A0A060W466_ONCMY Loading...

PRA1 family protein

AlphaFold DB , UniProt , Accession A0A060W466, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110492770, Length 180 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
1M35.8Very low46.7Very low242 Ų242141.5 Ų141.5100%1.19273%0.732SS**  091.30-92.4166.3117.700107.4K3M1-K3 PolarHBondContact O-N 3.5Å
2E38.5Very low48.7Very low179 Ų179136.6 Ų136.684%0.83670%0.697SS**  trans-69.3112.3172.7-169.5176.5150.900107.2M4E2-M4 VanDerWaalsContact C-N 3.32Å; E2-M4 PolarHBondContact O-N 2.99Å
3K40.3Very low50.3Low197 Ų197133.2 Ų133.286%0.85769%0.687SS**  trans-66.2101.3167.1-76.6-177.8177.3-179.40105.3M1 D5M1-K3 PolarHBondContact O-N 3.5Å; K3-D5 PolarHBondContact O-N 3.22Å
4M41.6Very low51.1Low161 Ų161132.3 Ų132.379%0.79368%0.683SS**  trans-58.298.6162.1-84.6-174.8-106.500106.1E2 V6E2-M4 VanDerWaalsContact C-N 3.32Å; E2-M4 PolarHBondContact O-N 2.99Å; M4-V6 VanDerWaalsContact C-N 3.27Å; M4-V6 PolarHBondContact O-N 3Å
5D41.5Very low51.8Low138 Ų138130.1 Ų130.174%0.73867%0.673SS**  trans-69.493.6175.1-15212.6000105.7K3 Q7K3-D5 PolarHBondContact O-N 3.22Å; D5-Q7 PolarHBondContact O-N 3.25Å
6V43.5Very low52.7Low127 Ų127124.6 Ų124.677%0.7765%0.645SS**  trans-70.785179.9-179.20000106.5M4 P8M4-V6 VanDerWaalsContact C-N 3.27Å; M4-V6 PolarHBondContact O-N 3Å; V6-P8 WeakPolarHBondContact O-CD 3.43Å
7Q46.3Very low53.6Low156 Ų156118.1 Ų118.173%0.72961%0.611SS**PPolyproline II helixtrans-63.8124173.2-72.5-173.720.500108.2D5D5-Q7 PolarHBondContact O-N 3.25Å
8P46.9Very low54.2Low107 Ų107116.4 Ų116.470%0.69561%0.606SS**PPolyproline II helixtrans-61.2134173.825-31.5000108.3V6V6-P8 WeakPolarHBondContact O-CD 3.43Å
9P54.6Low54.3Low40 Ų40116.8 Ų116.826%0.2661%0.608SS.*PPolyproline II helixtrans-57.7130.6179.818.8-27.9000109.6I11 Q47 S48P9-I11 PolarHBondContact O-N 3.3Å; P9-Q47 HydrophobicContact CG-CB 4.16Å; P9-S48 PolarHBondContact O-OG 3.38Å
10P65.1Low54.1Low79 Ų79113.8 Ų113.851%0.51360%0.597SS.*PPolyproline II helixtrans-62.1138.3-175.824.5-33.5000110R12P10-R12 PolarHBondContact O-N 3.46Å
11I59.6Low53.7Low130 Ų130112 Ų11267%0.66759%0.594SS**PPolyproline II helixtrans-58.5124.6176.4-61.9173.7000108P9P9-I11 PolarHBondContact O-N 3.3Å
