A0A077ZEF4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.3Very low53.1Low222 Ų222121.6 Ų121.6100%1.09462%0.615SS**  090-70.1178.8173.100114.4
2G48.6Very low54Low47 Ų47115.9 Ų115.949%0.48559%0.594SS.*Hα-helixtrans-79.2-16.7-169.300000118.5L4 Q5 S6G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 2.94Å; G2-Q5 PolarHBondContact O-N 3.5Å; G2-S6 PolarHBondContact O-N 3.4Å
3L50.6Low54.3Low139 Ų139119.3 Ų119.373%0.72860%0.597SS**Hα-helixtrans-71.6-25.1-179.1-124.379.8000113.5S6L3-S6 PolarHBondContact O-OG 2.97Å
4L51.8Low55.1Low132 Ų132115.1 Ų115.169%0.69159%0.585SS**Hα-helixtrans-77.7-38.2176.8-66.7172.9000110.6G2 K7 Q8G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 2.94Å; L4-K7 PolarHBondContact O-N 2.88Å; L4-Q8 VanDerWaalsContact O-CG 3.28Å; L4-Q8 WeakPolarHBondContact O-CG 3.2Å; L4-Q8 PolarHBondContact O-N 2.87Å
5Q52.9Low55.9Low130 Ų130110.8 Ų110.861%0.60757%0.573SS**Hα-helixtrans-65.6-41.2178.1-73.6177-24.100112.3G2 K7 Q8 L9G2-Q5 PolarHBondContact O-N 3.5Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.74Å; Q5-Q8 PolarHBondContact O-N 2.78Å; Q5-Q8 VanDerWaalsContact O-N 3.11Å; Q5-L9 WeakPolarHBondContact O-CB 3.05Å; Q5-L9 PolarHBondContact O-N 2.87Å
6S55.6Low56.4Low53 Ų53107 Ų10737%0.37156%0.556SS.*Hα-helixtrans-63.5-35.1177.968.80000113G2 L3 K10G2-S6 PolarHBondContact O-N 3.4Å; L3-S6 PolarHBondContact O-OG 2.97Å; S6-K10 WeakPolarHBondContact O-CG 3.08Å; S6-K10 PolarHBondContact O-N 2.83Å
7K56.4Low57.3Low127 Ų127105.8 Ų105.855%0.55255%0.55SS**Hα-helixtrans-68.9-40.2172.4-70.8-174.9-179.8-171.60111.8L4 Q5 L9 K11L4-K7 PolarHBondContact O-N 2.88Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.74Å; K7-L9 VanDerWaalsContact C-N 3.35Å; K7-K11 WeakPolarHBondContact O-CB 3.17Å; K7-K11 WeakPolarHBondContact O-CG 3.39Å; K7-K11 PolarHBondContact O-N 2.7Å
8Q58.1Low58.2Low124 Ų124106.9 Ų106.958%0.57955%0.552SS**Hα-helixtrans-64.5-39175.7-66-67.3-6.300111.6L4 Q5 K11 S12L4-Q8 VanDerWaalsContact O-CG 3.28Å; L4-Q8 WeakPolarHBondContact O-CG 3.2Å; L4-Q8 PolarHBondContact O-N 2.87Å; Q5-Q8 PolarHBondContact O-N 2.78Å; Q5-Q8 VanDerWaalsContact O-N 3.11Å; Q8-K11 PolarHBondContact O-N 2.84Å; Q8-S12 WeakPolarHBondContact O-CB 3.3Å; Q8-S12 PolarHBondContact O-N 3.13Å
9L53Low58.8Low83 Ų83106.9 Ų106.944%0.43555%0.548SS..Hα-helixtrans-68.9-41.5176.1-86151.5000113.1Q5 K7 K11 S12 Y13 E126Q5-L9 WeakPolarHBondContact O-CB 3.05Å; Q5-L9 PolarHBondContact O-N 2.87Å; K7-L9 VanDerWaalsContact C-N 3.35Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 3.41Å; L9-S12 CarbonylContact O-C 3.6Å; L9-S12 WeakPolarHBondContact O-CB 3.19Å; L9-S12 PolarHBondContact O-N 2.79Å; L9-Y13 WeakPolarHBondContact O-CB 3.24Å; L9-Y13 PolarHBondContact O-N 3.26Å; L9-E126 WeakPolarHBondContact CD1-OE2 3.36Å
10K56.6Low59.2Low156 Ų156105.8 Ų105.868%0.67854%0.542SS*.Hα-helixtrans-62.9-39.8173.1-75.7173.8-177.7-76.70111.7S6 Y13 S14S6-K10 WeakPolarHBondContact O-CG 3.08Å; S6-K10 PolarHBondContact O-N 2.83Å; K10-Y13 WeakPolarHBondContact O-CB 3.3Å; K10-Y13 PolarHBondContact O-N 3.33Å; K10-S14 PolarHBondContact O-N 2.78Å; K10-S14 PolarHBondContact O-OG 2.94Å
11K59.6Low59.8Low125 Ų125103.4 Ų103.454%0.54353%0.529SS..Hα-helixtrans-65.3-38.6172.9-72.3172.4-178.9-171.90111.9K7 Q8 L9 S14 A15K7-K11 WeakPolarHBondContact O-CB 3.17Å; K7-K11 WeakPolarHBondContact O-CG 3.39Å; K7-K11 PolarHBondContact O-N 2.7Å; Q8-K11 PolarHBondContact O-N 2.84Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 3.41Å; K11-S14 WeakPolarHBondContact CA-OG 3.41Å; K11-S14 PolarHBondContact O-OG 2.89Å; K11-A15 WeakPolarHBondContact O-CB 3.19Å; K11-A15 PolarHBondContact O-N 3.39Å
12S63.4Low61.3Low53 Ų5397.1 Ų97.137%0.37150%0.5SS..Hα-helixtrans-64.3-43.2172.9173.50000111.1Q8 L9 A15 V16Q8-S12 WeakPolarHBondContact O-CB 3.3Å; Q8-S12 PolarHBondContact O-N 3.13Å; L9-S12 CarbonylContact O-C 3.6Å; L9-S12 WeakPolarHBondContact O-CB 3.19Å; L9-S12 PolarHBondContact O-N 2.79Å; S12-A15 PolarHBondContact O-N 2.6Å; S12-V16 WeakPolarHBondContact O-CB 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.16Å; S12-V16 PolarHBondContact O-N 2.77Å
13Y58.3Low62.3Low160 Ų16096.3 Ų96.363%0.62748%0.483SS*.Hα-helixtrans-61.6-46.1176.3-178.5-100.8000112.3L9 K10 V16 L17L9-Y13 WeakPolarHBondContact O-CB 3.24Å; L9-Y13 PolarHBondContact O-N 3.26Å; K10-Y13 WeakPolarHBondContact O-CB 3.3Å; K10-Y13 PolarHBondContact O-N 3.33Å; Y13-V16 PolarHBondContact O-N 3.47Å; Y13-L17 HydrophobicContact CD1-CD1 3.74Å; Y13-L17 HydrophobicContact CE1-CD1 3.32Å; Y13-L17 HydrophobicContact CE1-CG 4.41Å; Y13-L17 HydrophobicContact CG-CD1 4.49Å; Y13-L17 WeakPolarHBondContact O-CG 3.39Å; Y13-L17 PolarHBondContact O-N 2.82Å
14S64.7Low63.4Low61 Ų6193.3 Ų93.343%0.42747%0.467SS..Hα-helixtrans-66.1-39.5174.860.80000112.2K10 K11 V16 L17 E18K10-S14 PolarHBondContact O-N 2.78Å; K10-S14 PolarHBondContact O-OG 2.94Å; K11-S14 WeakPolarHBondContact CA-OG 3.41Å; K11-S14 PolarHBondContact O-OG 2.89Å; S14-V16 VanDerWaalsContact C-N 3.32Å; S14-V16 PolarHBondContact O-N 2.74Å; S14-L17 PolarHBondContact O-N 3.24Å; S14-E18 WeakPolarHBondContact O-CB 3.41Å; S14-E18 PolarHBondContact O-N 3.33Å
15A68Low64.4Low50 Ų5090.9 Ų90.941%0.41345%0.452SS..Hα-helixtrans-67.5-32.2176.400000112.4K11 S12 K19K11-A15 WeakPolarHBondContact O-CB 3.19Å; K11-A15 PolarHBondContact O-N 3.39Å; S12-A15 PolarHBondContact O-N 2.6Å; A15-K19 WeakPolarHBondContact O-CB 3.23Å; A15-K19 PolarHBondContact O-N 2.85Å
16V64Low65.4Low50 Ų5089.4 Ų89.430%0.30345%0.446SS..Hα-helixtrans-70.7-39.5173.91700000110.6S12 Y13 S14 L20 L119S12-V16 WeakPolarHBondContact O-CB 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.16Å; S12-V16 PolarHBondContact O-N 2.77Å; Y13-V16 PolarHBondContact O-N 3.47Å; S14-V16 VanDerWaalsContact C-N 3.32Å; S14-V16 PolarHBondContact O-N 2.74Å; V16-L20 HydrophobicContact CG1-CD1 4.44Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 PolarHBondContact O-N 2.88Å; V16-L119 HydrophobicContact CG1-CD2 4.36Å
17L70.9Confident65.9Low86 Ų8688.5 Ų88.545%0.4544%0.437SS..Hα-helixtrans-65.5-46.1173.5-78.4163.7000112.1Y13 S14 K19 L20 E21Y13-L17 HydrophobicContact CD1-CD1 3.74Å; Y13-L17 HydrophobicContact CE1-CD1 3.32Å; Y13-L17 HydrophobicContact CE1-CG 4.41Å; Y13-L17 HydrophobicContact CG-CD1 4.49Å; Y13-L17 WeakPolarHBondContact O-CG 3.39Å; Y13-L17 PolarHBondContact O-N 2.82Å; S14-L17 PolarHBondContact O-N 3.24Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.4Å; L17-L20 WeakPolarHBondContact O-CB 3.34Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.13Å; L17-E21 PolarHBondContact O-N 3.46Å
18E73.2Confident66.4Low126 Ų12686.5 Ų86.559%0.58943%0.432SS*.Hα-helixtrans-60.3-43.1175.9-174.2174.8-167.900110.8S14 L20 E21 D22S14-E18 WeakPolarHBondContact O-CB 3.41Å; S14-E18 PolarHBondContact O-N 3.33Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 3.44Å; E18-E21 PolarHBondContact O-N 3.42Å; E18-D22 WeakPolarHBondContact O-CB 3.39Å; E18-D22 PolarHBondContact O-N 3.48Å
19K71Confident66.8Low107 Ų10787.6 Ų87.647%0.46543%0.431SS..Hα-helixtrans-67.4-31.6174.8-170.5173.8-177.5176.60113.2A15 L17 E23A15-K19 WeakPolarHBondContact O-CB 3.23Å; A15-K19 PolarHBondContact O-N 2.85Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.4Å; K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 2.77Å
20L65.3Low67.2Low84 Ų8485.8 Ų85.844%0.4443%0.425SS..Hα-helixtrans-67.2-42.2173.2-118.870.7000110.7V16 L17 E18 E23 I24V16-L20 HydrophobicContact CG1-CD1 4.44Å; V16-L20 WeakPolarHBondContact O-CB 3.31Å; V16-L20 PolarHBondContact O-N 2.88Å; L17-L20 WeakPolarHBondContact O-CB 3.34Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.13Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 3.44Å; L20-E23 PolarHBondContact O-N 3.34Å; L20-I24 WeakPolarHBondContact O-CB 3.28Å; L20-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.4Å; L20-I24 PolarHBondContact O-N 2.74Å
21E72.6Confident67.5Low56 Ų5681.6 Ų81.626%0.26241%0.41SS..Hα-helixtrans-65-45.4175.7-163.557-139.800110.8L17 E18 E23 I24 E25 W208L17-E21 PolarHBondContact O-N 3.46Å; E18-E21 PolarHBondContact O-N 3.42Å; E21-E23 PolarHBondContact O-N 2.78Å; E21-I24 PolarHBondContact O-N 3.5Å; E21-E25 WeakPolarHBondContact O-CB 3.37Å; E21-E25 PolarHBondContact O-N 2.88Å; E21-W208 HydrophobicContact CG-CZ2 4.22Å; E21-W208 VanDerWaalsContact OE1-CE2 3.27Å; E21-W208 WeakPolarHBondContact OE1-CZ2 3.28Å; E21-W208 PolarHBondContact OE1-NE1 3.34Å; E21-W208 WeakPolarHBondContact OE2-CZ2 3.18Å
22D73.4Confident67.7Low90 Ų9077.9 Ų77.948%0.48140%0.402SS..Hα-helixtrans-60.6-41.8174.9-80.6-16.1000112.1E18 E25 E26E18-D22 WeakPolarHBondContact O-CB 3.39Å; E18-D22 PolarHBondContact O-N 3.48Å; D22-E25 PolarHBondContact O-N 2.96Å; D22-E26 WeakPolarHBondContact O-CB 3.4Å; D22-E26 PolarHBondContact O-N 2.76Å
23E69.6Low67.4Low30 Ų3081.3 Ų81.314%0.1442%0.416CS..Hα-helixtrans-72.6-29.6177.2-80.5-172.5-178.600112.1K19 L20 E21 E26 L27 R115K19-E23 WeakPolarHBondContact O-CB 3.35Å; K19-E23 WeakPolarHBondContact O-CG 3.49Å; K19-E23 PolarHBondContact O-N 2.77Å; L20-E23 PolarHBondContact O-N 3.34Å; E21-E23 PolarHBondContact O-N 2.78Å; E23-E26 WeakPolarHBondContact O-CG 3.48Å; E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.27Å; E23-L27 WeakPolarHBondContact O-CD1 3.3Å; E23-L27 WeakPolarHBondContact O-CG 3.11Å; E23-L27 PolarHBondContact O-N 2.68Å; E23-L27 VanDerWaalsContact O-N 3.16Å; E23-R115 IonicContact OE1-NH1 3.01Å; E23-R115 PolarHBondContact OE1-NH1 3.43Å
24I73.2Confident67.2Low76 Ų7678.8 Ų78.839%0.3941%0.405SS..Hα-helixtrans-71.3-43.1171.5-71.2163.8000109.3L20 E21 L27 D28L20-I24 WeakPolarHBondContact O-CB 3.28Å; L20-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.4Å; L20-I24 PolarHBondContact O-N 2.74Å; E21-I24 PolarHBondContact O-N 3.5Å; I24-L27 CarbonylContact O-C 3.52Å; I24-L27 WeakPolarHBondContact O-CB 3.36Å; I24-L27 PolarHBondContact O-N 3.35Å; I24-D28 WeakPolarHBondContact O-CB 3.31Å; I24-D28 PolarHBondContact O-N 3.38Å
25E73.6Confident66.8Low81 Ų8182 Ų8238%0.37941%0.408SS..Hα-helixtrans-69.2-40.5179.7-156.5-165.3157.100111.6E21 D22 L27 D28 R29E21-E25 WeakPolarHBondContact O-CB 3.37Å; E21-E25 PolarHBondContact O-N 2.88Å; D22-E25 PolarHBondContact O-N 2.96Å; E25-L27 VanDerWaalsContact C-N 3.25Å; E25-L27 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 3.29Å; E25-R29 VanDerWaalsContact O-CB 3.27Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.86Å; E25-R29 IonicContact OE1-CZ 3.21Å; E25-R29 IonicContact OE1-NE 2.99Å; E25-R29 PolarHBondContact OE1-NE 3.12Å; E25-R29 IonicContact OE1-NH2 2.67Å; E25-R29 PolarHBondContact OE1-NH2 3.47Å; E25-R29 IonicContact OE2-CZ 3.95Å; E25-R29 IonicContact OE2-NH2 3.09Å; E25-R29 PolarHBondContact OE2-NH2 3.38Å; E25-R29 VanDerWaalsContact OE2-NH2 3.09Å
26E72.5Confident66.2Low100 Ų10086.5 Ų86.547%0.46742%0.418SS..Hα-helixtrans-62.4-38.6173.187.7-177.8170.600110.4D22 E23 S30D22-E26 WeakPolarHBondContact O-CB 3.4Å; D22-E26 PolarHBondContact O-N 2.76Å; E23-E26 WeakPolarHBondContact O-CG 3.48Å; E26-S30 WeakPolarHBondContact O-CB 3.38Å; E26-S30 PolarHBondContact O-N 3.11Å; E26-S30 PolarHBondContact O-OG 2.99Å
