high92.7Very high74 Ų7476.4 Ų76.435%0.34641%0.405SS..Hα-helixtrans-55.7-45.5174.6-70.3170.2-165.800111.8L96 K97 A104 Y135L96-E100 PolarHBondContact O-N 3.1Å; K97-E100 VanDerWaalsContact CD-OE2 3.31Å; K97-E100 WeakPolarHBondContact CD-OE2 3.42Å; K97-E100 IonicContact NZ-OE2 2.9Å; K97-E100 PolarHBondContact NZ-OE2 2.93Å; K97-E100 PolarHBondContact O-N 3.47Å; E100-A104 WeakPolarHBondContact O-CB 3.12Å; E100-A104 PolarHBondContact O-N 3.34Å; E100-Y135 HydrophobicContact CG-CE2 4.07Å; E100-Y135 WeakPolarHBondContact CG-OH 3.38Å
101V93.5Very high92.8Very high67 Ų6778.4 Ų78.441%0.40641%0.407SS..Hα-helixtrans-65.8-45.6179.41740000110.7K97 I99 L103 A104 D105K97-V101 WeakPolarHBondContact O-CG2 3.38Å; K97-V101 PolarHBondContact O-N 3.35Å; K97-V101 VanDerWaalsContact O-N 3.13Å; I99-V101 VanDerWaalsContact C-N 3.3Å; I99-V101 PolarHBondContact O-N 2.85Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 3.02Å; V101-A104 PolarHBondContact O-N 3.4Å; V101-D105 WeakPolarHBondContact O-CB 3.38Å; V101-D105 VanDerWaalsContact O-CG 3.27Å; V101-D105 PolarHBondContact O-N 3.11Å
102A93Very high92.9Very high58 Ų5881 Ų8148%0.47942%0.42SS..Hα-helixtrans-62.6-38.4179.700000113P98 I99 A106P98-A102 VanDerWaalsContact O-CB 3.3Å; P98-A102 WeakPolarHBondContact O-CB 3.36Å; P98-A102 PolarHBondContact O-N 3.12Å; I99-A102 PolarHBondContact O-N 3.13Å; A102-A106 WeakPolarHBondContact O-CB 3.29Å; A102-A106 PolarHBondContact O-N 3.37Å
103L94.3Very high93Very high19 Ų1981.8 Ų81.810%0.09943%0.426CS..Hα-helixtrans-67.7-43.2175.4-74.1172.8000112I99 V101 A106 D107 M108 V110 V113 Y135 F136I99-L103 HydrophobicContact CG2-CD1 4.16Å; I99-L103 WeakPolarHBondContact O-CG 3.36Å; I99-L103 PolarHBondContact O-N 3.09Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 3.02Å; L103-A106 CarbonylContact O-C 3.11Å; L103-A106 PolarHBondContact O-N 3.37Å; L103-D107 PolarHBondContact O-N 2.93Å; L103-D107 VanDerWaalsContact O-N 3.11Å; L103-M108 HydrophobicContact CD2-CB 4.06Å; L103-M108 PolarHBondContact O-N 3.41Å; L103-V110 HydrophobicContact CD1-CG1 3.79Å; L103-V113 HydrophobicContact CD2-CG2 3.63Å; L103-Y135 HydrophobicContact CD1-CE1 3.93Å; L103-F136 HydrophobicContact CD1-CE1 4.18Å; L103-F136 HydrophobicContact CD1-CZ 4.46Å
104A94.4Very high93.2Very high74 Ų7479.4 Ų79.461%0.61243%0.428SS*.Hα-helixtrans-63.9-42177.400000112.1E100 V101 A106 D107E100-A104 WeakPolarHBondContact O-CB 3.12Å; E100-A104 PolarHBondContact O-N 3.34Å; V101-A104 PolarHBondContact O-N 3.4Å; A104-A106 PolarHBondContact O-N 3.42Å; A104-D107 PolarHBondContact O-N 2.96Å
105D95.6Very high93.2Very high135 Ų13578.8 Ų78.872%0.72243%0.43SS*.Hα-helixtrans-65.8-26.9177.2-70.6-14.2000112.2V101V101-D105 WeakPolarHBondContact O-CB 3.38Å; V101-D105 VanDerWaalsContact O-CG 3.27Å; V101-D105 PolarHBondContact O-N 3.11Å
106A94.9Very high93.5Very high56 Ų5678.2 Ų78.246%0.46342%0.423SS..THydrogen-bonded Turntrans-90.1-3176.500000114A102 L103 A104 M108A102-A106 WeakPolarHBondContact O-CB 3.29Å; A102-A106 PolarHBondContact O-N 3.37Å; L103-A106 CarbonylContact O-C 3.11Å; L103-A106 PolarHBondContact O-N 3.37Å; A104-A106 PolarHBondContact O-N 3.42Å; A106-M108 HydrophobicContact CB-CB 4.33Å; A106-M108 HydrophobicContact CB-CG 3.94Å; A106-M108 HydrophobicContact CB-SD 4.05Å; A106-M108 PolarHBondContact O-N 3.02Å
107D95Very high93.5Very high157 Ų15779.9 Ų79.984%0.8444%0.435SS*.THydrogen-bonded Turntrans51.438.4-170.4-160.933.4000113L103 A104L103-D107 PolarHBondContact O-N 2.93Å; L103-D107 VanDerWaalsContact O-N 3.11Å; A104-D107 PolarHBondContact O-N 2.96Å
108M94Very high93.4Very high80 Ų8074.9 Ų74.939%0.39441%0.413SS..  trans-112.2145.8-178.8-69-178.973.800111.2L103 A106 D112 V113L103-M108 HydrophobicContact CD2-CB 4.06Å; L103-M108 PolarHBondContact O-N 3.41Å; A106-M108 HydrophobicContact CB-CB 4.33Å; A106-M108 HydrophobicContact CB-CG 3.94Å; A106-M108 HydrophobicContact CB-SD 4.05Å; A106-M108 PolarHBondContact O-N 3.02Å; M108-D112 HydrophobicContact CB-CB 4.47Å; M108-D112 HydrophobicContact CE-CB 3.87Å; M108-D112 VanDerWaalsContact CE-O 3.23Å; M108-D112 WeakPolarHBondContact CE-O 3.35Å; M108-V113 HydrophobicContact CE-CG2 4.4Å
109R94.5Very high93.3Very high159 Ų15974 Ų7460%0.641%0.406SS*.  trans-93.4167.7169.3-51.4168.8-63.9175.28.4110.1E111 D112R109-E111 WeakPolarHBondContact CB-OE2 3.43Å; R109-E111 PolarHBondContact O-N 3.39Å; R109-D112 WeakPolarHBondContact CA-OD2 3.41Å; R109-D112 VanDerWaalsContact CB-OD2 3.24Å; R109-D112 WeakPolarHBondContact CB-OD2 3.33Å; R109-D112 IonicContact CZ-OD1 2.82Å; R109-D112 IonicContact CZ-OD2 3.65Å; R109-D112 PolarHBondContact N-OD2 3.01Å; R109-D112 IonicContact NE-OD1 2.86Å; R109-D112 IonicContact NE-OD2 2.66Å; R109-D112 PolarHBondContact NE-OD2 3.28Å; R109-D112 VanDerWaalsContact NE-OD2 3.1Å; R109-D112 IonicContact NH2-OD1 3.12Å; R109-D112 PolarHBondContact NH2-OD1 2.98Å; R109-D112 IonicContact NH2-OD2 3.51Å; R109-D112 PolarHBondContact O-N 3.4Å; R109-D112 VanDerWaalsContact O-N 3.1Å
110V94.8Very high93Very high28 Ų2873.5 Ų73.517%0.1741%0.411CS..G310 helixtrans-63.5-26.5179.8-630000112.5L103 D112 Y135 F136L103-V110 HydrophobicContact CD1-CG1 3.79Å; V110-D112 VanDerWaalsContact C-N 3.33Å; V110-Y135 HydrophobicContact CG1-CD1 4.22Å; V110-Y135 HydrophobicContact CG1-CE1 3.59Å; V110-F136 HydrophobicContact CB-CD1 4.04Å; V110-F136 HydrophobicContact CB-CE1 4.45Å; V110-F136 HydrophobicContact CG1-CD1 4.35Å; V110-F136 HydrophobicContact CG1-CE1 4.44Å