12R70.9Confident54.3Low83 Ų83102.3 Ų102.331%0.31355%0.553SS.*PPolyproline II helixtrans-86.1146.6179.5-56-58.1178.8172.3-4.2109.6P10 Y45 Y46 N49P10-R12 PolarHBondContact O-N 3.46Å; R12-Y45 HydrophobicContact CG-CE1 4.42Å; R12-Y46 HydrophobicContact CB-CD1 4.35Å; R12-Y46 HydrophobicContact CB-CE1 4.44Å; R12-Y46 HydrophobicContact CG-CD1 4.35Å; R12-Y46 HydrophobicContact CG-CE1 4.5Å; R12-N49 PolarHBondContact N-OD1 3.19Å; R12-N49 VanDerWaalsContact N-OD1 3.09Å; R12-N49 PolarHBondContact O-ND2 3.48Å
13T69.4Low55.2Low92 Ų9297 Ų9756%0.56453%0.528SS*.PPolyproline II helixtrans-57144.2179.753.30000110.4D15 D16 F17T13-D15 PolarHBondContact O-N 3.39Å; T13-D16 PolarHBondContact O-N 2.81Å; T13-D16 VanDerWaalsContact O-N 3.1Å; T13-D16 PolarHBondContact OG1-N 3.48Å; T13-F17 PolarHBondContact O-N 2.9Å
14L61.7Low56.2Low121 Ų12193 Ų9363%0.63451%0.511SS*.Hα-helixtrans-60.7-29.1176-69.2178.7000111.5F17 V18L14-F17 PolarHBondContact O-N 3.32Å; L14-V18 PolarHBondContact O-N 3.44Å
15D61.8Low57.2Low99 Ų9987.1 Ų87.153%0.52949%0.488SS..Iπ-helixtrans-59.8-51172.2-68.1-45.9000111.3T13 F17 L19 S20T13-D15 PolarHBondContact O-N 3.39Å; D15-F17 VanDerWaalsContact C-N 3.34Å; D15-F17 PolarHBondContact O-N 3.4Å; D15-L19 CarbonylContact O-C 3.51Å; D15-L19 WeakPolarHBondContact O-CA 3.18Å; D15-L19 PolarHBondContact O-N 3.08Å; D15-L19 WeakPolarHBondContact OD1-CD1 3.19Å; D15-S20 WeakPolarHBondContact O-CA 3.43Å; D15-S20 WeakPolarHBondContact O-CB 3.47Å; D15-S20 PolarHBondContact O-N 2.97Å
16D65.9Low58.1Low42 Ų4286.6 Ų86.623%0.22549%0.489CS..Iπ-helixtrans-61.9-44.6174-173.834.7000110.6T13 V18 Y46 R143T13-D16 PolarHBondContact O-N 2.81Å; T13-D16 VanDerWaalsContact O-N 3.1Å; T13-D16 PolarHBondContact OG1-N 3.48Å; D16-V18 PolarHBondContact O-N 3.44Å; D16-Y46 WeakPolarHBondContact OD2-CE1 3.33Å; D16-Y46 PolarHBondContact OD2-OH 3.4Å; D16-R143 PolarHBondContact O-NH1 2.95Å; D16-R143 PolarHBondContact O-NH2 3.21Å; D16-R143 IonicContact OD1-NH2 3.14Å; D16-R143 PolarHBondContact OD1-NH2 2.99Å; D16-R143 VanDerWaalsContact OD1-NH2 3.14Å
17F67.8Low59Low15 Ų1582 Ų827%0.06646%0.462CS..Iπ-helixtrans-67.2-34.4-174.7-172.4-120.8000115T13 L14 D15 Y46 N49 Y50 H139 R143T13-F17 PolarHBondContact O-N 2.9Å; L14-F17 PolarHBondContact O-N 3.32Å; D15-F17 VanDerWaalsContact C-N 3.34Å; D15-F17 PolarHBondContact O-N 3.4Å; F17-Y46 AromaticContact CD2-CD1 3.58Å; F17-Y46 HydrophobicContact CD2-CD1 3.58Å; F17-Y46 HydrophobicContact CD2-CE1 4.28Å; F17-Y46 AromaticContact CD2-CG 3.87Å; F17-Y46 HydrophobicContact CD2-CG 3.87Å; F17-Y46 