27L66.1Low66.3Low34 Ų3491.6 Ų91.618%0.17843%0.432CS..Hα-helixtrans-67.3-47.9177-88.9165.4000110.8E23 I24 E25 R29 S30 D31 L108 K112E23-L27 VanDerWaalsContact O-CB 3.24Å; E23-L27 WeakPolarHBondContact O-CB 3.27Å; E23-L27 WeakPolarHBondContact O-CD1 3.3Å; E23-L27 WeakPolarHBondContact O-CG 3.11Å; E23-L27 PolarHBondContact O-N 2.68Å; E23-L27 VanDerWaalsContact O-N 3.16Å; I24-L27 CarbonylContact O-C 3.52Å; I24-L27 WeakPolarHBondContact O-CB 3.36Å; I24-L27 PolarHBondContact O-N 3.35Å; E25-L27 VanDerWaalsContact C-N 3.25Å; E25-L27 PolarHBondContact O-N 3.41Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-S30 WeakPolarHBondContact CA-OG 3.22Å; L27-S30 CarbonylContact O-C 3.59Å; L27-S30 PolarHBondContact O-N 3.47Å; L27-S30 VanDerWaalsContact O-N 3.1Å; L27-S30 PolarHBondContact O-OG 3.19Å; L27-D31 VanDerWaalsContact O-CB 3.26Å; L27-D31 WeakPolarHBondContact O-CB 3.44Å; L27-D31 PolarHBondContact O-N 3.06Å; L27-L108 HydrophobicContact CD1-CD1 4.12Å; L27-L108 HydrophobicContact CD1-CD2 4.27Å; L27-L108 HydrophobicContact CD2-CD1 3.41Å; L27-L108 VanDerWaalsContact CD2-CD1 3.41Å; L27-L108 HydrophobicContact CG-CD1 4.24Å; L27-K112 VanDerWaalsContact CD1-NZ 3.33Å
28D68.7Low66.2Low85 Ų8590.3 Ų90.346%0.45542%0.424SS..Hα-helixtrans-64.4-38.9178.6-112.1-21.8000111.6I24 E25 A32I24-D28 WeakPolarHBondContact O-CB 3.31Å; I24-D28 PolarHBondContact O-N 3.38Å; E25-D28 PolarHBondContact O-N 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.4Å; D28-A32 PolarHBondContact O-N 2.88Å
29R65.8Low66.1Low147 Ų14793.2 Ų93.256%0.55543%0.429SS*.Hα-helixtrans-62.3-45.5171-72.1179.1-158.6161.53.9110.4E25 L27 A32 L33E25-R29 VanDerWaalsContact O-CB 3.27Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.86Å; E25-R29 IonicContact OE1-CZ 3.21Å; E25-R29 IonicContact OE1-NE 2.99Å; E25-R29 PolarHBondContact OE1-NE 3.12Å; E25-R29 IonicContact OE1-NH2 2.67Å; E25-R29 PolarHBondContact OE1-NH2 3.47Å; E25-R29 IonicContact OE2-CZ 3.95Å; E25-R29 IonicContact OE2-NH2 3.09Å; E25-R29 PolarHBondContact OE2-NH2 3.38Å; E25-R29 VanDerWaalsContact OE2-NH2 3.09Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-A32 PolarHBondContact O-N 3.2Å; R29-L33 VanDerWaalsContact O-CG 3.26Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.28Å
30S61.5Low66.3Low45 Ų4593.5 Ų93.532%0.31543%0.432SS..Hα-helixtrans-69.2-35.1-179.779.50000112.9E26 L27 L33 R34E26-S30 WeakPolarHBondContact O-CB 3.38Å; E26-S30 PolarHBondContact O-N 3.11Å; E26-S30 PolarHBondContact O-OG 2.99Å; L27-S30 WeakPolarHBondContact CA-OG 3.22Å; L27-S30 CarbonylContact O-C 3.59Å; L27-S30 PolarHBondContact O-N 3.47Å; L27-S30 VanDerWaalsContact O-N 3.1Å; L27-S30 PolarHBondContact O-OG 3.19Å; S30-L33 PolarHBondContact O-N 3.25Å; S30-R34 WeakPolarHBondContact O-CB 3.44Å; S30-R34 WeakPolarHBondContact O-CG 3.16Å; S30-R34 PolarHBondContact O-N 2.91Å
31D63.2Low66.8Low68 Ų6894 Ų9436%0.36443%0.431SS..Hα-helixtrans-74.7-38176.8-80.2-25.3000110.5L27 L33 R34 R35L27-D31 VanDerWaalsContact O-CB 3.26Å; L27-D31 WeakPolarHBondContact O-CB 3.44Å; L27-D31 PolarHBondContact O-N 3.06Å; D31-L33 VanDerWaalsContact C-N 3.31Å; D31-L33 PolarHBondContact O-N 2.83Å; D31-R34 CarbonylContact O-C 3.6Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-R34 VanDerWaalsContact O-N 3.16Å; D31-R35 WeakPolarHBondContact O-CB 3.33Å; D31-R35 WeakPolarHBondContact O-CG 3.37Å; D31-R35 PolarHBondContact O-N 3.19Å
32A62.7Low67.2Low46 Ų4694.6 Ų94.638%0.3844%0.436SS..Hα-helixtrans-61.7-39.4171.300000111.6D28 R29D28-A32 WeakPolarHBondContact O-CB 3.4Å; D28-A32 PolarHBondContact O-N 2.88Å; R29-A32 PolarHBondContact O-N 3.2Å
33L58.3Low67.6Low125 Ų12595.5 Ų95.565%0.65444%0.44SS*.Hα-helixtrans-69.2-34.2173.2-68173.6000112.3R29 S30 D31R29-L33 VanDerWaalsContact O-CG 3.26Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.28Å; S30-L33 PolarHBondContact O-N 3.25Å; D31-L33 VanDerWaalsContact C-N 3.31Å; D31-L33 PolarHBondContact O-N 2.83Å
34R52.7Low68.4Low107 Ų10798.1 Ų98.140%0.40446%0.46SS..Hα-helixtrans-76.7-37178.5-83179.1171.9-132.57.1113.5S30 D31 K36 R37S30-R34 WeakPolarHBondContact O-CB 3.44Å; S30-R34 WeakPolarHBondContact O-CG 3.16Å; S30-R34 PolarHBondContact O-N 2.91Å; D31-R34 CarbonylContact O-C 3.6Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-R34 VanDerWaalsContact O-N 3.16Å; R34-K36 PolarHBondContact O-N 3.41Å; R34-R37 WeakPolarHBondContact O-CB 3.33Å; R34-R37 PolarHBondContact O-N 3.03Å
35R56.3Low69Low130 Ų13097.6 Ų97.649%0.49146%0.456SS..Hα-helixtrans-56.1-34.9175.5-80.8-167-74.6-96.84.7111.7D31 R37 E38D31-R35 WeakPolarHBondContact O-CB 3.33Å; D31-R35 WeakPolarHBondContact O-CG 3.37Å; D31-R35 PolarHBondContact O-N 3.19Å; R35-R37 VanDerWaalsContact C-N 3.26Å; R35-R37 PolarHBondContact O-N 3.43Å; R35-E38 WeakPolarHBondContact O-CB 3.44Å; R35-E38 PolarHBondContact O-N 3.39Å; R35-E38 VanDerWaalsContact O-N 3.15Å
36K56.7Low69.6Low143 Ų143100.1 Ų100.162%0.62247%0.466SS*.Hα-helixtrans-61.7-31.2173.5-74.6-174.8178.8179.20113.5R34 E38 Q40R34-K36 PolarHBondContact O-N 3.41Å; K36-E38 VanDerWaalsContact C-N 3.32Å; K36-Q40 WeakPolarHBondContact O-CG 3.47Å; K36-Q40 PolarHBondContact O-N 3.34Å
37R64.4Low70.4Confident157 Ų15799.5 Ų99.559%0.59247%0.468SS*.Hα-helixtrans-73.2-26.4177.5-67.2-169.3-173.1-144.82.2112.3R34 R35 W39 Q40 F41R34-R37 WeakPolarHBondContact O-CB 3.33Å; R34-R37 PolarHBondContact O-N 3.03Å; R35-R37 VanDerWaalsContact C-N 3.26Å; R35-R37 PolarHBondContact O-N 3.43Å; R37-W39 VanDerWaalsContact C-N 3.35Å; R37-W39 PolarHBondContact O-N 2.78Å; R37-Q40 PolarHBondContact O-N 2.99Å; R37-F41 HydrophobicContact CB-CD2 4.46Å; R37-F41 HydrophobicContact CB-CE2 4.26Å; R37-F41 WeakPolarHBondContact O-CD2 3.25Å; R37-F41 PolarHBondContact O-N 3.49Å; R37-F41 VanDerWaalsContact O-N 3.1Å
38E70.5Confident71.4Confident60 Ų60103.5 Ų103.528%0.2848%0.484SS..Hα-helixtrans-60.1-47.5179-52.9-169.1154.100110.5R35 K36 F41 D42 F97R35-E38 WeakPolarHBondContact O-CB 3.44Å; R35-E38 PolarHBondContact O-N 3.39Å; R35-E38 VanDerWaalsContact O-N 3.15Å; K36-E38 VanDerWaalsContact C-N 3.32Å; E38-F41 PolarHBondContact O-N 3Å; E38-D42 PolarHBondContact O-N 3.39Å; E38-F97 HydrophobicContact CB-CE1 4.23Å; E38-F97 HydrophobicContact CB-CZ 4.08Å; E38-F97 HydrophobicContact CG-CD1 4.23Å; E38-F97 HydrophobicContact CG-CE1 3.6Å; E38-F97 HydrophobicContact CG-CZ 3.97Å
39W70.7Confident72.4Confident186 Ų186100.7 Ų100.771%0.70547%0.47SS*.Hα-helixtrans-71.6-33.5177-59.8-9.5000113.2R37 F41 D42 I43R37-W39 VanDerWaalsContact C-N 3.35Å; R37-W39 PolarHBondContact O-N 2.78Å; W39-F41 VanDerWaalsContact C-N 3.29Å; W39-F41 PolarHBondContact O-N 2.86Å; W39-D42 PolarHBondContact O-N 2.9Å; W39-I43 WeakPolarHBondContact O-CB 3.37Å; W39-I43 WeakPolarHBondContact O-CD1 3.38Å; W39-I43 WeakPolarHBondContact O-CG1 3.15Å; W39-I43 PolarHBondContact O-N 3.29Å
40Q75.6Confident73.6Confident113 Ų11397.3 Ų97.353%0.52846%0.462SS..Hα-helixtrans-60-41.7176.3-75175.1-15.200111.5K36 R37 I43 C44K36-Q40 WeakPolarHBondContact O-CG 3.47Å; K36-Q40 PolarHBondContact O-N 3.34Å; R37-Q40 PolarHBondContact O-N 2.99Å; Q40-I43 PolarHBondContact O-N 2.96Å; Q40-C44 WeakPolarHBondContact O-CB 3.36Å; Q40-C44 PolarHBondContact O-N 2.96Å; Q40-C44 PolarHBondContact O-SG 2.95Å; Q40-C44 VanDerWaalsContact O-SG 3.33Å
41F74.8Confident75.1Confident96 Ų96100 Ų10042%0.42147%0.473SS..Hα-helixtrans-67.9-42.5177.5-75.6-65.5000111.8R37 E38 W39 I43 C44 F45 F93 F97R37-F41 HydrophobicContact CB-CD2 4.46Å; R37-F41 HydrophobicContact CB-CE2 4.26Å; R37-F41 WeakPolarHBondContact O-CD2 3.25Å; R37-F41 PolarHBondContact O-N 3.49Å; R37-F41 VanDerWaalsContact O-N 3.1Å; E38-F41 PolarHBondContact O-N 3Å; W39-F41 VanDerWaalsContact C-N 3.29Å; W39-F41 PolarHBondContact O-N 2.86Å; F41-I43 VanDerWaalsContact C-N 3.3Å; F41-I43 PolarHBondContact O-N 3.22Å; F41-C44 PolarHBondContact O-N 3.19Å; F41-F45 WeakPolarHBondContact O-CB 3.5Å; F41-F45 PolarHBondContact O-N 3.44Å; F41-F93 HydrophobicContact CB-CE2 4.43Å; F41-F97 HydrophobicContact CD2-CZ 4.11Å
42D80.7Confident76.3Confident67 Ų6798 Ų9836%0.35846%0.464SS..Hα-helixtrans-58.2-40.4173.2-82.8-34.9000112.5E38 W39 F45 F46 F93E38-D42 PolarHBondContact O-N 3.39Å; W39-D42 PolarHBondContact O-N 2.9Å; D42-F45 WeakPolarHBondContact O-CB 3.46Å; D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.38Å; D42-F93 WeakPolarHBondContact OD1-CE2 3.46Å; D42-F93 WeakPolarHBondContact OD1-CZ 3.38Å; D42-F93 WeakPolarHBondContact OD2-CZ 3.4Å
43I83.2Confident77.6Confident109 Ų109102.7 Ų102.756%0.55947%0.473SS*.Hα-helixtrans-70-52.1178.5-67.6162.1000111.1W39 Q40 F41 F45 F46 V47W39-I43 WeakPolarHBondContact O-CB 3.37Å; W39-I43 WeakPolarHBondContact O-CD1 3.38Å; W39-I43 WeakPolarHBondContact O-CG1 3.15Å; W39-I43 PolarHBondContact O-N 3.29Å; Q40-I43 PolarHBondContact O-N 2.96Å; F41-I43 VanDerWaalsContact C-N 3.3Å; F41-I43 PolarHBondContact O-N 3.22Å; I43-F45 PolarHBondContact O-N 3.3Å; I43-F46 PolarHBondContact O-N 2.87Å; I43-F46 VanDerWaalsContact O-N 3.08Å; I43-V47 WeakPolarHBondContact O-CG2 3.33Å; I43-V47 PolarHBondContact O-N 2.8Å
44C85.3Confident79.2Confident85 Ų85101.4 Ų101.457%0.57447%0.466SS*.Hα-helixtrans-56.3-36.4177.1-75.40000111.6Q40 F41 F48Q40-C44 WeakPolarHBondContact O-CB 3.36Å; Q40-C44 PolarHBondContact O-N 2.96Å; Q40-C44 PolarHBondContact O-SG 2.95Å; Q40-C44 VanDerWaalsContact O-SG 3.33Å; F41-C44 PolarHBondContact O-N 3.19Å; C44-F48 PolarHBondContact O-N 3.49Å
45F85.2Confident80.9Confident66 Ų66100.9 Ų100.929%0.28947%0.471SS..Hα-helixtrans-66.7-46.6175170.9-83.5000113F41 D42 I43 V47 F48 V49 L89F41-F45 WeakPolarHBondContact O-CB 3.5Å; F41-F45 PolarHBondContact O-N 3.44Å; D42-F45 WeakPolarHBondContact O-CB 3.46Å; I43-F45 PolarHBondContact O-N 3.3Å; F45-V47 PolarHBondContact O-N 2.93Å; F45-F48 WeakPolarHBondContact O-CA 3.42Å; F45-F48 WeakPolarHBondContact O-CB 3.47Å; F45-F48 PolarHBondContact O-N 3.35Å; F45-V49 HydrophobicContact CD1-CG2 4.27Å; F45-V49 HydrophobicContact CE1-CG2 3.84Å; F45-V49 HydrophobicContact CZ-CG2 4.19Å; F45-V49 PolarHBondContact O-N 3.47Å; F45-L89 HydrophobicContact CD2-CB 4.49Å; F45-L89 HydrophobicContact CD2-CD2 4.1Å; F45-L89 HydrophobicContact CD2-CG 4.14Å; F45-L89 HydrophobicContact CE1-CD2 4.21Å; F45-L89 HydrophobicContact CE2-CB 3.21Å; F45-L89 HydrophobicContact CE2-CD2 3.21Å; F45-L89 HydrophobicContact CE2-CG 3.13Å; F45-L89 HydrophobicContact CZ-CB 3.31Å; F45-L89 HydrophobicContact CZ-CD2 3.23Å; F45-L89 HydrophobicContact CZ-CG 3.53Å
46F86.1Confident82.3Confident134 Ų13497.1 Ų97.159%0.58846%0.46SS*.Hα-helixtrans-59.8-40.6177.4-174.8-104.9000110.6D42 I43 F48 V49 I50D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.38Å; I43-F46 PolarHBondContact O-N 2.87Å; I43-F46 VanDerWaalsContact O-N 3.08Å; F46-F48 PolarHBondContact O-N 3.3Å; F46-V49 PolarHBondContact O-N 2.77Å; F46-I50 HydrophobicContact CD1-CD1 3.65Å; F46-I50 HydrophobicContact CE1-CD1 3.34Å; F46-I50 HydrophobicContact CE1-CG1 4.38Å; F46-I50 HydrophobicContact CG-CD1 4.47Å; F46-I50 HydrophobicContact CZ-CD1 3.92Å; F46-I50 WeakPolarHBondContact O-CG1 3.38Å; F46-I50 PolarHBondContact O-N 3.31Å