111E94.5Very high92.7Very high113 Ų11371.7 Ų71.753%0.52841%0.413SS..G310 helixtrans-73.9-24.9177-59.474.3-154.500112.9R109 V113 N137R109-E111 WeakPolarHBondContact CB-OE2 3.43Å; R109-E111 PolarHBondContact O-N 3.39Å; E111-V113 PolarHBondContact O-N 3.36Å; E111-N137 PolarHBondContact OE1-ND2 2.65Å
112D94.6Very high92.5Very high58 Ų5870.2 Ų70.231%0.3141%0.405SS..G310 helixtrans-81.8-5.8-176.4-50.9-44.1000111.6M108 R109 V110M108-D112 HydrophobicContact CB-CB 4.47Å; M108-D112 HydrophobicContact CE-CB 3.87Å; M108-D112 VanDerWaalsContact CE-O 3.23Å; M108-D112 WeakPolarHBondContact CE-O 3.35Å; R109-D112 WeakPolarHBondContact CA-OD2 3.41Å; R109-D112 VanDerWaalsContact CB-OD2 3.24Å; R109-D112 WeakPolarHBondContact CB-OD2 3.33Å; R109-D112 IonicContact CZ-OD1 2.82Å; R109-D112 IonicContact CZ-OD2 3.65Å; R109-D112 PolarHBondContact N-OD2 3.01Å; R109-D112 IonicContact NE-OD1 2.86Å; R109-D112 IonicContact NE-OD2 2.66Å; R109-D112 PolarHBondContact NE-OD2 3.28Å; R109-D112 VanDerWaalsContact NE-OD2 3.1Å; R109-D112 IonicContact NH2-OD1 3.12Å; R109-D112 PolarHBondContact NH2-OD1 2.98Å; R109-D112 IonicContact NH2-OD2 3.51Å; R109-D112 PolarHBondContact O-N 3.4Å; R109-D112 VanDerWaalsContact O-N 3.1Å; V110-D112 VanDerWaalsContact C-N 3.33Å
113V93.9Very high92.3Very high26 Ų2668.3 Ų68.316%0.15839%0.388CS..  trans-87113.6177.4176.40000110.3L103 M108 E111 E115 I116 F136 K139L103-V113 HydrophobicContact CD2-CG2 3.63Å; M108-V113 HydrophobicContact CE-CG2 4.4Å; E111-V113 PolarHBondContact O-N 3.36Å; V113-E115 WeakPolarHBondContact CG1-O 3.49Å; V113-I116 HydrophobicContact CG1-CG1 4.14Å; V113-F136 HydrophobicContact CB-CD1 4.36Å; V113-F136 HydrophobicContact CB-CE1 4.08Å; V113-F136 HydrophobicContact CG1-CE1 4.21Å; V113-F136 HydrophobicContact CG2-CE1 3.86Å; V113-K139 PolarHBondContact O-NZ 3.44Å
114D92.6Very high92.2Very high144 Ų14471.4 Ų71.477%0.7740%0.398SS*.  trans-74.1-36.5-178.7-66.8-57.6000114.5K139D114-K139 WeakPolarHBondContact O-CE 3.28Å; D114-K139 PolarHBondContact O-NZ 2.87Å
115E92Very high92.1Very high109 Ų10968.3 Ų68.351%0.50937%0.371SS..  trans-146.8144-173.5-157.2-176.4138.100111.4V113 N142V113-E115 WeakPolarHBondContact CG1-O 3.49Å; E115-N142 HydrophobicContact CG-CB 4.13Å; E115-N142 VanDerWaalsContact OE1-CB 3.25Å; E115-N142 WeakPolarHBondContact OE1-CB 3.44Å; E115-N142 PolarHBondContact OE1-ND2 3.46Å
116I92.5Very high92Very high15 Ų1563.9 Ų63.98%0.07735%0.35CS..  trans-120.5104.4178.9-53.6154.3000108V113 M118 V132 F136 K139 L141 N142V113-I116 HydrophobicContact CG1-CG1 4.14Å; I116-M118 HydrophobicContact CG2-SD 4.08Å; I116-V132 HydrophobicContact CG2-CG1 4.08Å; I116-F136 HydrophobicContact CD1-CB 3.45Å; I116-F136 VanDerWaalsContact CD1-CB 3.45Å; I116-F136 HydrophobicContact CD1-CD1 4.12Å; I116-F136 HydrophobicContact CD1-CD2 3.41Å; I116-F136 VanDerWaalsContact CD1-CD2 3.41Å; I116-F136 HydrophobicContact CD1-CE2 4.12Å; I116-F136 HydrophobicContact CD1-CG 3.4Å; I116-F136 VanDerWaalsContact CD1-CG 3.4Å; I116-F136 HydrophobicContact CG1-CD2 4.05Å; I116-F136 HydrophobicContact CG1-CE2 4.28Å; I116-F136 HydrophobicContact CG1-CG 4.19Å; I116-K139 HydrophobicContact CD1-CB 4.06Å; I116-K139 HydrophobicContact CD1-CD 4.16Å; I116-K139 HydrophobicContact CD1-CG 4.15Å; I116-L141 HydrophobicContact CB-CD2 3.79Å; I116-L141 HydrophobicContact CD1-CD2 3.73Å; I116-L141 HydrophobicContact CG1-CD2 4.4Å; I116-L141 HydrophobicContact CG2-CD2 3.64Å; I116-N142 PolarHBondContact O-N 3.37Å
117V91.4Very high92Very high63 Ų6363.6 Ų63.638%0.38234%0.338SS..BIsolated β-bridgetrans-94.5122.5177.4-177.20000109.4V119 N142 I145V117-V119 HydrophobicContact CG1-CG2 4.05Å; V117-N142 HydrophobicContact CG2-CB 4.35Å; V117-I145 HydrophobicContact CG1-CD1 4Å
118M90.7Very high91.9Very high16 Ų1657 Ų578%0.07930%0.302CS..  trans-91118-179.5-60.9-61.2-68.400110.8I116 T123 I128 V132 L141 N142I116-M118 HydrophobicContact CG2-SD 4.08Å; M118-T123 HydrophobicContact CB-CG2 4.36Å; M118-T123 HydrophobicContact CE-CG2 3.82Å; M118-I128 HydrophobicContact CE-CG2 4.05Å; M118-V132 HydrophobicContact CE-CB 4.48Å; M118-V132 HydrophobicContact CE-CG2 4.26Å; M118-V132 HydrophobicContact SD-CG1 4.1Å; M118-L141 HydrophobicContact CG-CB 4.11Å; M118-L141 HydrophobicContact CG-CD1 4Å; M118-L141 HydrophobicContact SD-CD1 4.01Å; M118-L141 HydrophobicContact SD-CD2 4.47Å; M118-N142 PolarHBondContact N-O 3Å
119V88.9Confident91.9Very high62 Ų6256.8 Ų56.838%0.37630%0.297SS..  trans-120.7140.8-178.3-174.70000111.5V117 T123 A150 V151V117-V119 HydrophobicContact CG1-CG2 4.05Å; V119-T123 WeakPolarHBondContact O-CG2 3.41Å; V119-A150 HydrophobicContact CG1-CB 4.09Å; V119-A150 HydrophobicContact CG2-CB 4.17Å; V119-V151 HydrophobicContact CG1-CG2 3.55Å
120G85.2Confident91.9Very high30 Ų3053.2 Ų53.231%0.30929%0.287SS..SBendtrans96.4142.3179.600000113.7S122 T123 P147G120-S122 VanDerWaalsContact C-N 3.27Å; G120-S122 PolarHBondContact O-N 2.86Å; G120-S122 VanDerWaalsContact O-N 3.11Å; G120-T123 WeakPolarHBondContact O-CB 3.4Å; G120-T123 WeakPolarHBondContact O-CG2 3.45Å; G120-T123 PolarHBondContact O-N 3.26Å; G120-T123 PolarHBondContact O-OG1 3.06Å; G120-P147 WeakPolarHBondContact CA-O 3.15Å; G120-P147 PolarHBondContact N-O 2.66Å
121G87.1Confident91.9Very high37 Ų3753.1 Ų53.138%0.38129%0.287SS..G310 helixtrans-59.2-29.7-170.200000115.6T123 R124G121-T123 PolarHBondContact O-N 3.4Å; G121-R124 WeakPolarHBondContact O-CB 3.37Å; G121-R124 WeakPolarHBondContact O-CG 3.14Å; G121-R124 PolarHBondContact O-N 2.94Å; G121-R124 VanDerWaalsContact O-N 3.14Å