HydrophobicContact CE2-CD1 4.29Å; F17-Y46 HydrophobicContact CE2-CG 4.13Å; F17-N49 WeakPolarHBondContact CB-ND2 3.42Å; F17-N49 HydrophobicContact CD1-CB 4.01Å; F17-N49 HydrophobicContact CD2-CB 3.58Å; F17-N49 HydrophobicContact CE1-CB 4.04Å; F17-N49 HydrophobicContact CE2-CB 3.58Å; F17-N49 HydrophobicContact CG-CB 3.8Å; F17-N49 HydrophobicContact CZ-CB 3.83Å; F17-Y50 AromaticContact CE2-CD1 3.93Å; F17-Y50 HydrophobicContact CE2-CD1 3.93Å; F17-Y50 AromaticContact CE2-CE1 3.73Å; F17-Y50 HydrophobicContact CE2-CE1 3.73Å; F17-Y50 AromaticContact CZ-CD1 3.81Å; F17-Y50 HydrophobicContact CZ-CD1 3.81Å; F17-Y50 AromaticContact CZ-CE1 3.89Å; F17-Y50 HydrophobicContact CZ-CE1 3.89Å; F17-H139 AromaticContact CD2-CE1 3.91Å; F17-H139 AromaticContact CE2-CE1 3.58Å; F17-H139 AromaticContact CE2-ND1 3.95Å; F17-H139 PolarHBondContact O-NE2 2.83Å; F17-R143 VanDerWaalsContact C-NH1 3.26Å; F17-R143 PolarHBondContact O-NH1 3.01Å
18V64Low59.9Low87 Ų8778.1 Ų78.153%0.52745%0.447SS..Iπ-helixtrans-129-38.9-171.9-174.40000113.6L14 D16L14-V18 PolarHBondContact O-N 3.44Å; D16-V18 PolarHBondContact O-N 3.44Å
19L56.7Low60.8Low124 Ų12479.2 Ų79.265%0.64945%0.445SS*.Iπ-helixtrans-106.2-21.9-163-63.3152.8000115.5D15 S21D15-L19 CarbonylContact O-C 3.51Å; D15-L19 WeakPolarHBondContact O-CA 3.18Å; D15-L19 PolarHBondContact O-N 3.08Å; D15-L19 WeakPolarHBondContact OD1-CD1 3.19Å; L19-S21 PolarHBondContact O-N 2.85Å
20S49.6Very low61.5Low56 Ų5688.6 Ų88.639%0.39248%0.476SS..SBendtrans-85.1103.4-173.3-177.90000109.7D15 A22D15-S20 WeakPolarHBondContact O-CA 3.43Å; D15-S20 WeakPolarHBondContact O-CB 3.47Å; D15-S20 PolarHBondContact O-N 2.97Å; S20-A22 PolarHBondContact O-N 2.94Å
21S46.1Very low62.1Low76 Ų7688.4 Ų88.453%0.53147%0.47SS..  trans34.651.2163.359.20000113.3L19 Q23L19-S21 PolarHBondContact O-N 2.85Å; S21-Q23 PolarHBondContact O-N 3.35Å
22A49.3Very low62.9Low39 Ų3987.9 Ų87.932%0.32247%0.468SS..  trans-62.8100.8-171.300000108.6S20 F24S20-A22 PolarHBondContact O-N 2.94Å; A22-F24 HydrophobicContact CB-CD1 4.38Å; A22-F24 HydrophobicContact CB-CD2 3.49Å; A22-F24 VanDerWaalsContact CB-CD2 3.49Å; A22-F24 HydrophobicContact CB-CE1 4.05Å; A22-F24 HydrophobicContact CB-CE2 3.08Å; A22-F24 HydrophobicContact CB-CG 4.16Å; A22-F24 HydrophobicContact CB-CZ 3.4Å; A22-F24 VanDerWaalsContact CB-CZ 3.4Å; A22-F24 WeakPolarHBondContact O-CD2 3.14Å; A22-F24 PolarHBondContact O-N 3.45Å