47V89.6Confident83.6Confident86 Ų8693.9 Ų93.952%0.52145%0.453SS..Hα-helixtrans-60.4-43171.8174.30000111.4I43 F45 I50 L51I43-V47 WeakPolarHBondContact O-CG2 3.33Å; I43-V47 PolarHBondContact O-N 2.8Å; F45-V47 PolarHBondContact O-N 2.93Å; V47-I50 PolarHBondContact O-N 3Å; V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 PolarHBondContact O-N 3.5Å
48F88.6Confident84.7Confident118 Ų11893.6 Ų93.652%0.51845%0.453SS..Hα-helixtrans-63.9-40.5177.4-175.3-96.2000112.5C44 F45 F46 L51 S52C44-F48 PolarHBondContact O-N 3.49Å; F45-F48 WeakPolarHBondContact O-CA 3.42Å; F45-F48 WeakPolarHBondContact O-CB 3.47Å; F45-F48 PolarHBondContact O-N 3.35Å; F46-F48 PolarHBondContact O-N 3.3Å; F48-L51 PolarHBondContact O-N 2.98Å; F48-S52 WeakPolarHBondContact O-CB 3.36Å; F48-S52 PolarHBondContact O-N 3.07Å; F48-S52 PolarHBondContact O-OG 3.28Å
49V88.7Confident85.3Confident26 Ų2693.9 Ų93.916%0.15846%0.455CS..Hα-helixtrans-62.2-46175.1174.30000110.4F45 F46 S52 Y53 L89F45-V49 HydrophobicContact CD1-CG2 4.27Å; F45-V49 HydrophobicContact CE1-CG2 3.84Å; F45-V49 HydrophobicContact CZ-CG2 4.19Å; F45-V49 PolarHBondContact O-N 3.47Å; F46-V49 PolarHBondContact O-N 2.77Å; V49-S52 PolarHBondContact O-N 2.88Å; V49-S52 PolarHBondContact O-OG 2.9Å; V49-Y53 PolarHBondContact O-N 3.43Å; V49-L89 HydrophobicContact CG2-CD2 3.89Å
50I90.7Very high85.7Confident76 Ų7686.5 Ų86.539%0.3944%0.437SS..Hα-helixtrans-61.2-46.6175.6-68.3169.7000111.1F46 V47 S52 Y53 L54F46-I50 HydrophobicContact CD1-CD1 3.65Å; F46-I50 HydrophobicContact CE1-CD1 3.34Å; F46-I50 HydrophobicContact CE1-CG1 4.38Å; F46-I50 HydrophobicContact CG-CD1 4.47Å; F46-I50 HydrophobicContact CZ-CD1 3.92Å; F46-I50 WeakPolarHBondContact O-CG1 3.38Å; F46-I50 PolarHBondContact O-N 3.31Å; V47-I50 PolarHBondContact O-N 3Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.13Å; I50-Y53 WeakPolarHBondContact O-CB 3.41Å; I50-Y53 PolarHBondContact O-N 3.47Å; I50-Y53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 4.19Å; I50-L54 HydrophobicContact CG2-CG 4.44Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 2.9Å
51L92.5Very high85.9Confident103 Ų10388.9 Ų88.954%0.53945%0.446SS..Hα-helixtrans-61.1-42178.4-175.767.6000111.2V47 F48 Y53 L54 L55V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 PolarHBondContact O-N 3.5Å; F48-L51 PolarHBondContact O-N 2.98Å; L51-Y53 VanDerWaalsContact C-N 3.33Å; L51-Y53 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.01Å; L51-L55 WeakPolarHBondContact O-CB 3.12Å; L51-L55 PolarHBondContact O-N 3.41Å
52S89Confident86.1Confident24 Ų2487.9 Ų87.917%0.16845%0.447CS..Hα-helixtrans-62.3-40.9175.577.10000111.4F48 V49 I50 L55 L56F48-S52 WeakPolarHBondContact O-CB 3.36Å; F48-S52 PolarHBondContact O-N 3.07Å; F48-S52 PolarHBondContact O-OG 3.28Å; V49-S52 PolarHBondContact O-N 2.88Å; V49-S52 PolarHBondContact O-OG 2.9Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.13Å; S52-L55 PolarHBondContact O-N 3.42Å; S52-L56 WeakPolarHBondContact O-CB 3.35Å; S52-L56 VanDerWaalsContact O-CD1 3.28Å; S52-L56 WeakPolarHBondContact O-CD1 3.41Å; S52-L56 PolarHBondContact O-N 3.01Å
53Y89.7Confident85.5Confident145 Ų14585.7 Ų85.757%0.56944%0.441SS*.Hα-helixtrans-64.6-42.6175.8175.5-97.9000112.4V49 I50 L51 L56 T57V49-Y53 PolarHBondContact O-N 3.43Å; I50-Y53 WeakPolarHBondContact O-CB 3.41Å; I50-Y53 PolarHBondContact O-N 3.47Å; I50-Y53 VanDerWaalsContact O-N 3.16Å; L51-Y53 VanDerWaalsContact C-N 3.33Å; L51-Y53 PolarHBondContact O-N 2.84Å; Y53-L56 WeakPolarHBondContact O-CB 3.31Å; Y53-L56 PolarHBondContact O-N 3.37Å; Y53-T57 PolarHBondContact O-N 3.12Å; Y53-T57 PolarHBondContact O-OG1 2.93Å
54L91.6Very high84.6Confident99 Ų9988.7 Ų88.752%0.51845%0.45SS..Hα-helixtrans-62.7-44.2174.1-71.6174.8000111.5I50 L51 L56 T57 Y58I50-L54 HydrophobicContact CG2-CD1 4.19Å; I50-L54 HydrophobicContact CG2-CG 4.44Å; I50-L54 WeakPolarHBondContact O-CG 3.49Å; I50-L54 PolarHBondContact O-N 2.9Å; L51-L54 PolarHBondContact O-N 3.01Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.37Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-Y58 WeakPolarHBondContact O-CB 3.33Å; L54-Y58 PolarHBondContact O-N 2.83Å
55L88.7Confident83.7Confident96 Ų9693.5 Ų93.550%0.50346%0.464SS..Hα-helixtrans-63.7-39.1177.6-165.166.9000110.9L51 S52 Y58 I59L51-L55 WeakPolarHBondContact O-CB 3.12Å; L51-L55 PolarHBondContact O-N 3.41Å; S52-L55 PolarHBondContact O-N 3.42Å; L55-Y58 PolarHBondContact O-N 3.33Å; L55-I59 HydrophobicContact CD1-CD1 4.39Å; L55-I59 HydrophobicContact CD2-CD1 4.49Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 WeakPolarHBondContact O-CD1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.88Å
56L85.7Confident82.5Confident50 Ų5097.6 Ų97.626%0.26248%0.483SS..Hα-helixtrans-60-48174.4-99.856.7000111.4S52 Y53 L54 G60 W74 L78S52-L56 WeakPolarHBondContact O-CB 3.35Å; S52-L56 VanDerWaalsContact O-CD1 3.28Å; S52-L56 WeakPolarHBondContact O-CD1 3.41Å; S52-L56 PolarHBondContact O-N 3.01Å; Y53-L56 WeakPolarHBondContact O-CB 3.31Å; Y53-L56 PolarHBondContact O-N 3.37Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.37Å; L56-G60 PolarHBondContact O-N 3.44Å; L56-W74 HydrophobicContact CB-CH2 4.32Å; L56-W74 HydrophobicContact CB-CZ3 4.17Å; L56-W74 HydrophobicContact CG-CH2 4.14Å; L56-W74 HydrophobicContact CG-CZ3 4.05Å; L56-W74 WeakPolarHBondContact O-CH2 3.41Å; L56-W74 WeakPolarHBondContact O-CZ3 3.17Å; L56-L78 HydrophobicContact CD2-CD1 3.69Å
57T83.6Confident81.3Confident76 Ų7695.8 Ų95.847%0.46648%0.475SS..Hα-helixtrans-64.1-42.9177.3-52.90000111.7Y53 L54 G60 F61Y53-T57 PolarHBondContact O-N 3.12Å; Y53-T57 PolarHBondContact O-OG1 2.93Å; L54-T57 PolarHBondContact O-N 3.29Å; T57-G60 PolarHBondContact O-N 3.44Å; T57-F61 PolarHBondContact O-N 2.76Å
58Y87.9Confident80.1Confident151 Ų151103.5 Ų103.559%0.59250%0.495SS*.Hα-helixtrans-62.5-48.3179.7177.8-101.7000112L54 L55 G60 F61 V62L54-Y58 WeakPolarHBondContact O-CB 3.33Å; L54-Y58 PolarHBondContact O-N 2.83Å; L55-Y58 PolarHBondContact O-N 3.33Å; Y58-G60 VanDerWaalsContact C-N 3.32Å; Y58-G60 PolarHBondContact O-N 3.49Å; Y58-F61 PolarHBondContact O-N 3.43Å; Y58-V62 HydrophobicContact CD1-CG2 4.4Å; Y58-V62 HydrophobicContact CD2-CG2 4.4Å; Y58-V62 HydrophobicContact CE1-CG2 3.96Å; Y58-V62 HydrophobicContact CE2-CG2 3.96Å; Y58-V62 WeakPolarHBondContact O-CG2 3.47Å; Y58-V62 PolarHBondContact O-N 2.83Å
59I82.9Confident79.2Confident66 Ų66108.4 Ų108.434%0.33851%0.51SS..Hα-helixtrans-70-32.1179-56.1155.7000110.8L55 F61 G63 W74L55-I59 HydrophobicContact CD1-CD1 4.39Å; L55-I59 HydrophobicContact CD2-CD1 4.49Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 WeakPolarHBondContact O-CD1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.88Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.21Å; I59-G63 VanDerWaalsContact O-CA 3.31Å; I59-G63 WeakPolarHBondContact O-CA 3.24Å; I59-G63 PolarHBondContact O-N 3.16Å; I59-W74 HydrophobicContact CB-CH2 3.54Å; I59-W74 HydrophobicContact CB-CZ2 3.31Å; I59-W74 HydrophobicContact CD1-CH2 4.21Å; I59-W74 HydrophobicContact CD1-CZ2 4.03Å; I59-W74 HydrophobicContact CG1-CH2 4.48Å; I59-W74 HydrophobicContact CG1-CZ2 4.29Å; I59-W74 HydrophobicContact CG2-CH2 3.91Å; I59-W74 HydrophobicContact CG2-CZ2 3.12Å
60G79.4Confident78.2Confident31 Ų31113 Ų11332%0.3253%0.525SS..Hα-helixtrans-63.2-35.1170.600000113.1L56 T57 Y58 K64L56-G60 PolarHBondContact O-N 3.44Å; T57-G60 PolarHBondContact O-N 3.44Å; Y58-G60 VanDerWaalsContact C-N 3.32Å; Y58-G60 PolarHBondContact O-N 3.49Å; G60-K64 PolarHBondContact O-N 3.23Å
61F81.2Confident77.3Confident163 Ų163114.4 Ų114.472%0.71553%0.53SS*.Hα-helixtrans-74.2-46.1176.5-168.9-96.9000112.4T57 Y58 I59 K64T57-F61 PolarHBondContact O-N 2.76Å; Y58-F61 PolarHBondContact O-N 3.43Å; I59-F61 VanDerWaalsContact C-N 3.3Å; I59-F61 PolarHBondContact O-N 3.21Å; F61-K64 WeakPolarHBondContact O-CB 3.34Å; F61-K64 PolarHBondContact O-N 3.42Å
62V78.4Confident76.6Confident74 Ų74113.4 Ų113.445%0.44853%0.53SS..Hα-helixtrans-69.8-35.8176.5174.90000111.6Y58 K64 E65Y58-V62 HydrophobicContact CD1-CG2 4.4Å; Y58-V62 HydrophobicContact CD2-CG2 4.4Å; Y58-V62 HydrophobicContact CE1-CG2 3.96Å; Y58-V62 HydrophobicContact CE2-CG2 3.96Å; Y58-V62 WeakPolarHBondContact O-CG2 3.47Å; Y58-V62 PolarHBondContact O-N 2.83Å; V62-K64 PolarHBondContact O-N 2.77Å; V62-E65 PolarHBondContact O-N 3.46Å
63G68.3Low76.3Confident21 Ų21118.9 Ų118.922%0.21655%0.551CS.*Hα-helixtrans-71.9-12.4177.800000114.2I59 H66 K67I59-G63 VanDerWaalsContact O-CA 3.31Å; I59-G63 WeakPolarHBondContact O-CA 3.24Å; I59-G63 PolarHBondContact O-N 3.16Å; G63-H66 CarbonylContact C-O 3.6Å; G63-H66 CarbonylContact O-C 3.02Å; G63-H66 PolarHBondContact O-N 3.35Å; G63-K67 PolarHBondContact O-N 3.44Å
64K64.5Low75.8Confident173 Ų173115.1 Ų115.175%0.75254%0.536SS*.Hα-helixtrans-66.7-36.7174-117178176.9170.90112.4G60 F61 V62 H66G60-K64 PolarHBondContact O-N 3.23Å; F61-K64 WeakPolarHBondContact O-CB 3.34Å; F61-K64 PolarHBondContact O-N 3.42Å; V62-K64 PolarHBondContact O-N 2.77Å; K64-H66 VanDerWaalsContact C-N 3.29Å
65E64.8Low75.2Confident186 Ų186115.5 Ų115.587%0.86954%0.538SS*.Hα-helixtrans-66.7-33.8174.7-82.3-80137.800111.7V62V62-E65 PolarHBondContact O-N 3.46Å
66H60.6Low75.1Confident151 Ų151117.5 Ų117.570%0.69954%0.543SS*.SBendtrans-135.990.1-173.2-149.6-25.9000106.5G63 K64G63-H66 CarbonylContact C-O 3.6Å; G63-H66 CarbonylContact O-C 3.02Å; G63-H66 PolarHBondContact O-N 3.35Å; K64-H66 VanDerWaalsContact C-N 3.29Å
67K60.3Low75.1Confident97 Ų97119.7 Ų119.742%0.42255%0.554SS.*  trans158.790.7145.8-79.7157-171.9-150.80115.1G63 R69 Y70G63-K67 PolarHBondContact O-N 3.44Å; K67-R69 PolarHBondContact O-N 3.3Å; K67-Y70 HydrophobicContact CB-CD2 4.14Å; K67-Y70 HydrophobicContact CD-CD2 3.68Å; K67-Y70 HydrophobicContact CD-CE2 4.4Å; K67-Y70 HydrophobicContact CD-CG 4.13Å; K67-Y70 HydrophobicContact CG-CD2 3.49Å; K67-Y70 VanDerWaalsContact CG-CD2 3.49Å; K67-Y70 HydrophobicContact CG-CE2 4.15Å; K67-Y70 HydrophobicContact CG-CG 4.34Å
68R65.9Low75.2Confident247 Ų247119.9 Ų119.993%0.93255%0.552SS**SBendtrans-66.2-13155.5-174.9170.8170-177.1-2.2113.8
69R68.1Low75.1Confident221 Ų221119.2 Ų119.283%0.83456%0.558SS**SBendtrans-102.4-17.1-171.7-76.2-129.9-164.8177.35.6116.7K67K67-R69 PolarHBondContact O-N 3.3Å
70Y68.3Low75.4Confident122 Ų122121.9 Ų121.948%0.47857%0.567SS.*SBendtrans-119.99.1-176.1-57.2-99.7000113.9K67 P72 F73 W74K67-Y70 HydrophobicContact CB-CD2 4.14Å; K67-Y70 HydrophobicContact CD-CD2 3.68Å; K67-Y70 HydrophobicContact CD-CE2 4.4Å; K67-Y70 HydrophobicContact CD-CG 4.13Å; K67-Y70 HydrophobicContact CG-CD2 3.49Å; K67-Y70 VanDerWaalsContact CG-CD2 3.49Å; K67-Y70 HydrophobicContact CG-CE2 4.15Å; K67-Y70 HydrophobicContact CG-CG 4.34Å; Y70-P72 VanDerWaalsContact C-N 3.28Å; Y70-F73 AromaticContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CE2 4.31Å; Y70-F73 HydrophobicContact CG-CD2 4.47Å; Y70-F73 PolarHBondContact O-N 3.24Å; Y70-F73 VanDerWaalsContact O-N 3.13Å; Y70-W74 PolarHBondContact O-N 2.67Å