122S88.5Confident91.9Very high35 Ų3548.1 Ų48.125%0.24526%0.264CS..G310 helixtrans-66.9-22.5176.7-62.10000112.9G11 G120 R124 I125 I128G11-S122 WeakPolarHBondContact CA-OG 3.2Å; G11-S122 PolarHBondContact N-OG 2.9Å; G120-S122 VanDerWaalsContact C-N 3.27Å; G120-S122 PolarHBondContact O-N 2.86Å; G120-S122 VanDerWaalsContact O-N 3.11Å; S122-R124 PolarHBondContact O-N 3.13Å; S122-R124 VanDerWaalsContact O-N 3.16Å; S122-I125 WeakPolarHBondContact O-CB 3.09Å; S122-I125 VanDerWaalsContact O-CG1 3.29Å; S122-I125 WeakPolarHBondContact O-CG1 3.49Å; S122-I125 PolarHBondContact O-N 3.39Å; S122-I125 VanDerWaalsContact O-N 3.11Å; S122-I128 WeakPolarHBondContact O-CD1 3.35Å
123T89.8Confident91.8Very high19 Ų1946.5 Ų46.512%0.11726%0.257CS..G310 helixtrans-67.4-11.2174.868.10000113.6M118 V119 G120 G121 I125 R129M118-T123 HydrophobicContact CB-CG2 4.36Å; M118-T123 HydrophobicContact CE-CG2 3.82Å; V119-T123 WeakPolarHBondContact O-CG2 3.41Å; G120-T123 WeakPolarHBondContact O-CB 3.4Å; G120-T123 WeakPolarHBondContact O-CG2 3.45Å; G120-T123 PolarHBondContact O-N 3.26Å; G120-T123 PolarHBondContact O-OG1 3.06Å; G121-T123 PolarHBondContact O-N 3.4Å; T123-I125 PolarHBondContact O-N 3.31Å; T123-R129 VanDerWaalsContact O-CG 3.25Å; T123-R129 WeakPolarHBondContact O-CG 3.35Å; T123-R129 PolarHBondContact O-NE 3.48Å
124R90.4Very high91.9Very high84 Ų8449.8 Ų49.832%0.31727%0.271SS..G310 helixtrans-66.3-25.6171.9-62.1-179.1-178.1-82.10.9111.6T55 G121 S122 P126 D146 P147 E148T55-R124 HydrophobicContact CG2-CB 3.84Å; T55-R124 VanDerWaalsContact CG2-O 3.3Å; T55-R124 WeakPolarHBondContact CG2-O 3.3Å; G121-R124 WeakPolarHBondContact O-CB 3.37Å; G121-R124 WeakPolarHBondContact O-CG 3.14Å; G121-R124 PolarHBondContact O-N 2.94Å; G121-R124 VanDerWaalsContact O-N 3.14Å; S122-R124 PolarHBondContact O-N 3.13Å; S122-R124 VanDerWaalsContact O-N 3.16Å; R124-P126 WeakPolarHBondContact O-CD 3.35Å; R124-D146 IonicContact NH2-OD1 3.71Å; R124-D146 PolarHBondContact NH2-OD1 3.09Å; R124-D146 VanDerWaalsContact NH2-OD1 3.16Å; R124-D146 IonicContact NH2-OD2 3.91Å; R124-P147 HydrophobicContact CG-CG 4.27Å; R124-E148 IonicContact CZ-OE1 3Å; R124-E148 IonicContact NE-OE1 3.16Å; R124-E148 PolarHBondContact NE-OE1 3.01Å; R124-E148 IonicContact NH2-OE1 3.88Å; R124-E148 PolarHBondContact NH2-OE1 3.13Å; R124-E148 VanDerWaalsContact NH2-OE1 3.12Å
125I92.9Very high92Very high9 Ų945.9 Ų45.95%0.04625%0.246CC..SBendtrans-57.1119.2179.4-63.3171.2000109.7F14 K51 F84 F92 S122 T123 K127 I128 R129F14-I125 HydrophobicContact CD1-CD1 4.49Å; F14-I125 HydrophobicContact CD2-CD1 4.41Å; F14-I125 HydrophobicContact CG-CD1 4.39Å; K51-I125 HydrophobicContact CD-CD1 4.46Å; F84-I125 HydrophobicContact CE1-CD1 4.43Å; F84-I125 HydrophobicContact CE1-CG2 4.37Å; F84-I125 HydrophobicContact CZ-CD1 4.41Å; F92-I125 HydrophobicContact CE1-CG2 4.12Å; F92-I125 HydrophobicContact CZ-CG2 4.32Å; S122-I125 WeakPolarHBondContact O-CB 3.09Å; S122-I125 VanDerWaalsContact O-CG1 3.29Å; S122-I125 WeakPolarHBondContact O-CG1 3.49Å; S122-I125 PolarHBondContact O-N 3.39Å; S122-I125 VanDerWaalsContact O-N 3.11Å; T123-I125 PolarHBondContact O-N 3.31Å; I125-K127 HydrophobicContact CG2-CB 4.2Å; I125-K127 PolarHBondContact O-N 2.97Å; I125-K127 VanDerWaalsContact O-N 3.12Å; I125-I128 HydrophobicContact CB-CB 4.44Å; I125-I128 HydrophobicContact CB-CD1 4.11Å; I125-I128 HydrophobicContact CB-CG1 4.22Å; I125-I128 HydrophobicContact CD1-CD1 4.06Å; I125-I128 HydrophobicContact CG2-CG1 4.32Å; I125-I128 PolarHBondContact O-N 3.16Å; I125-R129 PolarHBondContact O-N 3.19Å
126P94Very high92.2Very high42 Ų4241.5 Ų41.527%0.27323%0.225SC..Hα-helixtrans-56.1-36.1-175.6-28.835.6000113.3T55 R124 I128 R129 Q130T55-P126 WeakPolarHBondContact O-CG 3.26Å; R124-P126 WeakPolarHBondContact O-CD 3.35Å; P126-I128 PolarHBondContact O-N 3.21Å; P126-R129 PolarHBondContact O-N 2.81Å; P126-Q130 PolarHBondContact O-N 3.48Å
127K94.9Very high92.3Very high50 Ų5045.7 Ų45.722%0.21725%0.247CC..Hα-helixtrans-65.5-36.1179.5-167.353.5166.7-165.60113.7E85 F92 I125 Q130 V131E85-K127 HydrophobicContact CB-CG 4.48Å; E85-K127 HydrophobicContact CG-CB 3.82Å; E85-K127 HydrophobicContact CG-CD 4.43Å; E85-K127 HydrophobicContact CG-CG 3.92Å; E85-K127 WeakPolarHBondContact OE2-CD 3.45Å; E85-K127 IonicContact OE2-NZ 3.7Å; F92-K127 HydrophobicContact CD1-CG 4.35Å; F92-K127 HydrophobicContact CD2-CG 3.71Å; F92-K127 HydrophobicContact CE1-CB 4.12Å; F92-K127 HydrophobicContact CE1-CG 4.3Å; F92-K127 HydrophobicContact CE2-CB 4.1Å; F92-K127 HydrophobicContact CE2-CG 3.66Å; F92-K127 HydrophobicContact CG-CG 4.08Å; F92-K127 HydrophobicContact CZ-CB 3.89Å; F92-K127 HydrophobicContact CZ-CG 3.97Å; I125-K127 HydrophobicContact CG2-CB 4.2Å; I125-K127 PolarHBondContact O-N 2.97Å; I125-K127 VanDerWaalsContact O-N 3.12Å; K127-Q130 PolarHBondContact O-N 2.88Å; K127-V131 HydrophobicContact CD-CG2 4.4Å; K127-V131 WeakPolarHBondContact O-CB 3.2Å; K127-V131 VanDerWaalsContact O-CG2 3.29Å; K127-V131 WeakPolarHBondContact O-CG2 3.24Å; K127-V131 PolarHBondContact O-N 3.1Å