23Q57.7Low63.2Low69 Ų6990.8 Ų90.832%0.32249%0.485SS..  trans-72.680.1171.3-65.8-176.2400105.8S21 L144 K148S21-Q23 PolarHBondContact O-N 3.35Å; Q23-L144 HydrophobicContact CB-CB 4.42Å; Q23-L144 WeakPolarHBondContact O-CB 3.5Å; Q23-L144 WeakPolarHBondContact O-CD1 3.24Å; Q23-L144 PolarHBondContact O-N 3.31Å; Q23-K148 VanDerWaalsContact CD-CG 3.49Å; Q23-K148 VanDerWaalsContact OE1-CG 3.27Å
24F59.7Low63.4Low111 Ų11192.9 Ų92.949%0.48748%0.483SS..BIsolated β-bridgetrans-81.6125.3168.7-65.7-58.5000107A22 V142A22-F24 HydrophobicContact CB-CD1 4.38Å; A22-F24 HydrophobicContact CB-CD2 3.49Å; A22-F24 VanDerWaalsContact CB-CD2 3.49Å; A22-F24 HydrophobicContact CB-CE1 4.05Å; A22-F24 HydrophobicContact CB-CE2 3.08Å; A22-F24 HydrophobicContact CB-CG 4.16Å; A22-F24 HydrophobicContact CB-CZ 3.4Å; A22-F24 VanDerWaalsContact CB-CZ 3.4Å; A22-F24 WeakPolarHBondContact O-CD2 3.14Å; A22-F24 PolarHBondContact O-N 3.45Å; F24-V142 WeakPolarHBondContact CA-O 3.37Å; F24-V142 HydrophobicContact CB-CG1 3.56Å; F24-V142 HydrophobicContact CD1-CB 4.15Å; F24-V142 HydrophobicContact CD1-CG1 3.58Å; F24-V142 HydrophobicContact CG-CG1 3.94Å
25A64Low64Low38 Ų3891.7 Ų91.731%0.31447%0.47SS..  trans-139.8147.7172.100000109.2V142 L144A25-V142 PolarHBondContact N-O 3.4Å; A25-L144 VanDerWaalsContact CA-CD1 3.42Å; A25-L144 HydrophobicContact CB-CD1 3.15Å; A25-L144 HydrophobicContact CB-CD2 4.11Å; A25-L144 HydrophobicContact CB-CG 4.29Å
26V60.5Low64.8Low127 Ų12791 Ų9177%0.7747%0.466SS*.  trans-59131.6-178.1-176.60000108.7D28V26-D28 PolarHBondContact O-N 2.8Å
27P61.7Low65.4Low30 Ų3092.5 Ų92.520%0.19547%0.474CS..  trans-54.1137.3174.420.5-31000112.3I29 W35 R38P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.98Å; P27-W35 HydrophobicContact CB-CG 4.28Å; P27-R38 VanDerWaalsContact CB-NH2 3.25Å
28D64.6Low65.8Low76 Ų7693.4 Ų93.441%0.40648%0.477SS..  trans-78.389.4170.8-172.54.2000108.4V26 R30 N31V26-D28 PolarHBondContact O-N 2.8Å; D28-R30 PolarHBondContact O-N 2.72Å; D28-R30 VanDerWaalsContact O-N 3.14Å; D28-R30 WeakPolarHBondContact OD1-CB 3.35Å; D28-R30 PolarHBondContact OD1-N 3.43Å; D28-N31 PolarHBondContact O-N 3.32Å
29I65.7Low66.4Low129 Ų12990.1 Ų90.166%0.66246%0.456SS*.THydrogen-bonded Turntrans-63-18.5-177.2-51.4173.5000111P27 N31 L32P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.98Å; I29-N31 VanDerWaalsContact C-N 3.3Å; I29-N31 PolarHBondContact O-N 2.69Å; I29-L32 WeakPolarHBondContact O-CD1 3.34Å