71E71.4Confident75.8Confident106 Ų106121.5 Ų121.550%0.49556%0.563SS.*Hα-helixtrans-38.5-50.6166.8-77.5-70.416500113.2F73 W74 L75E71-F73 PolarHBondContact O-N 2.82Å; E71-W74 PolarHBondContact O-N 3.26Å; E71-L75 PolarHBondContact O-N 2.8Å
72P77.7Confident76.1Confident82 Ų82120.3 Ų120.353%0.53256%0.555SS.*Hα-helixtrans-69.9-36.3-176.526.1-34.8000113.5Y70 W74 L75 F76Y70-P72 VanDerWaalsContact C-N 3.28Å; P72-W74 VanDerWaalsContact C-N 3.29Å; P72-W74 PolarHBondContact O-N 3.41Å; P72-L75 PolarHBondContact O-N 3.09Å; P72-F76 WeakPolarHBondContact O-CB 3.09Å; P72-F76 PolarHBondContact O-N 3.28Å
73F83.2Confident76.6Confident139 Ų139119.9 Ų119.961%0.6155%0.553SS**Hα-helixtrans-66.8-34.7-179.6-67.4-69.6000111.7Y70 E71 F76 I77Y70-F73 AromaticContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CD2 3.83Å; Y70-F73 HydrophobicContact CD1-CE2 4.31Å; Y70-F73 HydrophobicContact CG-CD2 4.47Å; Y70-F73 PolarHBondContact O-N 3.24Å; Y70-F73 VanDerWaalsContact O-N 3.13Å; E71-F73 PolarHBondContact O-N 2.82Å; F73-F76 PolarHBondContact O-N 2.98Å; F73-I77 PolarHBondContact O-N 2.74Å
74W80.1Confident77.7Confident66 Ų66124.2 Ų124.225%0.2557%0.566CS.*Hα-helixtrans-67.7-42.2176.6-108.787.8000113L56 I59 Y70 E71 P72 F76 I77 L78L56-W74 HydrophobicContact CB-CH2 4.32Å; L56-W74 HydrophobicContact CB-CZ3 4.17Å; L56-W74 HydrophobicContact CG-CH2 4.14Å; L56-W74 HydrophobicContact CG-CZ3 4.05Å; L56-W74 WeakPolarHBondContact O-CH2 3.41Å; L56-W74 WeakPolarHBondContact O-CZ3 3.17Å; I59-W74 HydrophobicContact CB-CH2 3.54Å; I59-W74 HydrophobicContact CB-CZ2 3.31Å; I59-W74 HydrophobicContact CD1-CH2 4.21Å; I59-W74 HydrophobicContact CD1-CZ2 4.03Å; I59-W74 HydrophobicContact CG1-CH2 4.48Å; I59-W74 HydrophobicContact CG1-CZ2 4.29Å; I59-W74 HydrophobicContact CG2-CH2 3.91Å; I59-W74 HydrophobicContact CG2-CZ2 3.12Å; Y70-W74 PolarHBondContact O-N 2.67Å; E71-W74 PolarHBondContact O-N 3.26Å; P72-W74 VanDerWaalsContact C-N 3.29Å; P72-W74 PolarHBondContact O-N 3.41Å; W74-F76 VanDerWaalsContact C-N 3.34Å; W74-I77 WeakPolarHBondContact O-CG2 3.07Å; W74-L78 WeakPolarHBondContact O-CB 3.32Å; W74-L78 PolarHBondContact O-N 2.82Å; W74-L78 VanDerWaalsContact O-N 3.1Å
75L79.1Confident78.8Confident108 Ų108118.6 Ų118.657%0.56554%0.544SS*.Hα-helixtrans-67.7-37.7174-66.2172.9000111.3E71 P72 L78 L79E71-L75 PolarHBondContact O-N 2.8Å; P72-L75 PolarHBondContact O-N 3.09Å; L75-L78 PolarHBondContact O-N 3.36Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 2.87Å
76F86.7Confident79.9Confident137 Ų137113.1 Ų113.160%0.60152%0.521SS*.Hα-helixtrans-67.2-42.9178.8-164.6-95.3000112.5P72 F73 W74 L78 L79 F80P72-F76 WeakPolarHBondContact O-CB 3.09Å; P72-F76 PolarHBondContact O-N 3.28Å; F73-F76 PolarHBondContact O-N 2.98Å; W74-F76 VanDerWaalsContact C-N 3.34Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.78Å; F76-L79 PolarHBondContact O-N 2.7Å; F76-F80 HydrophobicContact CD1-CB 4.44Å; F76-F80 HydrophobicContact CE1-CB 4.19Å; F76-F80 HydrophobicContact CE1-CG 4.48Å; F76-F80 HydrophobicContact CZ-CB 4.43Å; F76-F80 VanDerWaalsContact O-CB 3.3Å; F76-F80 WeakPolarHBondContact O-CB 3.42Å; F76-F80 PolarHBondContact O-N 2.68Å
77I85.2Confident81.2Confident96 Ų96112.6 Ų112.649%0.49251%0.513SS..Hα-helixtrans-65.8-35.7175.5-162.680.5000111.1F73 W74 G81F73-I77 PolarHBondContact O-N 2.74Å; W74-I77 WeakPolarHBondContact O-CG2 3.07Å; I77-G81 WeakPolarHBondContact O-CA 3.27Å; I77-G81 PolarHBondContact O-N 2.77Å
78L85.4Confident82.5Confident80 Ų80111.3 Ų111.342%0.41951%0.511SS..Hα-helixtrans-70.2-45.1176.2-17663.6000111.4L56 W74 L75 F76 Y82L56-L78 HydrophobicContact CD2-CD1 3.69Å; W74-L78 WeakPolarHBondContact O-CB 3.32Å; W74-L78 PolarHBondContact O-N 2.82Å; W74-L78 VanDerWaalsContact O-N 3.1Å; L75-L78 PolarHBondContact O-N 3.36Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.78Å; L78-Y82 VanDerWaalsContact O-CB 3.3Å; L78-Y82 WeakPolarHBondContact O-CB 3.48Å; L78-Y82 PolarHBondContact O-N 3.41Å
79L86.5Confident83.4Confident138 Ų138100.5 Ų100.572%0.72347%0.471SS*.Hα-helixtrans-71.6-44-176.3-175.663.9000112.6L75 F76 P83L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 PolarHBondContact O-N 2.87Å; F76-L79 PolarHBondContact O-N 2.7Å; L79-P83 WeakPolarHBondContact O-CD 3.47Å; L79-P83 VanDerWaalsContact O-CG 3.28Å; L79-P83 WeakPolarHBondContact O-CG 3.32Å
80F89.4Confident84.2Confident122 Ų12299.2 Ų99.254%0.53547%0.466SS..Hα-helixtrans-94.3-36.3-178.3-159.3-102.7000112.2F76 Y82 P83 F84F76-F80 HydrophobicContact CD1-CB 4.44Å; F76-F80 HydrophobicContact CE1-CB 4.19Å; F76-F80 HydrophobicContact CE1-CG 4.48Å; F76-F80 HydrophobicContact CZ-CB 4.43Å; F76-F80 VanDerWaalsContact O-CB 3.3Å; F76-F80 WeakPolarHBondContact O-CB 3.42Å; F76-F80 PolarHBondContact O-N 2.68Å; F80-Y82 PolarHBondContact O-N 3.48Å; F80-P83 VanDerWaalsContact O-CD 3.32Å; F80-P83 WeakPolarHBondContact O-CD 3.17Å; F80-P83 WeakPolarHBondContact O-CG 3.18Å; F80-F84 HydrophobicContact CD1-CB 4.42Å; F80-F84 HydrophobicContact CE1-CB 4.46Å; F80-F84 HydrophobicContact CE1-CD2 4.25Å; F80-F84 WeakPolarHBondContact O-CB 3.48Å; F80-F84 PolarHBondContact O-N 2.94Å; F80-F84 VanDerWaalsContact O-N 3.07Å
81G87.5Confident85.1Confident22 Ų22100.8 Ų100.823%0.22747%0.471CS..Hα-helixtrans-64.5-38.6179.600000112.2I77 F84 L85I77-G81 WeakPolarHBondContact O-CA 3.27Å; I77-G81 PolarHBondContact O-N 2.77Å; G81-F84 PolarHBondContact O-N 3.5Å; G81-L85 WeakPolarHBondContact O-CA 3.44Å; G81-L85 WeakPolarHBondContact O-CB 3.27Å; G81-L85 PolarHBondContact O-N 3.42Å
82Y85.8Confident85.7Confident139 Ų139100.2 Ų100.255%0.54547%0.471SS..Hα-helixtrans-61-55.6178.9-175.6-102.2000114.2L78 F80 F84 L85 L86L78-Y82 VanDerWaalsContact O-CB 3.3Å; L78-Y82 WeakPolarHBondContact O-CB 3.48Å; L78-Y82 PolarHBondContact O-N 3.41Å; F80-Y82 PolarHBondContact O-N 3.48Å; Y82-F84 VanDerWaalsContact C-N 3.35Å; Y82-F84 PolarHBondContact O-N 3.21Å; Y82-L85 PolarHBondContact O-N 3.42Å; Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CE1-CD1 3.44Å; Y82-L86 VanDerWaalsContact CE1-CD1 3.44Å; Y82-L86 HydrophobicContact CE1-CG 4.41Å; Y82-L86 HydrophobicContact CE2-CD1 4.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.13Å; Y82-L86 PolarHBondContact O-N 3.4Å
83P90.4Very high85.9Confident65 Ų6599.1 Ų99.142%0.42246%0.458SS..Hα-helixtrans-66.4-36.7177.326.3-34.5000112.2L79 F80 L86 Y87L79-P83 WeakPolarHBondContact O-CD 3.47Å; L79-P83 VanDerWaalsContact O-CG 3.28Å; L79-P83 WeakPolarHBondContact O-CG 3.32Å; F80-P83 VanDerWaalsContact O-CD 3.32Å; F80-P83 WeakPolarHBondContact O-CD 3.17Å; F80-P83 WeakPolarHBondContact O-CG 3.18Å; P83-L86 PolarHBondContact O-N 2.88Å; P83-Y87 VanDerWaalsContact O-CB 3.29Å; P83-Y87 WeakPolarHBondContact O-CB 3.26Å; P83-Y87 PolarHBondContact O-N 3.44Å
84F90.1Very high85.8Confident112 Ų11295.9 Ų95.949%0.49145%0.452SS..Hα-helixtrans-64.7-43177.4-173.7-98.1000111.6F80 G81 Y82 Y87 L88F80-F84 HydrophobicContact CD1-CB 4.42Å; F80-F84 HydrophobicContact CE1-CB 4.46Å; F80-F84 HydrophobicContact CE1-CD2 4.25Å; F80-F84 WeakPolarHBondContact O-CB 3.48Å; F80-F84 PolarHBondContact O-N 2.94Å; F80-F84 VanDerWaalsContact O-N 3.07Å; G81-F84 PolarHBondContact O-N 3.5Å; Y82-F84 VanDerWaalsContact C-N 3.35Å; Y82-F84 PolarHBondContact O-N 3.21Å; F84-Y87 PolarHBondContact O-N 2.73Å; F84-L88 HydrophobicContact CE1-CD2 3.9Å; F84-L88 HydrophobicContact CZ-CD2 4.43Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 2.73Å
85L88.1Confident85.6Confident54 Ų5498.8 Ų98.828%0.28347%0.467SS..Hα-helixtrans-60.8-57175.7-165.770.7000108.5G81 Y82 Y87 L88 L89G81-L85 WeakPolarHBondContact O-CA 3.44Å; G81-L85 WeakPolarHBondContact O-CB 3.27Å; G81-L85 PolarHBondContact O-N 3.42Å; Y82-L85 PolarHBondContact O-N 3.42Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.46Å; L85-L88 PolarHBondContact O-N 2.92Å; L85-L89 HydrophobicContact CD1-CD1 3.54Å; L85-L89 HydrophobicContact CD1-CD2 4.24Å; L85-L89 HydrophobicContact CD2-CD2 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.8Å; L85-L89 HydrophobicContact CG-CD2 3.75Å; L85-L89 HydrophobicContact CG-CG 4.45Å; L85-L89 WeakPolarHBondContact O-CB 3.19Å; L85-L89 WeakPolarHBondContact O-CD1 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.12Å; L85-L89 PolarHBondContact O-N 3.36Å
86L87.8Confident85.6Confident72 Ų7299.1 Ų99.138%0.37746%0.462SS..Hα-helixtrans-52.7-43.1177.9-72.4178.1000113.5Y82 P83 R90Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CE1-CD1 3.44Å; Y82-L86 VanDerWaalsContact CE1-CD1 3.44Å; Y82-L86 HydrophobicContact CE1-CG 4.41Å; Y82-L86 HydrophobicContact CE2-CD1 4.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.13Å; Y82-L86 PolarHBondContact O-N 3.4Å; P83-L86 PolarHBondContact O-N 2.88Å; L86-R90 WeakPolarHBondContact O-CB 3.12Å; L86-R90 PolarHBondContact O-N 2.94Å
87Y88.7Confident84.6Confident139 Ų13994 Ų9455%0.54544%0.439SS..Hα-helixtrans-68.2-52.1179.9-179.4-93.6000112.6P83 F84 L85 L89 R90 R91P83-Y87 VanDerWaalsContact O-CB 3.29Å; P83-Y87 WeakPolarHBondContact O-CB 3.26Å; P83-Y87 PolarHBondContact O-N 3.44Å; F84-Y87 PolarHBondContact O-N 2.73Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.46Å; Y87-L89 PolarHBondContact O-N 3.1Å; Y87-R90 PolarHBondContact O-N 2.91Å; Y87-R91 WeakPolarHBondContact O-CB 3.31Å; Y87-R91 PolarHBondContact O-N 3.16Å; Y87-R91 PolarHBondContact OH-NH1 3.45Å
88L86.4Confident83.8Confident70 Ų7091.8 Ų91.837%0.36644%0.436SS..Hα-helixtrans-59.5-40.2-179.3-176.362.8000110.1F84 L85 R91 I92F84-L88 HydrophobicContact CE1-CD2 3.9Å; F84-L88 HydrophobicContact CZ-CD2 4.43Å; F84-L88 WeakPolarHBondContact O-CB 3.44Å; F84-L88 PolarHBondContact O-N 2.73Å; L85-L88 PolarHBondContact O-N 2.92Å; L88-R91 PolarHBondContact O-N 2.8Å; L88-I92 HydrophobicContact CD1-CD1 4.19Å; L88-I92 HydrophobicContact CD1-CG1 4.4Å; L88-I92 HydrophobicContact CD2-CD1 4.37Å; L88-I92 HydrophobicContact CG-CD1 3.8Å; L88-I92 HydrophobicContact CG-CG1 4.4Å; L88-I92 WeakPolarHBondContact O-CB 3.17Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 3.04Å
89L85Confident82.8Confident20 Ų2095.5 Ų95.511%0.10544%0.444CS..Hα-helixtrans-65.5-47.8179-91.355.6000112.3F45 V49 L85 Y87 R91 I92 F93F45-L89 HydrophobicContact CD2-CB 4.49Å; F45-L89 HydrophobicContact CD2-CD2 4.1Å; F45-L89 HydrophobicContact CD2-CG 4.14Å; F45-L89 HydrophobicContact CE1-CD2 4.21Å; F45-L89 HydrophobicContact CE2-CB 3.21Å; F45-L89 HydrophobicContact CE2-CD2 3.21Å; F45-L89 HydrophobicContact CE2-CG 3.13Å; F45-L89 HydrophobicContact CZ-CB 3.31Å; F45-L89 HydrophobicContact CZ-CD2 3.23Å; F45-L89 HydrophobicContact CZ-CG 3.53Å; V49-L89 HydrophobicContact CG2-CD2 3.89Å; L85-L89 HydrophobicContact CD1-CD1 3.54Å; L85-L89 HydrophobicContact CD1-CD2 4.24Å; L85-L89 HydrophobicContact CD2-CD2 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.8Å; L85-L89 HydrophobicContact CG-CD2 3.75Å; L85-L89 HydrophobicContact CG-CG 4.45Å; L85-L89 WeakPolarHBondContact O-CB 3.19Å; L85-L89 WeakPolarHBondContact O-CD1 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.12Å; L85-L89 PolarHBondContact O-N 3.36Å; Y87-L89 PolarHBondContact O-N 3.1Å; L89-R91 PolarHBondContact O-N 3.49Å; L89-I92 PolarHBondContact O-N 3.45Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.1Å