128I92.9Very high92.5Very high18 Ų1848.2 Ų48.29%0.09226%0.259CS..Hα-helixtrans-64.7-48175.8-71.5177.5000109.4F14 F92 M118 S122 I125 P126 Q130 V131 V132F14-I128 HydrophobicContact CE2-CD1 4.13Å; F14-I128 HydrophobicContact CZ-CD1 3.77Å; F92-I128 HydrophobicContact CD1-CD1 4.31Å; F92-I128 HydrophobicContact CD1-CG1 3.53Å; F92-I128 HydrophobicContact CE1-CD1 4.16Å; F92-I128 HydrophobicContact CE1-CG1 3.59Å; M118-I128 HydrophobicContact CE-CG2 4.05Å; S122-I128 WeakPolarHBondContact O-CD1 3.35Å; I125-I128 HydrophobicContact CB-CB 4.44Å; I125-I128 HydrophobicContact CB-CD1 4.11Å; I125-I128 HydrophobicContact CB-CG1 4.22Å; I125-I128 HydrophobicContact CD1-CD1 4.06Å; I125-I128 HydrophobicContact CG2-CG1 4.32Å; I125-I128 PolarHBondContact O-N 3.16Å; P126-I128 PolarHBondContact O-N 3.21Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.48Å; I128-V131 PolarHBondContact O-N 2.88Å; I128-V132 HydrophobicContact CG2-CG2 4.37Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 3.16Å
129R93.5Very high92.7Very high76 Ų7650.8 Ų50.829%0.28727%0.27SS..Hα-helixtrans-57.4-45176.6-66.3-177.7177.2-164.9-9.6111.6T123 I125 P126 V132 S133 L141T123-R129 VanDerWaalsContact O-CG 3.25Å; T123-R129 WeakPolarHBondContact O-CG 3.35Å; T123-R129 PolarHBondContact O-NE 3.48Å; I125-R129 PolarHBondContact O-N 3.19Å; P126-R129 PolarHBondContact O-N 2.81Å; R129-V132 PolarHBondContact O-N 2.72Å; R129-S133 VanDerWaalsContact O-CB 3.26Å; R129-S133 WeakPolarHBondContact O-CB 3.33Å; R129-S133 PolarHBondContact O-N 3.14Å; R129-L141 HydrophobicContact CB-CD1 3.76Å; R129-L141 HydrophobicContact CG-CD1 4.11Å; R129-L141 WeakPolarHBondContact O-CD1 3.25Å
130Q94.6Very high92.9Very high84 Ų8453.8 Ų53.839%0.39329%0.288SS..Hα-helixtrans-59.4-50.3176.9-174.8-173.29.400111.6P126 K127 I128 V132 S133 Q134P126-Q130 PolarHBondContact O-N 3.48Å; K127-Q130 PolarHBondContact O-N 2.88Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.48Å; Q130-V132 PolarHBondContact O-N 3.1Å; Q130-S133 PolarHBondContact O-N 3.24Å; Q130-Q134 HydrophobicContact CG-CG 4.41Å; Q130-Q134 VanDerWaalsContact NE2-NE2 3.19Å; Q130-Q134 WeakPolarHBondContact O-CB 3.41Å; Q130-Q134 WeakPolarHBondContact O-CG 3.11Å; Q130-Q134 PolarHBondContact O-N 3.3Å
131V94.6Very high93.2Very high25 Ų2553.4 Ų53.415%0.15228%0.279CS..Hα-helixtrans-64.1-41-176.9168.50000111.5F92 L96 K127 I128 Y135F92-V131 HydrophobicContact CB-CG2 4.4Å; L96-V131 HydrophobicContact CD1-CG1 3.8Å; L96-V131 HydrophobicContact CD2-CG1 3.86Å; L96-V131 HydrophobicContact CG-CG1 3.83Å; K127-V131 HydrophobicContact CD-CG2 4.4Å; K127-V131 WeakPolarHBondContact O-CB 3.2Å; K127-V131 VanDerWaalsContact O-CG2 3.29Å; K127-V131 WeakPolarHBondContact O-CG2 3.24Å; K127-V131 PolarHBondContact O-N 3.1Å; I128-V131 PolarHBondContact O-N 2.88Å; V131-Y135 PolarHBondContact O-N 3.27Å; V131-Y135 VanDerWaalsContact O-N 3.07Å
132V94.2Very high93.2Very high9 Ų953.3 Ų53.36%0.05527%0.27CS..Hα-helixtrans-67.8-47.7176.9174.10000111I99 I116 M118 I128 R129 Q130 Q134 Y135 F136 L141I99-V132 HydrophobicContact CD1-CG1 4.42Å; I99-V132 HydrophobicContact CD1-CG2 4.17Å; I116-V132 HydrophobicContact CG2-CG1 4.08Å; M118-V132 HydrophobicContact CE-CB 4.48Å; M118-V132 HydrophobicContact CE-CG2 4.26Å; M118-V132 HydrophobicContact SD-CG1 4.1Å; I128-V132 HydrophobicContact CG2-CG2 4.37Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 3.16Å; R129-V132 PolarHBondContact O-N 2.72Å; Q130-V132 PolarHBondContact O-N 3.1Å; V132-Q134 VanDerWaalsContact C-N 3.3Å; V132-Q134 PolarHBondContact O-N 3Å; V132-Y135 WeakPolarHBondContact O-CB 3.34Å; V132-Y135 PolarHBondContact O-N 3.11Å; V132-Y135 VanDerWaalsContact O-N 3.12Å; V132-F136 HydrophobicContact CG1-CD2 4.01Å; V132-F136 HydrophobicContact CG1-CE2 4.07Å; V132-F136 WeakPolarHBondContact O-CD2 2.92Å; V132-F136 PolarHBondContact O-N 3.35Å; V132-F136 VanDerWaalsContact O-N 3.16Å; V132-L141 HydrophobicContact CG1-CD2 4.03Å
133S94.4Very high92.9Very high24 Ų2454 Ų5417%0.16827%0.274CS..Hα-helixtrans-58.4-43.7177.2178.80000111.5R129 Q130 Y135 F136 N138 K139R129-S133 VanDerWaalsContact O-CB 3.26Å; R129-S133 WeakPolarHBondContact O-CB 3.33Å; R129-S133 PolarHBondContact O-N 3.14Å; Q130-S133 PolarHBondContact O-N 3.24Å; S133-Y135 VanDerWaalsContact C-N 3.32Å; S133-Y135 PolarHBondContact O-N 3.17Å; S133-F136 CarbonylContact O-C 3.58Å; S133-F136 PolarHBondContact O-N 3.24Å; S133-N138 WeakPolarHBondContact O-CA 3.23Å; S133-N138 PolarHBondContact O-N 3.27Å; S133-K139 WeakPolarHBondContact CB-O 3.46Å; S133-K139 PolarHBondContact O-N 2.9Å; S133-K139 PolarHBondContact OG-O 3.42Å
134Q95.2Very high92.5Very high95 Ų9560.4 Ų60.444%0.44431%0.308SS..Hα-helixtrans-61.3-38.3176.3-76.5176.3-16.200112.9Q130 V132 F136 N137Q130-Q134 HydrophobicContact CG-CG 4.41Å; Q130-Q134 VanDerWaalsContact NE2-NE2 3.19Å; Q130-Q134 WeakPolarHBondContact O-CB 3.41Å; Q130-Q134 WeakPolarHBondContact O-CG 3.11Å; Q130-Q134 PolarHBondContact O-N 3.3Å; V132-Q134 VanDerWaalsContact C-N 3.3Å; V132-Q134 PolarHBondContact O-N 3Å; Q134-F136 VanDerWaalsContact C-N 3.3Å; Q134-F136 PolarHBondContact O-N 2.64Å; Q134-N137 PolarHBondContact O-N 2.96Å
135Y95.1Very high92Very high62 Ų6260 Ų6024%0.24331%0.311CS..Hα-helixtrans-63.4-37.5176.9-178.7-92.7000112L96 I99 E100 L103 V110 V131 V132 S133 N137L96-Y135 HydrophobicContact CD1-CD2 3.98Å; L96-Y135 HydrophobicContact CD2-CD2 4.05Å; L96-Y135 HydrophobicContact CD2-CG 3.87Å; L96-Y135 HydrophobicContact CG-CD2 4.43Å; I99-Y135 HydrophobicContact CG2-CD1 4.14Å; I99-Y135 HydrophobicContact CG2-CE1 3.73Å; E100-Y135 HydrophobicContact CG-CE2 4.07Å; E100-Y135 WeakPolarHBondContact CG-OH 3.38Å; L103-Y135 HydrophobicContact CD1-CE1 3.93Å; V110-Y135 HydrophobicContact CG1-CD1 4.22Å; V110-Y135 HydrophobicContact CG1-CE1 3.59Å; V131-Y135 PolarHBondContact O-N 3.27Å; V131-Y135 VanDerWaalsContact O-N 3.07Å; V132-Y135 WeakPolarHBondContact O-CB 3.34Å; V132-Y135 PolarHBondContact O-N 3.11Å; V132-Y135 VanDerWaalsContact O-N 3.12Å; S133-Y135 VanDerWaalsContact C-N 3.32Å; S133-Y135 PolarHBondContact O-N 3.17Å; Y135-N137 VanDerWaalsContact C-N 3.29Å; Y135-N137 PolarHBondContact O-N 3.11Å