30R69.3Low67.5Low238 Ų23887.6 Ų87.690%0.89844%0.443SS*.THydrogen-bonded Turntrans-72-21.9179.4-65.9177.2152171.9-6.6113.2D28D28-R30 PolarHBondContact O-N 2.72Å; D28-R30 VanDerWaalsContact O-N 3.14Å; D28-R30 WeakPolarHBondContact OD1-CB 3.35Å; D28-R30 PolarHBondContact OD1-N 3.43Å
31N77.6Confident68.8Low75 Ų7589.4 Ų89.440%0.40145%0.448SS..  trans-126.484.4179.3-162.7-43.7000111D28 I29 E33 R34 W35D28-N31 PolarHBondContact O-N 3.32Å; I29-N31 VanDerWaalsContact C-N 3.3Å; I29-N31 PolarHBondContact O-N 2.69Å; N31-E33 VanDerWaalsContact C-N 3.27Å; N31-E33 PolarHBondContact O-N 2.95Å; N31-R34 HydrophobicContact CB-CB 4.21Å; N31-R34 PolarHBondContact O-N 3.49Å; N31-R34 PolarHBondContact OD1-N 2.93Å; N31-R34 VanDerWaalsContact OD1-N 3.16Å; N31-W35 PolarHBondContact O-N 3.3Å
32L76.6Confident70.5Confident119 Ų11985.9 Ų85.962%0.62342%0.424SS*.Hα-helixtrans-60.4-34.3-176.4-74.887.4000112.9I29 W35 N36I29-L32 WeakPolarHBondContact O-CD1 3.34Å; L32-W35 PolarHBondContact O-N 2.74Å; L32-N36 WeakPolarHBondContact O-CB 3.4Å; L32-N36 PolarHBondContact O-N 3.33Å
33E77.4Confident72Confident143 Ų14386.7 Ų86.767%0.66842%0.422SS*.Hα-helixtrans-65.1-47.5178.9-172.6-175.7168.900111N31 W35 N36 N37N31-E33 VanDerWaalsContact C-N 3.27Å; N31-E33 PolarHBondContact O-N 2.95Å; E33-W35 VanDerWaalsContact C-N 3.29Å; E33-W35 PolarHBondContact O-N 3.05Å; E33-N36 PolarHBondContact O-N 3.47Å; E33-N37 WeakPolarHBondContact O-CB 3.24Å; E33-N37 VanDerWaalsContact O-CG 3.3Å; E33-N37 PolarHBondContact O-N 2.89Å; E33-N37 PolarHBondContact O-ND2 2.79Å
34R74.5Confident73Confident137 Ų13788.3 Ų88.352%0.51743%0.432SS..Hα-helixtrans-62.1-39.7176.1-167.3-174.5-136.9159.517.9111.7N31 R38 K150N31-R34 HydrophobicContact CB-CB 4.21Å; N31-R34 PolarHBondContact O-N 3.49Å; N31-R34 PolarHBondContact OD1-N 2.93Å; N31-R34 VanDerWaalsContact OD1-N 3.16Å; R34-R38 PolarHBondContact O-N 3.43Å; R34-K150 VanDerWaalsContact NH2-NZ 3.12Å
35W74.6Confident73.5Confident95 Ų9585.7 Ų85.736%0.3642%0.419SS..Hα-helixtrans-65.1-44.7177.9-179.551.2000111.9P27 N31 L32 E33 R38 I39 S141P27-W35 HydrophobicContact CB-CG 4.28Å; N31-W35 PolarHBondContact O-N 3.3Å; L32-W35 PolarHBondContact O-N 2.74Å; E33-W35 VanDerWaalsContact C-N 3.29Å; E33-W35 PolarHBondContact O-N 3.05Å; W35-R38 WeakPolarHBondContact O-CB 