90R86.1Confident81.8Confident194 Ų19495.9 Ų95.973%0.73244%0.436SS*.Hα-helixtrans-58.6-35.5173.6-177.5175175.7104.2-2.9111.7L86 Y87 S94L86-R90 WeakPolarHBondContact O-CB 3.12Å; L86-R90 PolarHBondContact O-N 2.94Å; Y87-R90 PolarHBondContact O-N 2.91Å; R90-S94 WeakPolarHBondContact O-CB 3.26Å; R90-S94 PolarHBondContact O-N 3.47Å; R90-S94 PolarHBondContact O-OG 3.45Å
91R86.6Confident80.2Confident155 Ų15598 Ų9859%0.58544%0.44SS*.Hα-helixtrans-74.9-44.5-179.6-169.7154.8-177145.10.6112.3Y87 L88 L89 F93 F95Y87-R91 WeakPolarHBondContact O-CB 3.31Å; Y87-R91 PolarHBondContact O-N 3.16Å; Y87-R91 PolarHBondContact OH-NH1 3.45Å; L88-R91 PolarHBondContact O-N 2.8Å; L89-R91 PolarHBondContact O-N 3.49Å; R91-F93 VanDerWaalsContact C-N 3.33Å; R91-F95 WeakPolarHBondContact O-CB 2.99Å; R91-F95 PolarHBondContact O-N 2.99Å
92I84.1Confident78.7Confident95 Ų95102.4 Ų102.449%0.48746%0.455SS..Hα-helixtrans-61.6-44.3173.5-68.3166.8000109.5L88 L89 F95 Y96L88-I92 HydrophobicContact CD1-CD1 4.19Å; L88-I92 HydrophobicContact CD1-CG1 4.4Å; L88-I92 HydrophobicContact CD2-CD1 4.37Å; L88-I92 HydrophobicContact CG-CD1 3.8Å; L88-I92 HydrophobicContact CG-CG1 4.4Å; L88-I92 WeakPolarHBondContact O-CB 3.17Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 3.04Å; L89-I92 PolarHBondContact O-N 3.45Å; I92-F95 PolarHBondContact O-N 2.88Å; I92-Y96 WeakPolarHBondContact O-CA 3.43Å; I92-Y96 WeakPolarHBondContact O-CB 3.38Å; I92-Y96 PolarHBondContact O-N 2.84Å
93F82.6Confident77.3Confident59 Ų59100.1 Ų100.126%0.25945%0.452SS..Hα-helixtrans-59.7-52.5178.7-169.4-99.9000112.1F41 D42 L89 R91 F95 Y96 F97F41-F93 HydrophobicContact CB-CE2 4.43Å; D42-F93 WeakPolarHBondContact OD1-CE2 3.46Å; D42-F93 WeakPolarHBondContact OD1-CZ 3.38Å; D42-F93 WeakPolarHBondContact OD2-CZ 3.4Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.1Å; R91-F93 VanDerWaalsContact C-N 3.33Å; F93-F95 PolarHBondContact O-N 3.22Å; F93-Y96 PolarHBondContact O-N 3.32Å; F93-F97 HydrophobicContact CD1-CD2 4.37Å; F93-F97 HydrophobicContact CD2-CD2 4.15Å; F93-F97 AromaticContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CE1-CD2 4.08Å; F93-F97 HydrophobicContact CE1-CE2 4.32Å; F93-F97 AromaticContact CE2-CD2 3.86Å; F93-F97 HydrophobicContact CE2-CD2 3.86Å; F93-F97 AromaticContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CZ 4.49Å; F93-F97 HydrophobicContact CG-CD2 4.4Å; F93-F97 AromaticContact CZ-CD2 3.79Å; F93-F97 HydrophobicContact CZ-CD2 3.79Å; F93-F97 AromaticContact CZ-CE2 3.56Å; F93-F97 HydrophobicContact CZ-CE2 3.56Å; F93-F97 WeakPolarHBondContact O-CD2 3.35Å; F93-F97 PolarHBondContact O-N 2.74Å; F93-F97 VanDerWaalsContact O-N 3.14Å
94S79.4Confident76Confident70 Ų7099.4 Ų99.449%0.4945%0.448SS..Hα-helixtrans-59.1-46.4177.2-60.80000112.2R90 A98R90-S94 WeakPolarHBondContact O-CB 3.26Å; R90-S94 PolarHBondContact O-N 3.47Å; R90-S94 PolarHBondContact O-OG 3.45Å; S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 3.36Å
95F77.5Confident74.6Confident128 Ų128100 Ų10056%0.56145%0.452SS*.Hα-helixtrans-73.3-38.1-177-173.5-98.9000112.3R91 I92 F93 A98 R99R91-F95 WeakPolarHBondContact O-CB 2.99Å; R91-F95 PolarHBondContact O-N 2.99Å; I92-F95 PolarHBondContact O-N 2.88Å; F93-F95 PolarHBondContact O-N 3.22Å; F95-A98 PolarHBondContact O-N 2.76Å; F95-R99 HydrophobicContact CD1-CB 4.45Å; F95-R99 HydrophobicContact CE1-CB 4.27Å; F95-R99 HydrophobicContact CE1-CG 4.34Å; F95-R99 WeakPolarHBondContact O-CB 3.06Å; F95-R99 PolarHBondContact O-N 2.79Å
96Y77.6Confident73.6Confident115 Ų115100.7 Ų100.745%0.45146%0.456SS..Hα-helixtrans-62.6-47.6178.6-178.7-98.1000110.7I92 F93 R100I92-Y96 WeakPolarHBondContact O-CA 3.43Å; I92-Y96 WeakPolarHBondContact O-CB 3.38Å; I92-Y96 PolarHBondContact O-N 2.84Å; F93-Y96 PolarHBondContact O-N 3.32Å; Y96-R100 WeakPolarHBondContact O-CB 3.27Å; Y96-R100 PolarHBondContact O-N 3.07Å
97F66.5Low72.6Confident28 Ų28103.6 Ų103.612%0.12347%0.468CS..Hα-helixtrans-71.7-36.6175.4-80-69000113.2E38 F41 F93 R101E38-F97 HydrophobicContact CB-CE1 4.23Å; E38-F97 HydrophobicContact CB-CZ 4.08Å; E38-F97 HydrophobicContact CG-CD1 4.23Å; E38-F97 HydrophobicContact CG-CE1 3.6Å; E38-F97 HydrophobicContact CG-CZ 3.97Å; F41-F97 HydrophobicContact CD2-CZ 4.11Å; F93-F97 HydrophobicContact CD1-CD2 4.37Å; F93-F97 HydrophobicContact CD2-CD2 4.15Å; F93-F97 AromaticContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CD2-CE2 3.95Å; F93-F97 HydrophobicContact CE1-CD2 4.08Å; F93-F97 HydrophobicContact CE1-CE2 4.32Å; F93-F97 AromaticContact CE2-CD2 3.86Å; F93-F97 HydrophobicContact CE2-CD2 3.86Å; F93-F97 AromaticContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CE2 3.37Å; F93-F97 HydrophobicContact CE2-CZ 4.49Å; F93-F97 HydrophobicContact CG-CD2 4.4Å; F93-F97 AromaticContact CZ-CD2 3.79Å; F93-F97 HydrophobicContact CZ-CD2 3.79Å; F93-F97 AromaticContact CZ-CE2 3.56Å; F93-F97 HydrophobicContact CZ-CE2 3.56Å; F93-F97 WeakPolarHBondContact O-CD2 3.35Å; F93-F97 PolarHBondContact O-N 2.74Å; F93-F97 VanDerWaalsContact O-N 3.14Å; F97-R101 VanDerWaalsContact O-CB 3.31Å; F97-R101 WeakPolarHBondContact O-CB 3.13Å; F97-R101 VanDerWaalsContact O-CG 3.3Å; F97-R101 WeakPolarHBondContact O-CG 3.4Å; F97-R101 PolarHBondContact O-N 2.9Å; F97-R101 PolarHBondContact O-NE 2.8Å
98A67.9Low71.5Confident51 Ų5199.2 Ų99.242%0.42145%0.453SS..Hα-helixtrans-62-45.4173.800000111.7S94 F95 H102S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 3.36Å; F95-A98 PolarHBondContact O-N 2.76Å; A98-H102 WeakPolarHBondContact O-CB 3.49Å; A98-H102 PolarHBondContact O-N 3.27Å
99R65.2Low70.7Confident157 Ų15798.6 Ų98.659%0.59245%0.452SS*.Hα-helixtrans-69.6-39.6179.5-167.379.4-179.2-176.73.2111.8F95F95-R99 HydrophobicContact CD1-CB 4.45Å; F95-R99 HydrophobicContact CE1-CB 4.27Å; F95-R99 HydrophobicContact CE1-CG 4.34Å; F95-R99 WeakPolarHBondContact O-CB 3.06Å; F95-R99 PolarHBondContact O-N 2.79Å
100R65.5Low70.2Confident147 Ų147101.6 Ų101.656%0.55547%0.472SS*.Hα-helixtrans-73.5-33.9-179.2-167.668.9177.8-179.72.5112.8Y96Y96-R100 WeakPolarHBondContact O-CB 3.27Å; Y96-R100 PolarHBondContact O-N 3.07Å
101R55.5Low69.6Low166 Ų16697 Ų9763%0.62646%0.461SS*.Hα-helixtrans-72.7-37.3175.8-73.2-172-63.2171.2-0.3112.7F97 N103 H105F97-R101 VanDerWaalsContact O-CB 3.31Å; F97-R101 WeakPolarHBondContact O-CB 3.13Å; F97-R101 VanDerWaalsContact O-CG 3.3Å; F97-R101 WeakPolarHBondContact O-CG 3.4Å; F97-R101 PolarHBondContact O-N 2.9Å; F97-R101 PolarHBondContact O-NE 2.8Å; R101-N103 PolarHBondContact O-N 2.79Å; R101-H105 PolarHBondContact O-N 2.84Å
102H55.2Low68.6Low114 Ų11492.8 Ų92.853%0.52845%0.447SS..Hα-helixtrans-64.4-43-174-164.365.8000113.5A98 N106A98-H102 WeakPolarHBondContact O-CB 3.49Å; A98-H102 PolarHBondContact O-N 3.27Å; H102-N106 PolarHBondContact CD2-ND2 3.28Å; H102-N106 PolarHBondContact CE1-ND2 3.06Å; H102-N106 PolarHBondContact NE2-ND2 2.85Å; H102-N106 VanDerWaalsContact NE2-ND2 3.12Å; H102-N106 PolarHBondContact O-N 2.8Å; H102-N106 PolarHBondContact O-ND2 3.14Å; H102-N106 PolarHBondContact O-OD1 3.31Å
103N57.5Low68Low91 Ų9194.4 Ų94.449%0.48745%0.452SS..Hα-helixtrans-73.6-31.9-175.5-73.49.9000113.6R101 Q107R101-N103 PolarHBondContact O-N 2.79Å; N103-Q107 WeakPolarHBondContact O-CG 3.42Å; N103-Q107 PolarHBondContact O-N 3.49Å
104C62.5Low67.6Low50 Ų5097.5 Ų97.534%0.33847%0.468SS..Hα-helixtrans-74.5-40.4-178.6-157.50000111.6L108C104-L108 PolarHBondContact O-N 2.99Å
105H62.1Low66.7Low126 Ų126100.8 Ų100.858%0.58347%0.469SS*.Hα-helixtrans-65.1-43.7178.9-167.373.7000111.4R101 Q107 L108 V109R101-H105 PolarHBondContact O-N 2.84Å; H105-Q107 PolarHBondContact O-N 3.19Å; H105-L108 PolarHBondContact O-N 2.85Å; H105-V109 VanDerWaalsContact O-CG2 3.31Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 3.41Å
106N66.1Low66.4Low67 Ų6799.6 Ų99.636%0.35847%0.468SS..Hα-helixtrans-66-37.3-177.9-64.8-8.6000112.8H102 T110H102-N106 PolarHBondContact CD2-ND2 3.28Å; H102-N106 PolarHBondContact CE1-ND2 3.06Å; H102-N106 PolarHBondContact NE2-ND2 2.85Å; H102-N106 VanDerWaalsContact NE2-ND2 3.12Å; H102-N106 PolarHBondContact O-N 2.8Å; H102-N106 PolarHBondContact O-ND2 3.14Å; H102-N106 PolarHBondContact O-OD1 3.31Å; N106-T110 WeakPolarHBondContact O-CB 3.41Å; N106-T110 VanDerWaalsContact O-CG2 3.25Å; N106-T110 WeakPolarHBondContact O-CG2 3.4Å; N106-T110 PolarHBondContact O-N 3.1Å; N106-T110 PolarHBondContact O-OG1 3.15Å
107Q65.7Low66.4Low134 Ų134100.2 Ų100.263%0.62648%0.475SS*.Hα-helixtrans-67.4-39.5178.5-73.8-177.6-10.500112.2N103 H105 T110 L111N103-Q107 WeakPolarHBondContact O-CG 3.42Å; N103-Q107 PolarHBondContact O-N 3.49Å; H105-Q107 PolarHBondContact O-N 3.19Å; Q107-T110 PolarHBondContact O-OG1 3.21Å; Q107-T110 VanDerWaalsContact O-OG1 3.07Å; Q107-L111 WeakPolarHBondContact O-CG 3.37Å; Q107-L111 PolarHBondContact O-N 3.28Å
108L66.1Low66.7Low47 Ų47103 Ų10325%0.24650%0.495CS..Hα-helixtrans-68.5-44.6175.8-91.6155.5000112.1L27 C104 H105 T110 L111 K112L27-L108 HydrophobicContact CD1-CD1 4.12Å; L27-L108 HydrophobicContact CD1-CD2 4.27Å; L27-L108 HydrophobicContact CD2-CD1 3.41Å; L27-L108 VanDerWaalsContact CD2-CD1 3.41Å; L27-L108 HydrophobicContact CG-CD1 4.24Å; C104-L108 PolarHBondContact O-N 2.99Å; H105-L108 PolarHBondContact O-N 2.85Å; L108-T110 PolarHBondContact O-N 3.48Å; L108-L111 PolarHBondContact O-N 3.31Å; L108-K112 WeakPolarHBondContact O-CB 3.42Å; L108-K112 WeakPolarHBondContact O-CD 3.14Å; L108-K112 WeakPolarHBondContact O-CG 3.27Å; L108-K112 PolarHBondContact O-N 3.34Å
109V70.7Confident66.9Low57 Ų57104.3 Ų104.335%0.34549%0.494SS..Hα-helixtrans-65.6-40.2-179.6174.90000111.6H105 K112 Q113H105-V109 VanDerWaalsContact O-CG2 3.31Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 3.41Å; V109-K112 WeakPolarHBondContact O-CB 3.33Å; V109-K112 PolarHBondContact O-N 3.25Å; V109-Q113 WeakPolarHBondContact O-CB 2.84Å; V109-Q113 PolarHBondContact O-N 3.45Å
110T75.1Confident67.2Low83 Ų83100.5 Ų100.551%0.50949%0.485SS..Hα-helixtrans-66-44.1178.148.60000112.3N106 Q107 L108 K112 Q113 Q114N106-T110 WeakPolarHBondContact O-CB 3.41Å; N106-T110 VanDerWaalsContact O-CG2 3.25Å; N106-T110 WeakPolarHBondContact O-CG2 3.4Å; N106-T110 PolarHBondContact O-N 3.1Å; N106-T110 PolarHBondContact O-OG1 3.15Å; Q107-T110 PolarHBondContact O-OG1 3.21Å; Q107-T110 VanDerWaalsContact O-OG1 3.07Å; L108-T110 PolarHBondContact O-N 3.48Å; T110-K112 VanDerWaalsContact C-N 3.31Å; T110-K112 PolarHBondContact O-N 3.32Å; T110-Q113 PolarHBondContact O-N 3.29Å; T110-Q114 WeakPolarHBondContact O-CB 3.42Å; T110-Q114 PolarHBondContact O-N 3.27Å