136F95.8Very high91.5Very high16 Ų1662.7 Ų62.77%0.0733%0.326CS..THydrogen-bonded Turntrans-91.844.1174.7-68.4-79.9000112.4I99 L103 V110 V113 I116 V132 S133 Q134 N138 K139I99-F136 HydrophobicContact CD1-CE2 4.4Å; I99-F136 HydrophobicContact CG2-CE2 3.83Å; I99-F136 HydrophobicContact CG2-CZ 3.48Å; I99-F136 VanDerWaalsContact CG2-CZ 3.48Å; L103-F136 HydrophobicContact CD1-CE1 4.18Å; L103-F136 HydrophobicContact CD1-CZ 4.46Å; V110-F136 HydrophobicContact CB-CD1 4.04Å; V110-F136 HydrophobicContact CB-CE1 4.45Å; V110-F136 HydrophobicContact CG1-CD1 4.35Å; V110-F136 HydrophobicContact CG1-CE1 4.44Å; V113-F136 HydrophobicContact CB-CD1 4.36Å; V113-F136 HydrophobicContact CB-CE1 4.08Å; V113-F136 HydrophobicContact CG1-CE1 4.21Å; V113-F136 HydrophobicContact CG2-CE1 3.86Å; I116-F136 HydrophobicContact CD1-CB 3.45Å; I116-F136 VanDerWaalsContact CD1-CB 3.45Å; I116-F136 HydrophobicContact CD1-CD1 4.12Å; I116-F136 HydrophobicContact CD1-CD2 3.41Å; I116-F136 VanDerWaalsContact CD1-CD2 3.41Å; I116-F136 HydrophobicContact CD1-CE2 4.12Å; I116-F136 HydrophobicContact CD1-CG 3.4Å; I116-F136 VanDerWaalsContact CD1-CG 3.4Å; I116-F136 HydrophobicContact CG1-CD2 4.05Å; I116-F136 HydrophobicContact CG1-CE2 4.28Å; I116-F136 HydrophobicContact CG1-CG 4.19Å; V132-F136 HydrophobicContact CG1-CD2 4.01Å; V132-F136 HydrophobicContact CG1-CE2 4.07Å; V132-F136 WeakPolarHBondContact O-CD2 2.92Å; V132-F136 PolarHBondContact O-N 3.35Å; V132-F136 VanDerWaalsContact O-N 3.16Å; S133-F136 CarbonylContact O-C 3.58Å; S133-F136 PolarHBondContact O-N 3.24Å; Q134-F136 VanDerWaalsContact C-N 3.3Å; Q134-F136 PolarHBondContact O-N 2.64Å; F136-N138 VanDerWaalsContact C-N 3.31Å; F136-N138 PolarHBondContact O-N 2.81Å; F136-K139 HydrophobicContact CB-CB 4.07Å; F136-K139 WeakPolarHBondContact O-CB 3.5Å; F136-K139 PolarHBondContact O-N 3.18Å
137N94.5Very high90.8Very high103 Ų10361.1 Ų61.155%0.55132%0.315SS*.THydrogen-bonded Turntrans55.639.1174.7-62.4-38.3000114.7E111 Q134 Y135 K139E111-N137 PolarHBondContact OE1-ND2 2.65Å; Q134-N137 PolarHBondContact O-N 2.96Å; Y135-N137 VanDerWaalsContact C-N 3.29Å; Y135-N137 PolarHBondContact O-N 3.11Å; N137-K139 PolarHBondContact O-N 2.69Å
138N94.8Very high90Very high117 Ų11764.3 Ų64.363%0.62633%0.331SS*.THydrogen-bonded Turntrans61.227.8-175.6-52.9-66.4000114.3S133 F136S133-N138 WeakPolarHBondContact O-CA 3.23Å; S133-N138 PolarHBondContact O-N 3.27Å; F136-N138 VanDerWaalsContact C-N 3.31Å; F136-N138 PolarHBondContact O-N 2.81Å
139K94.6Very high89.4Confident69 Ų6968 Ų6830%0.335%0.35SS..PPolyproline II helixtrans-62.1142.3174.8-171.5162.2-170158.80111.5V113 D114 I116 S133 F136 N137 L141V113-K139 PolarHBondContact O-NZ 3.44Å; D114-K139 WeakPolarHBondContact O-CE 3.28Å; D114-K139 PolarHBondContact O-NZ 2.87Å; I116-K139 HydrophobicContact CD1-CB 4.06Å; I116-K139 HydrophobicContact CD1-CD 4.16Å; I116-K139 HydrophobicContact CD1-CG 4.15Å; S133-K139 WeakPolarHBondContact CB-O 3.46Å; S133-K139 PolarHBondContact O-N 2.9Å; S133-K139 PolarHBondContact OG-O 3.42Å; F136-K139 HydrophobicContact CB-CB 4.07Å; F136-K139 WeakPolarHBondContact O-CB 3.5Å; F136-K139 PolarHBondContact O-N 3.18Å; N137-K139 PolarHBondContact O-N 2.69Å; K139-L141 PolarHBondContact O-N 2.84Å
140T93.3Very high88.9Confident125 Ų12565.4 Ų65.477%0.76735%0.345SS*.PPolyproline II helixtrans-65.6129.7175.1-51.90000109.8
141L92.8Very high88.4Confident22 Ų2265.9 Ų65.912%0.11535%0.354CS..PPolyproline II helixtrans-86.3132.3176.5-52.9-179.1000109.5I116 M118 R129 V132 K139 C143I116-L141 HydrophobicContact CB-CD2 3.79Å; I116-L141 HydrophobicContact CD1-CD2 3.73Å; I116-L141 HydrophobicContact CG1-CD2 4.4Å; I116-L141 HydrophobicContact CG2-CD2 3.64Å; M118-L141 HydrophobicContact CG-CB 4.11Å; M118-L141 HydrophobicContact CG-CD1 4Å; M118-L141 HydrophobicContact SD-CD1 4.01Å; M118-L141 HydrophobicContact SD-CD2 4.47Å; R129-L141 HydrophobicContact CB-CD1 3.76Å; R129-L141 HydrophobicContact CG-CD1 4.11Å; R129-L141 WeakPolarHBondContact O-CD1 3.25Å; V132-L141 HydrophobicContact CG1-CD2 4.03Å; K139-L141 PolarHBondContact O-N 2.84Å; L141-C143 PolarHBondContact O-N 3.12Å
142N87.6Confident87.9Confident36 Ų3667.7 Ų67.719%0.19337%0.372CS..BIsolated β-bridgetrans-72.7116.8170.4-172.3-20000109.2E115 I116 V117 M118 D144E115-N142 HydrophobicContact CG-CB 4.13Å; E115-N142 VanDerWaalsContact OE1-CB 3.25Å; E115-N142 WeakPolarHBondContact OE1-CB 3.44Å; E115-N142 PolarHBondContact OE1-ND2 3.46Å; I116-N142 PolarHBondContact O-N 3.37Å; V117-N142 HydrophobicContact CG2-CB 4.35Å; M118-N142 PolarHBondContact N-O 3Å; N142-D144 WeakPolarHBondContact OD1-CB 3.25Å; N142-D144 PolarHBondContact OD1-N 2.9Å
143C82.1Confident87.2Confident50 Ų5071.9 Ų71.934%0.33839%0.393SS..  trans-120.613.3176.9-62.50000112.4L141 I145L141-C143 PolarHBondContact O-N 3.12Å; C143-I145 VanDerWaalsContact C-N 3.27Å