3.32Å; W35-R38 PolarHBondContact O-N 3.28Å; W35-I39 HydrophobicContact CD2-CD1 3.96Å; W35-I39 HydrophobicContact CE3-CD1 4.48Å; W35-I39 HydrophobicContact CG-CD1 4.41Å; W35-I39 HydrophobicContact CH2-CD1 4.29Å; W35-I39 HydrophobicContact CZ2-CD1 3.74Å; W35-I39 WeakPolarHBondContact O-CG1 3.4Å; W35-I39 PolarHBondContact O-N 2.89Å; W35-S141 PolarHBondContact NE1-OG 3.07Å
36N77.6Confident74Confident84 Ų8484.1 Ų84.145%0.44941%0.406SS..Hα-helixtrans-62.2-46175.8-172.932.6000111.7L32 E33 R38 I39 I40L32-N36 WeakPolarHBondContact O-CB 3.4Å; L32-N36 PolarHBondContact O-N 3.33Å; E33-N36 PolarHBondContact O-N 3.47Å; N36-R38 PolarHBondContact O-N 3.34Å; N36-I39 PolarHBondContact O-N 3.31Å; N36-I39 VanDerWaalsContact O-N 3.13Å; N36-I40 WeakPolarHBondContact O-CG1 3.43Å; N36-I40 PolarHBondContact O-N 2.88Å
37N78.3Confident74.8Confident75 Ų7582.9 Ų82.940%0.40139%0.391SS..Hα-helixtrans-59-35.4175.6-72.6-21.7000111.8E33 N41E33-N37 WeakPolarHBondContact O-CB 3.24Å; E33-N37 VanDerWaalsContact O-CG 3.3Å; E33-N37 PolarHBondContact O-N 2.89Å; E33-N37 PolarHBondContact O-ND2 2.79Å; N37-N41 WeakPolarHBondContact O-CB 3.22Å; N37-N41 VanDerWaalsContact O-CG 3.31Å; N37-N41 PolarHBondContact O-N 3.35Å; N37-N41 VanDerWaalsContact O-N 3.11Å; N37-N41 PolarHBondContact O-ND2 3.39Å
38R75.6Confident75.7Confident34 Ų3482.5 Ų82.513%0.12839%0.39CS..Hα-helixtrans-65.4-47.4174.7-173.5171.473.5-169.511.5111.8P27 R34 W35 N36 N41 N42 S141P27-R38 VanDerWaalsContact CB-NH2 3.25Å; R34-R38 PolarHBondContact O-N 3.43Å; W35-R38 WeakPolarHBondContact O-CB 3.32Å; W35-R38 PolarHBondContact O-N 3.28Å; N36-R38 PolarHBondContact O-N 3.34Å; R38-N41 PolarHBondContact O-N 3.49Å; R38-N42 WeakPolarHBondContact O-CB 3.46Å; R38-N42 PolarHBondContact O-N 2.98Å; R38-N42 PolarHBondContact O-ND2 3.37Å; R38-S141 PolarHBondContact NE-O 3.33Å; R38-S141 PolarHBondContact NH2-O 2.87Å
39I78.1Confident76.6Confident17 Ų1779.2 Ų79.29%0.08737%0.372CS..Hα-helixtrans-59.2-51.1178.6-67.9165.1000110.2W35 N36 N41 N42 L43 L137 A140W35-I39 HydrophobicContact CD2-CD1 3.96Å; W35-I39 HydrophobicContact CE3-CD1 4.48Å; W35-I39 HydrophobicContact CG-CD1 4.41Å; W35-I39 HydrophobicContact CH2-CD1 4.29Å; W35-I39 HydrophobicContact CZ2-CD1 3.74Å; W35-I39 WeakPolarHBondContact O-CG1 3.4Å; W35-I39 PolarHBondContact O-N 2.89Å; N36-I39 PolarHBondContact O-N 3.31Å; N36-I39 VanDerWaalsContact O-N 3.13Å; I39-N41 