111L73.1Confident67.9Low98 Ų9898.6 Ų98.651%0.51348%0.483SS..Hα-helixtrans-64.1-36174.4-70175.4000112.1Q107 L108 R115Q107-L111 WeakPolarHBondContact O-CG 3.37Å; Q107-L111 PolarHBondContact O-N 3.28Å; L108-L111 PolarHBondContact O-N 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.23Å; L111-R115 PolarHBondContact O-N 3.42Å
112K65.2Low68.9Low66 Ų6694.2 Ų94.229%0.28747%0.474SS..Hα-helixtrans-64-47.4173.5-75.4171.9-177.1-167.80111.5L27 L108 V109 T110 R115 L116L27-K112 VanDerWaalsContact CD1-NZ 3.33Å; L108-K112 WeakPolarHBondContact O-CB 3.42Å; L108-K112 WeakPolarHBondContact O-CD 3.14Å; L108-K112 WeakPolarHBondContact O-CG 3.27Å; L108-K112 PolarHBondContact O-N 3.34Å; V109-K112 WeakPolarHBondContact O-CB 3.33Å; V109-K112 PolarHBondContact O-N 3.25Å; T110-K112 VanDerWaalsContact C-N 3.31Å; T110-K112 PolarHBondContact O-N 3.32Å; K112-R115 PolarHBondContact O-N 2.75Å; K112-L116 WeakPolarHBondContact O-CG 3.07Å; K112-L116 PolarHBondContact O-N 3.48Å
113Q71.4Confident69.4Low128 Ų12895 Ų9560%0.59848%0.476SS*.Hα-helixtrans-68.4-39.2-178-169.1155-11.100112.1V109 T110 R115 L116 Q117V109-Q113 WeakPolarHBondContact O-CB 2.84Å; V109-Q113 PolarHBondContact O-N 3.45Å; T110-Q113 PolarHBondContact O-N 3.29Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.85Å; Q113-L116 PolarHBondContact O-N 2.89Å; Q113-Q117 WeakPolarHBondContact O-CB 3.21Å; Q113-Q117 PolarHBondContact O-N 3.48Å
114Q74.1Confident70.1Confident125 Ų12596.3 Ų96.358%0.58448%0.479SS*.Hα-helixtrans-63.8-37.2176.1-163.2174.13.100111.7T110 V118T110-Q114 WeakPolarHBondContact O-CB 3.42Å; T110-Q114 PolarHBondContact O-N 3.27Å; Q114-V118 WeakPolarHBondContact O-CG2 3.04Å; Q114-V118 PolarHBondContact O-N 3.07Å
115R60.8Low70.9Confident139 Ų13997.9 Ų97.953%0.52548%0.484SS..Hα-helixtrans-70.5-40.7173.6-73.8179.6-180169.43.9112.8E23 L111 K112 Q113 Q117 V118 L119E23-R115 IonicContact OE1-NH1 3.01Å; E23-R115 PolarHBondContact OE1-NH1 3.43Å; L111-R115 WeakPolarHBondContact O-CG 3.23Å; L111-R115 PolarHBondContact O-N 3.42Å; K112-R115 PolarHBondContact O-N 2.75Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 2.85Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-V118 PolarHBondContact O-N 3.5Å; R115-L119 WeakPolarHBondContact O-CB 3.35Å; R115-L119 PolarHBondContact O-N 2.93Å
116L71.7Confident71.2Confident102 Ų10295.5 Ų95.553%0.53447%0.473SS..Hα-helixtrans-64.9-35.9175.6-73.3174.8000112.1K112 Q113 L119 N120K112-L116 WeakPolarHBondContact O-CG 3.07Å; K112-L116 PolarHBondContact O-N 3.48Å; Q113-L116 PolarHBondContact O-N 2.89Å; L116-L119 PolarHBondContact O-N 3.28Å; L116-N120 VanDerWaalsContact O-CB 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.36Å; L116-N120 PolarHBondContact O-N 3.28Å
117Q76.5Confident71.7Confident129 Ų12996.3 Ų96.360%0.60348%0.481SS*.Hα-helixtrans-64-49.6176.6-175.4176.8-3.900111.1Q113 R115 L119 N120 E121Q113-Q117 WeakPolarHBondContact O-CB 3.21Å; Q113-Q117 PolarHBondContact O-N 3.48Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; Q117-L119 VanDerWaalsContact C-N 3.29Å; Q117-L119 PolarHBondContact O-N 3.03Å; Q117-N120 PolarHBondContact O-N 3.18Å; Q117-E121 VanDerWaalsContact O-CB 3.3Å; Q117-E121 WeakPolarHBondContact O-CB 3.2Å; Q117-E121 PolarHBondContact O-N 3.33Å
118V73.6Confident71.9Confident87 Ų8797.2 Ų97.253%0.52748%0.48SS..Hα-helixtrans-62-38.4176.4175.30000111.1Q114 R115 V122Q114-V118 WeakPolarHBondContact O-CG2 3.04Å; Q114-V118 PolarHBondContact O-N 3.07Å; R115-V118 PolarHBondContact O-N 3.5Å; V118-V122 WeakPolarHBondContact O-CG2 3.18Å; V118-V122 PolarHBondContact O-N 2.91Å; V118-V122 VanDerWaalsContact O-N 3.12Å
119L72.1Confident72.2Confident78 Ų78101.9 Ų101.941%0.40850%0.498SS..Hα-helixtrans-65.6-44.6176.2179.163.5000112.5V16 R115 L116 Q117 V122 K123V16-L119 HydrophobicContact CG1-CD2 4.36Å; R115-L119 WeakPolarHBondContact O-CB 3.35Å; R115-L119 PolarHBondContact O-N 2.93Å; L116-L119 PolarHBondContact O-N 3.28Å; Q117-L119 VanDerWaalsContact C-N 3.29Å; Q117-L119 PolarHBondContact O-N 3.03Å; L119-V122 PolarHBondContact O-N 2.97Å; L119-K123 WeakPolarHBondContact O-CB 3.05Å; L119-K123 PolarHBondContact O-N 3.4Å
120N71.4Confident72.4Confident76 Ų76103.4 Ų103.441%0.40651%0.507SS..Hα-helixtrans-70.9-36.4-179-160.242.6000111.2L116 Q117 V122 K123 E124L116-N120 VanDerWaalsContact O-CB 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.36Å; L116-N120 PolarHBondContact O-N 3.28Å; Q117-N120 PolarHBondContact O-N 3.18Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.48Å; N120-K123 PolarHBondContact O-N 3.39Å; N120-E124 PolarHBondContact ND2-OE1 3.44Å; N120-E124 WeakPolarHBondContact O-CB 3.29Å; N120-E124 WeakPolarHBondContact O-CG 3.43Å; N120-E124 PolarHBondContact O-N 2.94Å
121E79.2Confident72.5Confident107 Ų107102.1 Ų102.150%0.551%0.505SS..Hα-helixtrans-59.1-44.6172-178.5177.1175.900111.4Q117 N125Q117-E121 VanDerWaalsContact O-CB 3.3Å; Q117-E121 WeakPolarHBondContact O-CB 3.2Å; Q117-E121 PolarHBondContact O-N 3.33Å; E121-N125 VanDerWaalsContact O-CB 3.23Å; E121-N125 WeakPolarHBondContact O-CB 3.34Å; E121-N125 PolarHBondContact O-N 3.21Å; E121-N125 PolarHBondContact O-ND2 2.83Å
122V77.4Confident72.8Confident74 Ų74102.4 Ų102.445%0.44850%0.502SS..Hα-helixtrans-64.9-41.7175.2174.20000110.9V118 L119 N120 N125 E126V118-V122 WeakPolarHBondContact O-CG2 3.18Å; V118-V122 PolarHBondContact O-N 2.91Å; V118-V122 VanDerWaalsContact O-N 3.12Å; L119-V122 PolarHBondContact O-N 2.97Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.48Å; V122-N125 PolarHBondContact O-N 2.88Å; V122-E126 HydrophobicContact CG1-CG 4.48Å; V122-E126 WeakPolarHBondContact O-CB 2.96Å; V122-E126 WeakPolarHBondContact O-CG 2.97Å; V122-E126 PolarHBondContact O-N 2.81Å
123K65.2Low73.7Confident132 Ų132103.9 Ų103.957%0.57451%0.51SS*.Hα-helixtrans-65.8-41.5178.8-174.7-176.8177.4-174.30112.8L119 N120 E126 T127L119-K123 WeakPolarHBondContact O-CB 3.05Å; L119-K123 PolarHBondContact O-N 3.4Å; N120-K123 PolarHBondContact O-N 3.39Å; K123-E126 PolarHBondContact O-N 3.46Å; K123-T127 VanDerWaalsContact O-CB 3.27Å; K123-T127 WeakPolarHBondContact O-CB 3.09Å; K123-T127 PolarHBondContact O-N 2.9Å; K123-T127 PolarHBondContact O-OG1 3.31Å
124E71.9Confident74.1Confident118 Ų118102.4 Ų102.455%0.55151%0.506SS*.Hα-helixtrans-69.6-41.7178-75.6177.7-170.400110.7N120 E126 T127 Y128N120-E124 PolarHBondContact ND2-OE1 3.44Å; N120-E124 WeakPolarHBondContact O-CB 3.29Å; N120-E124 WeakPolarHBondContact O-CG 3.43Å; N120-E124 PolarHBondContact O-N 2.94Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 2.99Å; E124-T127 PolarHBondContact O-N 2.91Å; E124-Y128 WeakPolarHBondContact O-CB 3.4Å; E124-Y128 PolarHBondContact O-N 3.07Å
125N79.3Confident74.4Confident82 Ų82101.5 Ų101.544%0.43950%0.504SS..Hα-helixtrans-62.6-38.5173.1-76.8-44000111.9E121 V122 K129E121-N125 VanDerWaalsContact O-CB 3.23Å; E121-N125 WeakPolarHBondContact O-CB 3.34Å; E121-N125 PolarHBondContact O-N 3.21Å; E121-N125 PolarHBondContact O-ND2 2.83Å; V122-N125 PolarHBondContact O-N 2.88Å; N125-K129 VanDerWaalsContact O-CB 3.31Å; N125-K129 WeakPolarHBondContact O-CB 3.2Å; N125-K129 WeakPolarHBondContact O-CG 2.98Å; N125-K129 PolarHBondContact O-N 3.48Å
126E68.7Low75.3Confident77 Ų7799.2 Ų99.236%0.3650%0.502SS..Hα-helixtrans-73.7-39.2174.7-75.4-171.3170.100112.7L9 V122 K123 E124 Y128 K129 V130L9-E126 WeakPolarHBondContact CD1-OE2 3.36Å; V122-E126 HydrophobicContact CG1-CG 4.48Å; V122-E126 WeakPolarHBondContact O-CB 2.96Å; V122-E126 WeakPolarHBondContact O-CG 2.97Å; V122-E126 PolarHBondContact O-N 2.81Å; K123-E126 PolarHBondContact O-N 3.46Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 2.99Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.37Å; E126-K129 CarbonylContact O-C 3.56Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-V130 VanDerWaalsContact O-CB 3.3Å; E126-V130 WeakPolarHBondContact O-CB 3.39Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.36Å
127T76Confident75.7Confident84 Ų84101.4 Ų101.452%0.51550%0.503SS..Hα-helixtrans-65.3-40.4175.4-55.60000110.2K123 E124 V130 A131K123-T127 VanDerWaalsContact O-CB 3.27Å; K123-T127 WeakPolarHBondContact O-CB 3.09Å; K123-T127 PolarHBondContact O-N 2.9Å; K123-T127 PolarHBondContact O-OG1 3.31Å; E124-T127 PolarHBondContact O-N 2.91Å; T127-V130 PolarHBondContact O-N 2.83Å; T127-A131 WeakPolarHBondContact O-CB 2.99Å; T127-A131 PolarHBondContact O-N 3.45Å
128Y70.5Confident75.7Confident152 Ų152100.9 Ų100.960%0.59650%0.5SS*.Hα-helixtrans-64-44.7171.9-179.3-96.6000111.2E124 E126 A131 K132E124-Y128 WeakPolarHBondContact O-CB 3.4Å; E124-Y128 PolarHBondContact O-N 3.07Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.37Å; Y128-A131 PolarHBondContact O-N 2.82Å; Y128-K132 HydrophobicContact CE1-CD 4.1Å; Y128-K132 WeakPolarHBondContact O-CB 3.3Å; Y128-K132 PolarHBondContact O-N 3.34Å
129K72Confident75.8Confident145 Ų145101.8 Ų101.863%0.6350%0.501SS*.Hα-helixtrans-62.2-42.9175.1-80.3173.5-177.51780112.3N125 E126 E133N125-K129 VanDerWaalsContact O-CB 3.31Å; N125-K129 WeakPolarHBondContact O-CB 3.2Å; N125-K129 WeakPolarHBondContact O-CG 2.98Å; N125-K129 PolarHBondContact O-N 3.48Å; E126-K129 CarbonylContact O-C 3.56Å; E126-K129 PolarHBondContact O-N 3.42Å; K129-E133 VanDerWaalsContact O-CB 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.45Å; K129-E133 PolarHBondContact O-N 3.31Å
130V74.5Confident75.8Confident90 Ų90102 Ų10255%0.54551%0.514SS..Hα-helixtrans-68.7-44.1178.4170.30000110.3E126 T127 E133 L134E126-V130 VanDerWaalsContact O-CB 3.3Å; E126-V130 WeakPolarHBondContact O-CB 3.39Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.36Å; T127-V130 PolarHBondContact O-N 2.83Å; V130-E133 PolarHBondContact O-N 3.01Å; V130-L134 WeakPolarHBondContact O-CB 2.99Å; V130-L134 PolarHBondContact O-N 2.98Å
131A79Confident75.4Confident55 Ų55103.6 Ų103.646%0.45553%0.527SS..Hα-helixtrans-64.7-40.317600000111.6T127 Y128 L134 L135T127-A131 WeakPolarHBondContact O-CB 2.99Å; T127-A131 PolarHBondContact O-N 3.45Å; Y128-A131 PolarHBondContact O-N 2.82Å; A131-L134 PolarHBondContact O-N 3.08Å; A131-L135 WeakPolarHBondContact O-CB 3.44Å; A131-L135 PolarHBondContact O-N 3.03Å
132K78.8Confident74Confident104 Ų104104.1 Ų104.145%0.45253%0.533SS..Hα-helixtrans-65.2-45.6174.6-175.2173.5-178176.40111.5Y128 L134 L135 D136Y128-K132 HydrophobicContact CE1-CD 4.1Å; Y128-K132 WeakPolarHBondContact O-CB 3.3Å; Y128-K132 PolarHBondContact O-N 3.34Å; K132-L134 VanDerWaalsContact C-N 3.27Å; K132-L134 PolarHBondContact O-N 3.49Å; K132-L135 PolarHBondContact O-N 3.13Å; K132-D136 WeakPolarHBondContact O-CB 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.32Å; K132-D136 PolarHBondContact O-N 3.42Å
133E84.3Confident72.5Confident98 Ų98103 Ų10346%0.45854%0.536SS..Hα-helixtrans-61.6-38.4174.4-172.5-173.8166.300111K129 V130 R137K129-E133 VanDerWaalsContact O-CB 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.45Å; K129-E133 PolarHBondContact O-N 3.31Å; V130-E133 PolarHBondContact O-N 3.01Å; E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.05Å; E133-R137 PolarHBondContact O-N 3.36Å; E133-R137 IonicContact OE1-CZ 3.31Å; E133-R137 VanDerWaalsContact OE1-CZ 3.31Å; E133-R137 IonicContact OE1-NE 2.94Å; E133-R137 PolarHBondContact OE1-NE 2.7Å; E133-R137 IonicContact OE1-NH2 2.78Å; E133-R137 PolarHBondContact OE1-NH2 3.03Å