144D80.7Confident86.7Confident153 Ų15372.6 Ų72.682%0.81840%0.404SS*.  trans-73.9-23.7-178-64.7-21.9000111.8N142N142-D144 WeakPolarHBondContact OD1-CB 3.25Å; N142-D144 PolarHBondContact OD1-N 2.9Å
145I79.4Confident86.1Confident75 Ų7572.6 Ų72.639%0.38541%0.41SS..SBendtrans-86.3132.3173.6-54.7174.1000108.5V117 C143 P147 A150V117-I145 HydrophobicContact CG1-CD1 4Å; C143-I145 VanDerWaalsContact C-N 3.27Å; I145-P147 VanDerWaalsContact O-CD 3.28Å; I145-P147 WeakPolarHBondContact O-CD 3.33Å; I145-P147 VanDerWaalsContact O-N 3.13Å; I145-A150 HydrophobicContact CG2-CB 3.62Å
146D82.4Confident85.6Confident66 Ų6671.7 Ų71.735%0.35342%0.419SS..  trans-62117.2171.5-169.2-37.8000109.5R124 E148 L149 A150R124-D146 IonicContact NH2-OD1 3.71Å; R124-D146 PolarHBondContact NH2-OD1 3.09Å; R124-D146 VanDerWaalsContact NH2-OD1 3.16Å; R124-D146 IonicContact NH2-OD2 3.91Å; D146-E148 PolarHBondContact O-N 2.64Å; D146-E148 PolarHBondContact OD1-N 2.82Å; D146-L149 HydrophobicContact CB-CB 4.15Å; D146-L149 HydrophobicContact CB-CD1 4.16Å; D146-L149 HydrophobicContact CB-CG 4.2Å; D146-L149 PolarHBondContact O-N 3.07Å; D146-L149 VanDerWaalsContact O-N 3.13Å; D146-A150 PolarHBondContact O-N 3.16Å
147P79.7Confident84.9Confident8 Ų876.2 Ų76.25%0.05244%0.443CS..THydrogen-bonded Turntrans-62.3-19.1-175.925.8-36.1000113.5G120 R124 I145G120-P147 WeakPolarHBondContact CA-O 3.15Å; G120-P147 PolarHBondContact N-O 2.66Å; R124-P147 HydrophobicContact CG-CG 4.27Å; I145-P147 VanDerWaalsContact O-CD 3.28Å; I145-P147 WeakPolarHBondContact O-CD 3.33Å; I145-P147 VanDerWaalsContact O-N 3.13Å
148E78.2Confident84.4Confident118 Ų11876.4 Ų76.455%0.55144%0.441SS*.THydrogen-bonded Turntrans-89.8-28.8179.2-70.8166-136.900112.4R124 D146R124-E148 IonicContact CZ-OE1 3Å; R124-E148 IonicContact NE-OE1 3.16Å; R124-E148 PolarHBondContact NE-OE1 3.01Å; R124-E148 IonicContact NH2-OE1 3.88Å; R124-E148 PolarHBondContact NH2-OE1 3.13Å; R124-E148 VanDerWaalsContact NH2-OE1 3.12Å; D146-E148 PolarHBondContact O-N 2.64Å; D146-E148 PolarHBondContact OD1-N 2.82Å
149L79.5Confident83.9Confident94 Ų9473.4 Ų73.449%0.49243%0.432SS..THydrogen-bonded Turntrans-93.3-23.2-178.6-59.7176.5000113.2D146 V151 A152 I153D146-L149 HydrophobicContact CB-CB 4.15Å; D146-L149 HydrophobicContact CB-CD1 4.16Å; D146-L149 HydrophobicContact CB-CG 4.2Å; D146-L149 PolarHBondContact O-N 3.07Å; D146-L149 VanDerWaalsContact O-N 3.13Å; L149-V151 VanDerWaalsContact C-N 3.26Å; L149-V151 PolarHBondContact O-N 3.03Å; L149-V151 VanDerWaalsContact O-N 3.16Å; L149-A152 PolarHBondContact O-N 3.16Å; L149-I153 HydrophobicContact CB-CD1 3.86Å; L149-I153 HydrophobicContact CB-CG1 4.37Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.06Å
150A83.1Confident83.2Confident23 Ų2370.5 Ų70.519%0.1942%0.422CS..Hα-helixtrans-49.1-46.5-176.400000112.9V119 I145 D146 G154V119-A150 HydrophobicContact CG1-CB 4.09Å; V119-A150 HydrophobicContact CG2-CB 4.17Å; I145-A150 HydrophobicContact CG2-CB 3.62Å; D146-A150 PolarHBondContact O-N 3.16Å; A150-G154 PolarHBondContact O-N 2.88Å
151V84.9Confident82.7Confident93 Ų9368.8 Ų68.856%0.56441%0.411SS*.Hα-helixtrans-66.7-46.5180-177.50000111.2V119 L149 I153 G154 V155V119-V151 HydrophobicContact CG1-CG2 3.55Å; L149-V151 VanDerWaalsContact C-N 3.26Å; L149-V151 PolarHBondContact O-N 3.03Å; L149-V151 VanDerWaalsContact O-N 3.16Å; V151-I153 PolarHBondContact O-N 2.99Å; V151-G154 PolarHBondContact O-N 3.33Å; V151-V155 WeakPolarHBondContact O-CG2 3.42Å; V151-V155 PolarHBondContact O-N 3.48Å
152A83.8Confident82.1Confident64 Ų6474.6 Ų74.653%0.52944%0.439SS..Hα-helixtrans-64.7-41.2-177.800000111.9L149 V155 G156L149-A152 PolarHBondContact O-N 3.16Å; A152-V155 PolarHBondContact O-N 3.3Å; A152-G156 PolarHBondContact O-N 2.98Å
153I79.4Confident81.8Confident97 Ų9776.1 Ų76.150%0.49746%0.457SS..Hα-helixtrans-62.3-48.2175.9-66.9167.4000110.1L149 V151 V155 G156 I157L149-I153 HydrophobicContact CB-CD1 3.86Å; L149-I153 HydrophobicContact CB-CG1 4.37Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.06Å; V151-I153 PolarHBondContact O-N 2.99Å; I153-V155 VanDerWaalsContact C-N 3.33Å; I153-V155 PolarHBondContact O-N 3.44Å; I153-G156 PolarHBondContact O-N 3.49Å; I153-G156 VanDerWaalsContact O-N 3.16Å; I153-I157 HydrophobicContact CG2-CD1 3.93Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.16Å
154G82.8Confident81.3Confident39 Ų3982 Ų8240%0.40248%0.479SS..Hα-helixtrans-59-43.1178.300000112.7A150 V151 I157 Q158A150-G154 PolarHBondContact O-N 2.88Å; V151-G154 PolarHBondContact O-N 3.33Å; G154-I157 PolarHBondContact O-N 2.96Å; G154-Q158 WeakPolarHBondContact O-CB 3.4Å; G154-Q158 PolarHBondContact O-N 3.43Å
155V83.8Confident80.3Confident95 Ų9576.8 Ų76.858%0.57646%0.458SS*.Hα-helixtrans-64.1-41.9175.4172.60000111.5V151 A152 I153 I157 Q158 A159V151-V155 WeakPolarHBondContact O-CG2 3.42Å; V151-V155 PolarHBondContact O-N 3.48Å; A152-V155 PolarHBondContact O-N 3.3Å; I153-V155 VanDerWaalsContact C-N 3.33Å; I153-V155 PolarHBondContact O-N 3.44Å; V155-I157 PolarHBondContact O-N 2.94Å; V155-Q158 PolarHBondContact O-N 3.38Å; V155-A159 WeakPolarHBondContact O-CB 3.34Å; V155-A159 PolarHBondContact O-N 2.95Å
156G83.8Confident79.2Confident42 Ų4282.9 Ų82.943%0.43348%0.476SS..Hα-helixtrans-61.4-43.1177.800000112.7A152 I153 A159 G160A152-G156 PolarHBondContact O-N 2.98Å; I153-G156 PolarHBondContact O-N 3.49Å; I153-G156 VanDerWaalsContact O-N 3.16Å; G156-A159 PolarHBondContact O-N 3.36Å; G156-G160 PolarHBondContact O-N 3.42Å
157I82.5Confident77.7Confident112 Ų11284.5 Ų84.557%0.57449%0.49SS*.Hα-helixtrans-63.1-48.4174.7-65.9168.1000110I153 G154 V155 A159 G160 V161I153-I157 HydrophobicContact CG2-CD1 3.93Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.16Å; G154-I157 PolarHBondContact O-N 2.96Å; V155-I157 PolarHBondContact O-N 2.94Å; I157-A159 VanDerWaalsContact C-N 3.32Å; I157-A159 PolarHBondContact O-N 3.39Å; I157-G160 PolarHBondContact O-N 3.39Å; I157-G160 VanDerWaalsContact O-N 3.15Å; I157-V161 WeakPolarHBondContact O-CG2 3.22Å; I157-V161 PolarHBondContact O-N 3.2Å
158Q82.5Confident76.2Confident107 Ų10788.1 Ų88.150%0.551%0.508SS..Hα-helixtrans-60.7-41.8-179.9-171.862.924.400112G154 V155 V161 M162G154-Q158 WeakPolarHBondContact O-CB 3.4Å; G154-Q158 PolarHBondContact O-N 3.43Å; V155-Q158 PolarHBondContact O-N 3.38Å; Q158-V161 PolarHBondContact O-N 3.49Å; Q158-M162 HydrophobicContact CG-SD 4.06Å; Q158-M162 WeakPolarHBondContact O-CB 3.48Å; Q158-M162 VanDerWaalsContact O-CG 3.27Å; Q158-M162 WeakPolarHBondContact O-CG 3.27Å; Q158-M162 PolarHBondContact O-N 2.84Å
159A84.5Confident74.6Confident54 Ų5491.5 Ų91.545%0.44652%0.524SS..Hα-helixtrans-63.5-40.717600000111.9V155 G156 I157 M162 A163V155-A159 WeakPolarHBondContact O-CB 3.34Å; V155-A159 PolarHBondContact O-N 2.95Å; G156-A159 PolarHBondContact O-N 3.36Å; I157-A159 VanDerWaalsContact C-N 3.32Å; I157-A159 PolarHBondContact O-N 3.39Å; A159-M162 PolarHBondContact O-N 3.03Å; A159-A163 WeakPolarHBondContact O-CB 3.44Å; A159-A163 PolarHBondContact O-N 3.12Å
160G81Confident73Confident8 Ų891.9 Ų91.98%0.08253%0.53CS..Hα-helixtrans-61.7-42.4175.200000113G156 I157 A165G156-G160 PolarHBondContact O-N 3.42Å; I157-G160 PolarHBondContact O-N 3.39Å; I157-G160 VanDerWaalsContact O-N 3.15Å; G160-A165 PolarHBondContact O-N 3Å
161V82.1Confident71.1Confident89 Ų8996 Ų9654%0.53956%0.557SS.*Hα-helixtrans-63.6-48.4175173.90000110.8I157 Q158 A163 Q164I157-V161 WeakPolarHBondContact O-CG2 3.22Å; I157-V161 PolarHBondContact O-N 3.2Å; Q158-V161 PolarHBondContact O-N 3.49Å; V161-A163 VanDerWaalsContact C-N 3.32Å; V161-A163 PolarHBondContact O-N 2.88Å; V161-Q164 PolarHBondContact O-N 3.15Å; V161-Q164 VanDerWaalsContact O-N 3.12Å
162M80.5Confident69Low143 Ų14394.9 Ų94.970%0.70456%0.557SS**Hα-helixtrans-65.8-34.6-179.1-70.4177.475.100112.9Q158 A159 Q164Q158-M162 HydrophobicContact CG-SD 4.06Å; Q158-M162 WeakPolarHBondContact O-CB 3.48Å; Q158-M162 VanDerWaalsContact O-CG 3.27Å; Q158-M162 WeakPolarHBondContact O-CG 3.27Å; Q158-M162 PolarHBondContact O-N 2.84Å; A159-M162 PolarHBondContact O-N 3.03Å; M162-Q164 PolarHBondContact O-N 3.23Å
163A81Confident67.2Low68 Ų6898 Ų9856%0.56257%0.571SS**THydrogen-bonded Turntrans-73.3-2.3177.200000113.2A159 V161 A165A159-A163 WeakPolarHBondContact O-CB 3.44Å; A159-A163 PolarHBondContact O-N 3.12Å; V161-A163 VanDerWaalsContact C-N 3.32Å; V161-A163 PolarHBondContact O-N 2.88Å; A163-A165 HydrophobicContact CB-CB 3.88Å; A163-A165 PolarHBondContact O-N 2.94Å
164Q70.7Confident65.2Low174 Ų174102.1 Ų102.181%0.81359%0.587SS**THydrogen-bonded Turntrans47.923.7-167.1-62-176-12.600112.3V161 M162 W166V161-Q164 PolarHBondContact O-N 3.15Å; V161-Q164 VanDerWaalsContact O-N 3.12Å; M162-Q164 PolarHBondContact O-N 3.23Å; Q164-W166 PolarHBondContact O-N 3.15Å
165A61.3Low63.3Low44 Ų44107.6 Ų107.636%0.36461%0.606SS.*  trans-80.816.1-174.500000110.9G160 A163 P167 I168G160-A165 PolarHBondContact O-N 3Å; A163-A165 HydrophobicContact CB-CB 3.88Å; A163-A165 PolarHBondContact O-N 2.94Å; A165-P167 CarbonylContact O-C 3.52Å; A165-I168 HydrophobicContact CB-CG1 4.38Å; A165-I168 WeakPolarHBondContact O-CA 3.13Å; A165-I168 WeakPolarHBondContact O-CG1 3.01Å; A165-I168 PolarHBondContact O-N 3.04Å
166W56.2Low61.2Low203 Ų203106.8 Ų106.877%0.76962%0.617SS**  trans-95.3130.4180-163.6-95.8000111.5Q164 I168Q164-W166 PolarHBondContact O-N 3.15Å; W166-I168 HydrophobicContact CE3-CD1 4.31Å; W166-I168 HydrophobicContact CE3-CG1 3.98Å; W166-I168 HydrophobicContact CZ3-CD1 4.4Å; W166-I168 HydrophobicContact CZ3-CG1 4.37Å
167P50.3Low59.2Low99 Ų99109.6 Ų109.664%0.64363%0.626SS**SBendcis-78131.20.632.3-30000109.9A165 Q169A165-P167 CarbonylContact O-C 3.52Å; P167-Q169 PolarHBondContact O-N 2.93Å
168I47.3Very low56.9Low85 Ų85114.5 Ų114.544%0.43664%0.643SS.*  trans-66.7104.1178-46.8170.1000105.6A165 W166 V170A165-I168 HydrophobicContact CB-CG1 4.38Å; A165-I168 WeakPolarHBondContact O-CA 3.13Å; A165-I168 WeakPolarHBondContact O-CG1 3.01Å; A165-I168 PolarHBondContact O-N 3.04Å; W166-I168 HydrophobicContact CE3-CD1 4.31Å; W166-I168 HydrophobicContact CE3-CG1 3.98Å; W166-I168 HydrophobicContact CZ3-CD1 4.4Å; W166-I168 HydrophobicContact CZ3-CG1 4.37Å; I168-V170 HydrophobicContact CB-CG2 3.95Å; I168-V170 HydrophobicContact CG2-CB 4.44Å; I168-V170 HydrophobicContact CG2-CG2 3.3Å; I168-V170 PolarHBondContact O-N 2.9Å
169Q45.3Very low55.2Low188 Ų188118.5 Ų118.588%0.87966%0.659SS**  trans-7070160.8-70-166.6-36.500107P167 S171P167-Q169 PolarHBondContact O-N 2.93Å; Q169-S171 PolarHBondContact O-N 3.38Å
170V46.1Very low52.7Low102 Ų102125.5 Ų125.562%0.61868%0.679SS**  trans-63.3112161.2-171.50000103.6I168 A172I168-V170 HydrophobicContact CB-CG2 3.95Å; I168-V170 HydrophobicContact CG2-CB 4.44Å; I168-V170 HydrophobicContact CG2-CG2 3.3Å; I168-V170 PolarHBondContact O-N 2.9Å; V170-A172 PolarHBondContact O-N 3.06Å