134L80.2Confident71.4Confident97 Ų97107.3 Ų107.351%0.50855%0.549SS..Hα-helixtrans-66.7-44.4176.4-146.273.2000111V130 A131 K132 R137 F138V130-L134 WeakPolarHBondContact O-CB 2.99Å; V130-L134 PolarHBondContact O-N 2.98Å; A131-L134 PolarHBondContact O-N 3.08Å; K132-L134 VanDerWaalsContact C-N 3.27Å; K132-L134 PolarHBondContact O-N 3.49Å; L134-R137 PolarHBondContact O-N 3.16Å; L134-F138 HydrophobicContact CD2-CE2 4.42Å; L134-F138 HydrophobicContact CG-CD2 4.07Å; L134-F138 HydrophobicContact CG-CE2 4.1Å; L134-F138 WeakPolarHBondContact O-CB 3.32Å; L134-F138 VanDerWaalsContact O-CD2 3.3Å; L134-F138 WeakPolarHBondContact O-CD2 3.38Å; L134-F138 PolarHBondContact O-N 3.33Å
135L78.9Confident70.2Confident105 Ų105107.6 Ų107.655%0.5556%0.561SS.*Hα-helixtrans-61.7-47.3176.2-171.866.9000111.2A131 K132 R137 F138 D139A131-L135 WeakPolarHBondContact O-CB 3.44Å; A131-L135 PolarHBondContact O-N 3.03Å; K132-L135 PolarHBondContact O-N 3.13Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.2Å; L135-F138 CarbonylContact O-C 3.57Å; L135-F138 PolarHBondContact O-N 3.41Å; L135-F138 VanDerWaalsContact O-N 3.13Å; L135-D139 PolarHBondContact O-N 3.46Å
136D79.5Confident68.3Low91 Ų91115.4 Ų115.449%0.48759%0.585SS.*Hα-helixtrans-61.9-40177-72.4-18.6000111.3K132 A140K132-D136 WeakPolarHBondContact O-CB 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.32Å; K132-D136 PolarHBondContact O-N 3.42Å; D136-A140 WeakPolarHBondContact O-CB 3.47Å; D136-A140 PolarHBondContact O-N 3.39Å
137R79.8Confident67Low148 Ų148115.6 Ų115.656%0.55860%0.599SS**Hα-helixtrans-67.1-40.2173.8-77.4179.2-174.8-93.7-0.6111.7E133 L134 L135 A140 T141E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.05Å; E133-R137 PolarHBondContact O-N 3.36Å; E133-R137 IonicContact OE1-CZ 3.31Å; E133-R137 VanDerWaalsContact OE1-CZ 3.31Å; E133-R137 IonicContact OE1-NE 2.94Å; E133-R137 PolarHBondContact OE1-NE 2.7Å; E133-R137 IonicContact OE1-NH2 2.78Å; E133-R137 PolarHBondContact OE1-NH2 3.03Å; L134-R137 PolarHBondContact O-N 3.16Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.2Å; R137-A140 PolarHBondContact O-N 2.94Å; R137-T141 WeakPolarHBondContact O-CB 3.44Å; R137-T141 PolarHBondContact O-N 3.42Å; R137-T141 PolarHBondContact O-OG1 2.95Å
138F78Confident65.4Low119 Ų119122.9 Ų122.952%0.52262%0.617SS.*Hα-helixtrans-68.9-38.9177.5-95.6-86.5000111.5L134 L135 T141 N142L134-F138 HydrophobicContact CD2-CE2 4.42Å; L134-F138 HydrophobicContact CG-CD2 4.07Å; L134-F138 HydrophobicContact CG-CE2 4.1Å; L134-F138 WeakPolarHBondContact O-CB 3.32Å; L134-F138 VanDerWaalsContact O-CD2 3.3Å; L134-F138 WeakPolarHBondContact O-CD2 3.38Å; L134-F138 PolarHBondContact O-N 3.33Å; L135-F138 CarbonylContact O-C 3.57Å; L135-F138 PolarHBondContact O-N 3.41Å; L135-F138 VanDerWaalsContact O-N 3.13Å; F138-T141 PolarHBondContact O-N 2.81Å; F138-N142 WeakPolarHBondContact O-CA 3.28Å; F138-N142 WeakPolarHBondContact O-CB 3.33Å; F138-N142 PolarHBondContact O-N 2.89Å
139D75.2Confident63.8Low106 Ų106122.9 Ų122.957%0.56763%0.627SS**Hα-helixtrans-72-33.7174.5-79.8-19.8000112.1L135 G143L135-D139 PolarHBondContact O-N 3.46Å; D139-G143 WeakPolarHBondContact O-CA 3.34Å; D139-G143 PolarHBondContact O-N 2.93Å
140A71.7Confident62.2Low81 Ų81120.8 Ų120.867%0.66964%0.637SS**Hα-helixtrans-69.7-35.6172.100000112.3D136 R137D136-A140 WeakPolarHBondContact O-CB 3.47Å; D136-A140 PolarHBondContact O-N 3.39Å; R137-A140 PolarHBondContact O-N 2.94Å
141T63.6Low60.3Low111 Ų111123.8 Ų123.868%0.68166%0.656SS**Hα-helixtrans-84.3-38.1-177.8-48.70000111.9R137 F138R137-T141 WeakPolarHBondContact O-CB 3.44Å; R137-T141 PolarHBondContact O-N 3.42Å; R137-T141 PolarHBondContact O-OG1 2.95Å; F138-T141 PolarHBondContact O-N 2.81Å
142N50Low58.1Low118 Ų118124.4 Ų124.463%0.63167%0.668SS**Hα-helixtrans-93.4-1.1175.1-72.4-9.1000113.3F138 R144F138-N142 WeakPolarHBondContact O-CA 3.28Å; F138-N142 WeakPolarHBondContact O-CB 3.33Å; F138-N142 PolarHBondContact O-N 2.89Å; N142-R144 PolarHBondContact O-N 3.36Å
143G44.9Very low56.6Low50 Ų50124.6 Ų124.652%0.51568%0.68SS.*  trans-73.950.5166.200000112.3D139D139-G143 WeakPolarHBondContact O-CA 3.34Å; D139-G143 PolarHBondContact O-N 2.93Å
144R42.6Very low54.3Low223 Ų223127.6 Ų127.684%0.84270%0.699SS**SBendtrans-55.7136.9140.6-100-178.4174-164.1-1.6106.8N142 R146N142-R144 PolarHBondContact O-N 3.36Å; R144-R146 PolarHBondContact O-N 3.25Å
145P46.7Very low52.1Low124 Ų124126.4 Ų126.481%0.80571%0.71SS**  trans-66107.1-160.526.5-33.1000109.9A147P145-A147 VanDerWaalsContact C-N 3.32Å; P145-A147 PolarHBondContact O-N 3.1Å
146R40.1Very low50Low246 Ų246130.2 Ų130.293%0.92873%0.725SS**  trans-73.396.3166.7-166.9171.9-177.6176.7-0.1107.8R144R144-R146 PolarHBondContact O-N 3.25Å
147A41.3Very low47.8Very low81 Ų81131.7 Ų131.767%0.66974%0.738SS**  trans54.780.8153.100000115.8P145P145-A147 VanDerWaalsContact C-N 3.32Å; P145-A147 PolarHBondContact O-N 3.1Å
148R41.7Very low45.8Very low237 Ų237133.4 Ų133.489%0.89475%0.75SS**  trans-113.681.5140.4-139.9-175.8-74.1171.7-2.9107.8
149N37.1Very low43.8Very low151 Ų151133.2 Ų133.281%0.80776%0.758SS**  trans35.489.7151.5-52.6-11.3000116.4
150A38.4Very low41.7Very low101 Ų101134.9 Ų134.984%0.83577%0.767SS**  trans-149.4119.8154.200000109.9
151T34.3Very low40.2Very low153 Ų153139.2 Ų139.294%0.93977%0.773SS**  trans-49.8139.2178.7-46.40000114.7
152G33Very low38.7Very low69 Ų69140.3 Ų140.371%0.71178%0.78SS**  trans161.1121.816200000115.1
153P47.5Very low38.4Very low107 Ų107140.1 Ų140.170%0.69579%0.785SS**  trans-95.2172.7-174.439.5-33.7000113.5
154D34.7Very low37.9Very low161 Ų161143.5 Ų143.586%0.86180%0.796SS**  trans94.1127.3160.5-44.1-32.5000118.8
155G35Very low37.8Very low73 Ų73141.6 Ų141.675%0.75380%0.797SS**  trans120.679.3144.700000120.7
156E35.6Very low37.3Very low185 Ų185142.3 Ų142.386%0.86480%0.799SS**  42.5119.4128.8-57.6-171.2122.300124.8
157T32.4Very low37.7Very low122 Ų122137 Ų13775%0.74880%0.797SS**  67.1146118.2-36.90000124.4
158F38.4Very low37.5Very low184 Ų184144.3 Ų144.381%0.80781%0.807SS**  trans94.5114.1166.7-113-93.7000117
159V35.7Very low38.3Very low115 Ų115144.3 Ų144.370%0.69781%0.807SS**  cis86.4108.739.9-1770000115.5
160D30.5Very low38.5Very low140 Ų140143.8 Ų143.875%0.74980%0.804SS**  trans78.8146.5143.6-151.524.1000123.7
161Q40.4Very low38.3Very low172 Ų172145.3 Ų145.380%0.80480%0.802SS**  trans122.3126.4148.4-59.4-172.1500120.6
162T33.1Very low38.8Very low134 Ų134144 Ų14482%0.82280%0.796SS**  trans-102.4148.1178.8-62.40000110.8
163P43.1Very low39.5Very low115 Ų115146.5 Ų146.575%0.74780%0.8SS**  trans-145.8133.7143.633.2-14.3000117.8
164T33.1Very low39.2Very low121 Ų121146.8 Ų146.874%0.74281%0.805SS**  15.6136.9128.7-31.30000123.6
165Q40.5Very low39.3Very low183 Ų183145.9 Ų145.986%0.85581%0.805SS**  152.1143.3114.7-79.1-162.736.100116.8
166T37Very low39.4Very low139 Ų139146.1 Ų146.185%0.85381%0.807SS**  trans-107.2141.9-167.8-13.30000112.9
167P49.1Very low39.4Very low135 Ų135143.8 Ų143.888%0.87781%0.806SS**  trans-100.3162.7-178.4-526.3000118
168R36.4Very low39.9Very low234 Ų234143 Ų14388%0.88380%0.803SS**  trans-121.6149.7-163.3-178.3-169.4-171.8-168.94.8111.1
169R58.4Low39.8Very low237 Ų237138.7 Ų138.789%0.89480%0.796SS**  trans-170.9114.1159.6-155.7169.5-179.8150.3-0.4110.9
170N40.7Very low39.9Very low139 Ų139141.3 Ų141.374%0.74381%0.806SS**  80.7127.774.1-84.126.8000117.2
171V36.1Very low40Very low133 Ų133143 Ų14381%0.80681%0.809SS**  trans-72.5170.9-175.3-78.70000116.5
172P43.7Very low40.4Very low125 Ų125139.8 Ų139.881%0.81280%0.803SS**  -141.5162.4123.537.8-23.6000116
173P47.3Very low40.8Very low122 Ų122145.1 Ų145.179%0.79281%0.808SS**  trans-114161.3-178.140.6-29.4000114.8
174S40.8Very low40.2Very low113 Ų113149.5 Ų149.579%0.7982%0.816SS**  trans-179.4108.7148.4-150.20000109.4
175V38.2Very low40.3Very low143 Ų143147.3 Ų147.387%0.86782%0.817SS**  68.8115.986.6-179.80000115.2
176G36.7Very low40.2Very low78 Ų78143.1 Ų143.180%0.80481%0.813SS**  trans171.696168.700000112.9
177T35.3Very low40.1Very low135 Ų135147 Ų14783%0.82882%0.819SS**  trans-88.2172.8168.8-15.80000108.8
178P42.4Very low39.6Very low106 Ų106143.6 Ų143.669%0.68881%0.809SS**  cis-146.7173.819.139.9-16.4000119
179S36.7Very low39.5Very low94 Ų94139.8 Ų139.866%0.65780%0.801SS**  trans55114.1139.258.90000122.3
180D39.2Very low38.8Very low169 Ų169136.4 Ų136.490%0.90480%0.799SS**  -171.6151.697.4-110.9-32.2000111.7
181E31.8Very low38.5Very low177 Ų177136.8 Ų136.883%0.82780%0.796SS**  trans-101.1-159.6-161.9-153.5-176.6100.700112.6
182P49.8Very low38.6Very low104 Ų104134.7 Ų134.768%0.67579%0.793SS**  -108.2160.1-102.235.7-21.3000115.4
183R39.5Very low38.5Very low245 Ų245134.5 Ų134.593%0.92579%0.79SS**  trans-157.4113.6140-150.6164.2177.7164.3-1.9113.4
184K31.6Very low38.4Very low208 Ų208134.4 Ų134.490%0.90479%0.789SS**  trans-63.1134.8158.3-69.6173.7175.5174.60108.9
185G35.5Very low38.7Very low75 Ų75136.5 Ų136.577%0.77379%0.79SS**  trans175.891.3173.100000113
186A38.2Very low39.3Very low94 Ų94135.2 Ų135.278%0.77778%0.782SS**  trans18.5116.8152.100000118.7G188A186-G188 PolarHBondContact O-N 2.74Å
187F35Very low39.8Very low220 Ų220137.1 Ų137.197%0.96578%0.78SS**  trans-7.685.4151.2-67.5-90.3000115E189F187-E189 PolarHBondContact O-N 3.48Å
188G37.6Very low40.3Very low65 Ų65141.2 Ų141.267%0.6778%0.781SS**  trans-83.393.6163.900000109.1A186 I190A186-G188 PolarHBondContact O-N 2.74Å; G188-I190 PolarHBondContact O-N 3.36Å
189E35.8Very low40.4Very low154 Ų154141.8 Ų141.872%0.7279%0.785SS**  trans3.2102.7142-152.1158130.500116.1F187 Q191F187-E189 PolarHBondContact O-N 3.48Å; E189-Q191 HydrophobicContact CG-CG 4.17Å; E189-Q191 PolarHBondContact OE1-NE2 2.92Å
190I43.3Very low40.9Very low166 Ų166143.4 Ų143.485%0.85178%0.784SS**  trans-99.196.8156-59177.5000106.3G188G188-I190 PolarHBondContact O-N 3.36Å
191Q33.1Very low41.4Very low146 Ų146142.5 Ų142.568%0.68278%0.779SS**  trans-68.4156.3163.4-87.4175.630.800111.3E189E189-Q191 HydrophobicContact CG-CG 4.17Å; E189-Q191 PolarHBondContact OE1-NE2 2.92Å
192A39.8Very low42.5Very low90 Ų90139.8 Ų139.874%0.74478%0.777SS**  trans84.6119.4165.200000114.7
193T40.4Very low42.3Very low120 Ų120143.2 Ų143.274%0.73678%0.781SS**  cis-157.9158.124.942.30000110.1I195T193-I195 PolarHBondContact O-N 3.45Å
194P45.8Very low42.6Very low120 Ų120139.1 Ų139.178%0.77977%0.772SS**  trans-71.5112.2-175.427.5-33.6000112.2T196P194-T196 PolarHBondContact O-N 3.32Å; P194-T196 VanDerWaalsContact O-N 3.1Å
195I46.7Very low43.6Very low158 Ų158135.9 Ų135.981%0.8176%0.755SS**  trans-69.7104.4165.8-58.2175.4000106.8T193T193-I195 PolarHBondContact O-N 3.45Å
196T52.1Low45.3Very low115 Ų115135.1 Ų135.171%0.70674%0.737SS**  trans-56.3123.5164.140.90000108.1P194 R198P194-T196 PolarHBondContact O-N 3.32Å; P194-T196 VanDerWaalsContact O-N 3.1Å; T196-R198 PolarHBondContact O-N 2.84Å