171S42.5Very low50.6Low110 Ų110134 Ų13477%0.76971%0.714SS**  trans-56.482154.5165.10000106.1Q169 T173Q169-S171 PolarHBondContact O-N 3.38Å; S171-T173 VanDerWaalsContact C-N 3.3Å; S171-T173 PolarHBondContact O-N 2.98Å
172A42.2Very low48.5Very low69 Ų69137.2 Ų137.257%0.5773%0.727SS**  trans-6797.4172.900000105.5V170 E174V170-A172 PolarHBondContact O-N 3.06Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 2.8Å
173T45.4Very low46.3Very low131 Ų131136.9 Ų136.980%0.80472%0.723SS**  trans-55.3107.8149.5-52.70000105S171 I175S171-T173 VanDerWaalsContact C-N 3.3Å; S171-T173 PolarHBondContact O-N 2.98Å; T173-I175 PolarHBondContact O-N 2.69Å; T173-I175 VanDerWaalsContact O-N 3.15Å
174E38Very low44.3Very low182 Ų182139.5 Ų139.585%0.8573%0.732SS**  trans-47.1114.1-161.3-64.4179.1150.800113.1A172A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 2.8Å
175I43.3Very low42.7Very low154 Ų154140 Ų14079%0.7973%0.727SS**  trans-9793.7152.1-60.3177.1000105.2T173 T177T173-I175 PolarHBondContact O-N 2.69Å; T173-I175 VanDerWaalsContact O-N 3.15Å; I175-T177 PolarHBondContact O-N 2.93Å
176G38.1Very low41.6Very low79 Ų79145 Ų14581%0.81475%0.748SS**  trans-61.6100.3-179.400000111.5
177T41.8Very low40.8Very low100 Ų100142.7 Ų142.761%0.61375%0.751SS**  trans-134.6114.9165.8-38.60000109.1I175 F179I175-T177 PolarHBondContact O-N 2.93Å; T177-F179 HydrophobicContact CG2-CD2 4.47Å; T177-F179 HydrophobicContact CG2-CE2 4.44Å; T177-F179 PolarHBondContact O-N 2.85Å
178K34.4Very low40.2Very low215 Ų215144.8 Ų144.894%0.93576%0.757SS**  trans-64.9101.1-179.4-69.5179.1177.6178.50110.3
179F47Very low39.7Very low192 Ų192147.8 Ų147.884%0.84277%0.774SS**  trans-107.9122.8163.9-96.1-89.8000110.4T177T177-F179 HydrophobicContact CG2-CD2 4.47Å; T177-F179 HydrophobicContact CG2-CE2 4.44Å; T177-F179 PolarHBondContact O-N 2.85Å
180K33.5Very low39.2Very low200 Ų200148.5 Ų148.587%0.8777%0.77SS**  trans-81.1118.1178.6-153.6178.8-174.9-174.20107.5I182K180-I182 PolarHBondContact O-N 3.03Å
181K35.9Very low38.8Very low188 Ų188150.2 Ų150.282%0.81778%0.775SS**  trans-61.1127175.6-84.4-179174.3179.80109.9
182I38.4Very low38.7Very low155 Ų155152.9 Ų152.980%0.79578%0.776SS**  trans-89.6115.7162.5-62.8173.9000105.6K180 V184K180-I182 PolarHBondContact O-N 3.03Å; I182-V184 HydrophobicContact CG2-CG2 4.31Å
183H34.3Very low38.5Very low137 Ų137156.9 Ų156.963%0.63479%0.787SS**  trans-80.4116.3167.7-93.7-98.3000107.7Y185H183-Y185 HydrophobicContact CB-CD2 4.24Å; H183-Y185 HydrophobicContact CB-CE2 3.93Å
184V39.1Very low38.1Very low122 Ų122157.9 Ų157.974%0.73979%0.788SS**  trans-95.6114.6161.7-177.70000105.1I182I182-V184 HydrophobicContact CG2-CG2 4.31Å
185Y37.1Very low38.2Very low184 Ų184157.7 Ų157.772%0.72279%0.787SS**  trans-84.1125.3171.2-77.2-95.6000107.3H183H183-Y185 HydrophobicContact CB-CD2 4.24Å; H183-Y185 HydrophobicContact CB-CE2 3.93Å
186D37.4Very low38Very low150 Ų150157.8 Ų157.880%0.80279%0.789SS**  trans-81.8112.6157.8-75.3-36.9000106.3D188D186-D188 PolarHBondContact O-N 3.23Å
187D39.8Very low38.2Very low155 Ų155163.1 Ų163.183%0.82979%0.793SS**  trans-74.9104.6170.1-98.7-27.7000108.1N189D187-N189 PolarHBondContact O-N 3.3Å
188D37.2Very low38.1Very low143 Ų143163 Ų16377%0.76580%0.796SS**  trans-67.4108.8158-79.4-40.8000107.9D186 Y190D186-D188 PolarHBondContact O-N 3.23Å; D188-Y190 PolarHBondContact O-N 3.29Å
189N36.7Very low38.3Very low147 Ų147161.1 Ų161.179%0.78679%0.791SS**  trans-64.6110.1176.5-138.66.6000109D187 D191D187-N189 PolarHBondContact O-N 3.3Å; N189-D191 PolarHBondContact O-N 3.37Å
190Y34.4Very low38.4Very low203 Ų203159.3 Ų159.380%0.79679%0.79SS**  trans-73.4100.5165.5-82.1-95.8000108.7D188 E192D188-Y190 PolarHBondContact O-N 3.29Å; Y190-E192 PolarHBondContact O-N 3.26Å
191D38.4Very low38.7Very low138 Ų138162.2 Ų162.274%0.73881%0.806SS**  trans-82.592.1156.3-83.7-30000108N189 N193N189-D191 PolarHBondContact O-N 3.37Å; D191-N193 PolarHBondContact O-N 3.17Å
192E41.6Very low38.9Very low167 Ų167160.9 Ų160.978%0.7881%0.805SS**  trans-69.9105.8159.3-95176.6166.600108.3Y190 D194Y190-E192 PolarHBondContact O-N 3.26Å; E192-D194 VanDerWaalsContact C-N 3.31Å; E192-D194 PolarHBondContact O-N 3.04Å
193N36.5Very low38.9Very low152 Ų152161.2 Ų161.281%0.81381%0.806SS**  trans-69.189.9161.4-72.7-51000108.9D191D191-N193 PolarHBondContact O-N 3.17Å
194D36.7Very low39.2Very low153 Ų153162.6 Ų162.682%0.81882%0.815SS**  trans-97.887.8153.4-92.2-23.2000108E192E192-D194 VanDerWaalsContact C-N 3.31Å; E192-D194 PolarHBondContact O-N 3.04Å
195E41.3Very low39.2Very low178 Ų178164.9 Ų164.983%0.83282%0.82SS**  trans-102.5112.6158.9-92.4-172.4171.700109.3Q197E195-Q197 PolarHBondContact O-N 3.38Å
196D37.8Very low39.3Very low156 Ų156163.8 Ų163.883%0.83483%0.826SS**  trans-30.9119.6156.1-102.5-38.2000113.1
197Q42.4Very low39.4Very low191 Ų191164.7 Ų164.789%0.89383%0.828SS**  trans-134.4103.8142.8-71.8-166.213.300109.9E195E195-Q197 PolarHBondContact O-N 3.38Å
198S39.8Very low39.4Very low98 Ų98165.4 Ų165.469%0.68583%0.828SS**  trans-70.2158.2157.641.10000110.9
199E40.3Very low39.6Very low175 Ų175167.1 Ų167.182%0.81883%0.832SS**  trans79.3101165.9-61.7-174.6155.700119.1
200N48.9Very low39.8Very low154 Ų154168.8 Ų168.882%0.82484%0.836SS**  -173.5128.298.5-102.9-41.1000113.5
201H40Very low40.3Very low260 Ų260165.6 Ų165.6100%1.20484%0.84SS**  trans590148.5-137.865.9000121.2

Retrieved 201 of 201 residues in 469.9 ms (Link to these results)

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