197P46.4Very low46.9Very low118 Ų118137.8 Ų137.877%0.76673%0.728SS**  trans-65.1111.5179.925.3-31.7000107.7P199P197-P199 VanDerWaalsContact O-CD 3.26Å; P197-P199 WeakPolarHBondContact O-CD 3.37Å
198R46Very low48Very low222 Ų222131.3 Ų131.384%0.83870%0.697SS**  trans-62.9120.3169.1-71-175177.3-176.7-0.5107.4T196 I200T196-R198 PolarHBondContact O-N 2.84Å; R198-I200 PolarHBondContact O-N 2.85Å
199P43.3Very low49.5Very low118 Ų118132.9 Ų132.977%0.76669%0.687SS**  trans-65.499.617026.5-31.5000107.8P197 L201P197-P199 VanDerWaalsContact O-CD 3.26Å; P197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-L201 PolarHBondContact O-N 3.35Å
200I48.9Very low51.3Low127 Ų127134.3 Ų134.365%0.65169%0.685SS**  trans-59.7108.8168.147.9108.4000107.8R198 R205R198-I200 PolarHBondContact O-N 2.85Å; I200-R205 VanDerWaalsContact CD1-NH2 3.28Å
201L48.5Very low52.5Low151 Ų151129.4 Ų129.479%0.79166%0.661SS**  trans-42121.3-175.4-66.9159.7000111.5P199 F203P199-L201 PolarHBondContact O-N 3.35Å; L201-F203 VanDerWaalsContact C-N 3.3Å; L201-F203 PolarHBondContact O-N 2.81Å
202P54.5Low54.2Low120 Ų120126.9 Ų126.978%0.77965%0.65SS**  trans-81.382.116932.4-30.8000108.4
203F46.3Very low55.8Low176 Ų176127.8 Ų127.877%0.77264%0.642SS**  trans-125.594.7165-163.9-105.3000109.5L201L201-F203 VanDerWaalsContact C-N 3.3Å; L201-F203 PolarHBondContact O-N 2.81Å
204Q45.4Very low57.5Low158 Ų158126.2 Ų126.274%0.73863%0.632SS**  trans63.461.4150.6-147.9-176.17.600117.6S206Q204-S206 PolarHBondContact O-N 3.26Å
205R53.6Low58.7Low141 Ų141124.5 Ų124.553%0.53262%0.619SS.*  trans-59.1119.4164.4-51.2-177.4-155.6-75.5-4.5109.6I200 E209I200-R205 VanDerWaalsContact CD1-NH2 3.28Å; R205-E209 WeakPolarHBondContact CA-OE2 3.38Å; R205-E209 VanDerWaalsContact CB-OE2 3.23Å; R205-E209 WeakPolarHBondContact CB-OE2 3.11Å
206S70.8Confident59.4Low59 Ų59122.9 Ų122.941%0.41361%0.612SS.*  trans-56.7144.5177.5-260000109.5Q204 W208 E209 R210Q204-S206 PolarHBondContact O-N 3.26Å; S206-W208 PolarHBondContact O-N 3.48Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 2.99Å; S206-R210 PolarHBondContact O-N 2.96Å
207W72.3Confident59.9Low150 Ų150127.5 Ų127.557%0.56862%0.616SS**Hα-helixtrans-56.5-25.8175.968.5-87.6000112.5R210 L211W207-R210 WeakPolarHBondContact O-CB 3.39Å; W207-R210 PolarHBondContact O-N 2.88Å; W207-L211 HydrophobicContact CE3-CD1 4.49Å; W207-L211 HydrophobicContact CZ3-CD1 4.06Å; W207-L211 WeakPolarHBondContact O-CB 3.37Å; W207-L211 PolarHBondContact O-N 3.33Å
208W57.2Low60.4Low84 Ų84128.2 Ų128.232%0.31861%0.614SS.*Hα-helixtrans-64.7-35.4169.6-78.5123.4000114.3E21 S206 R210 L211 M212E21-W208 HydrophobicContact CG-CZ2 4.22Å; E21-W208 VanDerWaalsContact OE1-CE2 3.27Å; E21-W208 WeakPolarHBondContact OE1-CZ2 3.28Å; E21-W208 PolarHBondContact OE1-NE1 3.34Å; E21-W208 WeakPolarHBondContact OE2-CZ2 3.18Å; S206-W208 PolarHBondContact O-N 3.48Å; W208-R210 VanDerWaalsContact C-N 3.34Å; W208-L211 HydrophobicContact CE3-CB 4.3Å; W208-L211 HydrophobicContact CE3-CD1 4.48Å; W208-L211 HydrophobicContact CE3-CD2 3.97Å; W208-L211 HydrophobicContact CE3-CG 4.48Å; W208-L211 HydrophobicContact CZ3-CD1 4.16Å; W208-L211 HydrophobicContact CZ3-CD2 3.78Å; W208-L211 HydrophobicContact CZ3-CG 4.45Å; W208-L211 PolarHBondContact O-N 2.99Å; W208-M212 HydrophobicContact CE3-CE 4.32Å; W208-M212 WeakPolarHBondContact O-CB 3.21Å; W208-M212 VanDerWaalsContact O-CG 3.27Å; W208-M212 WeakPolarHBondContact O-CG 3.32Å; W208-M212 PolarHBondContact O-N 3.3Å
209E69.7Low60.8Low98 Ų98118.8 Ų118.846%0.45859%0.585SS.*Hα-helixtrans-69.1-36.9172.8-64178.2169.700110.6R205 S206 L211 D213R205-E209 WeakPolarHBondContact CA-OE2 3.38Å; R205-E209 VanDerWaalsContact CB-OE2 3.23Å; R205-E209 WeakPolarHBondContact CB-OE2 3.11Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 2.99Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-D213 VanDerWaalsContact O-CB 3.27Å; E209-D213 WeakPolarHBondContact O-CB 3.32Å; E209-D213 PolarHBondContact O-N 3.47Å
210R72.7Confident61.2Low183 Ų183119.4 Ų119.469%0.69159%0.589SS**Hα-helixtrans-64.6-40.1171.1-77.6179.8167.3-178.7-3.2111.8S206 W207 W208 V214S206-R210 PolarHBondContact O-N 2.96Å; W207-R210 WeakPolarHBondContact O-CB 3.39Å; W207-R210 PolarHBondContact O-N 2.88Å; W208-R210 VanDerWaalsContact C-N 3.34Å; R210-V214 WeakPolarHBondContact O-CB 3.3Å; R210-V214 WeakPolarHBondContact O-CG2 3.31Å; R210-V214 PolarHBondContact O-N 2.93Å
211L68.1Low61.3Low64 Ų64117.6 Ų117.634%0.33559%0.588SS.*Hα-helixtrans-71.4-41.7178.4-171.7145000110.9W207 W208 E209 D213 V214 V215W207-L211 HydrophobicContact CE3-CD1 4.49Å; W207-L211 HydrophobicContact CZ3-CD1 4.06Å; W207-L211 WeakPolarHBondContact O-CB 3.37Å; W207-L211 PolarHBondContact O-N 3.33Å; W208-L211 HydrophobicContact CE3-CB 4.3Å; W208-L211 HydrophobicContact CE3-CD1 4.48Å; W208-L211 HydrophobicContact CE3-CD2 3.97Å; W208-L211 HydrophobicContact CE3-CG 4.48Å; W208-L211 HydrophobicContact CZ3-CD1 4.16Å; W208-L211 HydrophobicContact CZ3-CD2 3.78Å; W208-L211 HydrophobicContact CZ3-CG 4.45Å; W208-L211 PolarHBondContact O-N 2.99Å; E209-L211 VanDerWaalsContact C-N 3.34Å; L211-D213 VanDerWaalsContact C-N 3.35Å; L211-V214 PolarHBondContact O-N 3.31Å; L211-V215 HydrophobicContact CD2-CG2 3.68Å; L211-V215 HydrophobicContact CG-CG2 4.15Å; L211-V215 WeakPolarHBondContact O-CB 3.22Å; L211-V215 WeakPolarHBondContact O-CG2 3.05Å; L211-V215 PolarHBondContact O-N 3.33Å
212M69.5Low61Low93 Ų93120.1 Ų120.146%0.45859%0.589SS.*Hα-helixtrans-64.1-40.9173.1-71.7-53.7160.500111W208 V214 V215 L216W208-M212 HydrophobicContact CE3-CE 4.32Å; W208-M212 WeakPolarHBondContact O-CB 3.21Å; W208-M212 VanDerWaalsContact O-CG 3.27Å; W208-M212 WeakPolarHBondContact O-CG 3.32Å; W208-M212 PolarHBondContact O-N 3.3Å; M212-V214 PolarHBondContact O-N 3.34Å; M212-V215 PolarHBondContact O-N 3.17Å; M212-L216 HydrophobicContact CB-CD1 4.27Å; M212-L216 WeakPolarHBondContact O-CA 3.12Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 WeakPolarHBondContact O-CD1 3.26Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 3.1Å
213D73.1Confident60.9Low109 Ų109125.1 Ų125.158%0.58359%0.592SS**Hα-helixtrans-62-42.8171.9-89.1-10.1000111.2E209 L211 R217E209-D213 VanDerWaalsContact O-CB 3.27Å; E209-D213 WeakPolarHBondContact O-CB 3.32Å; E209-D213 PolarHBondContact O-N 3.47Å; L211-D213 VanDerWaalsContact C-N 3.35Å; D213-R217 WeakPolarHBondContact O-CA 3.42Å; D213-R217 WeakPolarHBondContact O-CB 3.46Å; D213-R217 PolarHBondContact O-N 3.23Å
214V75.7Confident61.1Low86 Ų86126.4 Ų126.452%0.52160%0.597SS.*Hα-helixtrans-66.3-44.3177.8167.30000111.3R210 L211 M212 R217 D218R210-V214 WeakPolarHBondContact O-CB 3.3Å; R210-V214 WeakPolarHBondContact O-CG2 3.31Å; R210-V214 PolarHBondContact O-N 2.93Å; L211-V214 PolarHBondContact O-N 3.31Å; M212-V214 PolarHBondContact O-N 3.34Å; V214-R217 PolarHBondContact O-N 2.91Å; V214-D218 PolarHBondContact O-N 3.41Å
215V72.7Confident61.3Low84 Ų84130.3 Ų130.351%0.50961%0.605SS.*Hα-helixtrans-72.1-37.8-178.7170.40000111.5L211 M212 D218 G219L211-V215 HydrophobicContact CD2-CG2 3.68Å; L211-V215 HydrophobicContact CG-CG2 4.15Å; L211-V215 WeakPolarHBondContact O-CB 3.22Å; L211-V215 WeakPolarHBondContact O-CG2 3.05Å; L211-V215 PolarHBondContact O-N 3.33Å; M212-V215 PolarHBondContact O-N 3.17Å; V215-D218 CarbonylContact O-C 3.59Å; V215-G219 PolarHBondContact O-N 3.47Å
216L61.2Low61.2Low125 Ų125131.5 Ų131.565%0.65462%0.622SS**Hα-helixtrans-77.2-29.3174.8-67.9165.8000111.8M212 G219M212-L216 HydrophobicContact CB-CD1 4.27Å; M212-L216 WeakPolarHBondContact O-CA 3.12Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 WeakPolarHBondContact O-CD1 3.26Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 3.1Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-G219 VanDerWaalsContact O-N 3.1Å
217R62.1Low60.5Low211 Ų211134 Ų13480%0.79664%0.639SS**Hα-helixtrans-73.6-30.6172.9179171.4143.9167.5-4.7112.3D213 V214 G219D213-R217 WeakPolarHBondContact O-CA 3.42Å; D213-R217 WeakPolarHBondContact O-CB 3.46Å; D213-R217 PolarHBondContact O-N 3.23Å; V214-R217 PolarHBondContact O-N 2.91Å; R217-G219 PolarHBondContact O-N 3.34Å
218D56.1Low59.6Low134 Ų134137.6 Ų137.672%0.71765%0.653SS**THydrogen-bonded Turntrans-8318.6165-85.4-13.4000112.9V214 V215 P220V214-D218 PolarHBondContact O-N 3.41Å; V215-D218 CarbonylContact O-C 3.59Å; D218-P220 WeakPolarHBondContact O-CD 3.43Å
219G54.7Low59.3Low23 Ų23142.2 Ų142.224%0.23768%0.684CS.*  trans-57.8118.4162.400000111.5V215 L216 R217 S221V215-G219 PolarHBondContact O-N 3.47Å; L216-G219 PolarHBondContact O-N 3.33Å; L216-G219 VanDerWaalsContact O-N 3.1Å; R217-G219 PolarHBondContact O-N 3.34Å; G219-S221 PolarHBondContact O-N 2.89Å
220P51.4Low58.7Low131 Ų131140.9 Ų140.985%0.85170%0.697SS**G310 helixtrans-66.320.2-171.3-23.934.5000118.2D218 Y222D218-P220 WeakPolarHBondContact O-CD 3.43Å; P220-Y222 PolarHBondContact O-N 3.34Å
221S52.7Low57.6Low90 Ų90139.2 Ų139.263%0.62970%0.701SS**G310 helixtrans-86.9-0.9-168.749.80000116.1G219G219-S221 PolarHBondContact O-N 2.89Å
222Y42.5Very low56.7Low204 Ų204142.6 Ų142.680%0.872%0.718SS**G310 helixtrans-107.127-174.1-57.5-71.7000116.9P220P220-Y222 PolarHBondContact O-N 3.34Å
223R52.1Low56Low224 Ų224144.6 Ų144.685%0.84574%0.741SS**SBendtrans-106.10.2178.9-70.6-164.5-178-96.20.6117.9
224F49.1Very low54.5Low203 Ų203148.3 Ų148.389%0.8975%0.752SS**SBendtrans-128.916.7-174.5-62.9-66.8000118
225R49.8Very low53.2Low241 Ų241153.4 Ų153.491%0.90979%0.791SS**SBendtrans-101.213.4179.9-143.1-178.284.1168.33.1117
226N51.5Low52.2Low165 Ų165156.9 Ų156.988%0.88281%0.805SS**SBendtrans-135.434.3-176.5-149.542.8000116.9
227S57.4Low51.7Low111 Ų111158.5 Ų158.578%0.77681%0.813SS**SBendtrans-134.712.8180-158.10000118.1
228R53.2Low51.2Low227 Ų227155.6 Ų155.686%0.85781%0.814SS**SBendtrans-139.33.4178.7-76.3-165.8179.4152.51119.8G230R228-G230 PolarHBondContact O-N 2.95Å
229D50.5Low50.9Low180 Ų180156.9 Ų156.996%0.96382%0.82SS**THydrogen-bonded Turntrans-80.912.9169.6-67.2-20.8000113.5
230G57.1Low50.6Low71 Ų71165.3 Ų165.373%0.73286%0.856SS**THydrogen-bonded Turntrans-99.10.9179.800000115.6R228R228-G230 PolarHBondContact O-N 2.95Å
231L49.4Very low50.6Low147 Ų147167.5 Ų167.577%0.7786%0.857SS**SBendtrans-130.2107.6-175.5-78.4169.1000111.7
232I49.5Very low50.4Low136 Ų136173.1 Ų173.170%0.69787%0.873SS**  trans92.760.1148.8-42.9151.1000114.5K234I232-K234 HydrophobicContact CG2-CB 3.57Å; I232-K234 PolarHBondContact O-N 2.76Å
233S54.9Low51.1Low134 Ų134170.7 Ų170.794%0.93788%0.878SS**  trans-69.680.4131162.50000107.3
234K40.8Very low51Low188 Ų188166.3 Ų166.382%0.81788%0.881SS**  trans-142.876.6172.6-144.3-166.5-169-1620109.3I232I232-K234 HydrophobicContact CG2-CB 3.57Å; I232-K234 PolarHBondContact O-N 2.76Å
235S48.6Very low51.1Low192 Ų192162.9 Ų162.9100%1.34388%0.88SS**  trans-170.40142.4-172.20000109.3

Retrieved 235 of 235 residues in 51.9 ms (Link to these results)