PolarHBondContact O-N 3.46Å; I39-N42 PolarHBondContact O-N 3.3Å; I39-L43 HydrophobicContact CG2-CD1 3.73Å; I39-L43 HydrophobicContact CG2-CG 4.15Å; I39-L43 WeakPolarHBondContact O-CB 3.34Å; I39-L43 VanDerWaalsContact O-CG 3.31Å; I39-L43 WeakPolarHBondContact O-CG 3.3Å; I39-L43 PolarHBondContact O-N 3.16Å; I39-L137 HydrophobicContact CG2-CD2 4.19Å; I39-A140 HydrophobicContact CG2-CB 4.2Å
40I79.9Confident77.6Confident71 Ų7173.7 Ų73.736%0.36434%0.343SS..Hα-helixtrans-59.8-47.6-177.9-66169.4000111.1N36 N42 L43 L44N36-I40 WeakPolarHBondContact O-CG1 3.43Å; N36-I40 PolarHBondContact O-N 2.88Å; I40-N42 VanDerWaalsContact C-N 3.3Å; I40-N42 PolarHBondContact O-N 2.94Å; I40-L43 PolarHBondContact O-N 3.26Å; I40-L44 HydrophobicContact CG2-CD1 3.94Å; I40-L44 HydrophobicContact CG2-CG 4.43Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 2.98Å
41N76.5Confident78.4Confident94 Ų9468.4 Ų68.450%0.50333%0.327SS..Hα-helixtrans-63.2-37179.7-77.8-50.9000112.6N37 R38 I39 Y45N37-N41 WeakPolarHBondContact O-CB 3.22Å; N37-N41 VanDerWaalsContact O-CG 3.31Å; N37-N41 PolarHBondContact O-N 3.35Å; N37-N41 VanDerWaalsContact O-N 3.11Å; N37-N41 PolarHBondContact O-ND2 3.39Å; R38-N41 PolarHBondContact O-N 3.49Å; I39-N41 PolarHBondContact O-N 3.46Å; N41-Y45 VanDerWaalsContact O-CB 3.29Å; N41-Y45 WeakPolarHBondContact O-CB 3.43Å; N41-Y45 PolarHBondContact O-N 3.05Å; N41-Y45 VanDerWaalsContact O-N 3.08Å
42N81.3Confident78.8Confident3 Ų368.3 Ų68.32%0.01633%0.329CS..Hα-helixtrans-71.4-40.4176.1-74.8-23.4000111.8R38 I39 I40 Y45 Y46 Y50 A140 R143R38-N42 WeakPolarHBondContact O-CB 3.46Å; R38-N42 PolarHBondContact O-N 2.98Å; R38-N42 PolarHBondContact O-ND2 3.37Å; I39-N42 PolarHBondContact O-N 3.3Å; I40-N42 VanDerWaalsContact C-N 3.3Å; I40-N42 PolarHBondContact O-N 2.94Å; N42-Y45 PolarHBondContact O-N 3.29Å; N42-Y46 WeakPolarHBondContact O-CD2 3.28Å; N42-Y46 PolarHBondContact O-N 2.86Å; N42-Y50 WeakPolarHBondContact O-CE2 3.32Å; N42-A140 HydrophobicContact CB-CB 4.06Å; N42-A140 PolarHBondContact ND2-O 2.68Å; N42-R143 PolarHBondContact ND2-O 3.37Å
43L81.1Confident79.2Confident55 Ų5564.5 Ų64.529%0.28831%0.312SS..Hα-helixtrans-58.6-47.1174.8-75.3174.7000111.7I39 I40 Q47 Y50 I136 L137 A140I39-L43 HydrophobicContact CG2-CD1 3.73Å; I39-L43 HydrophobicContact CG2-CG 4.15Å; I39-L43 WeakPolarHBondContact O-CB 3.34Å; I39-L43 VanDerWaalsContact O-CG 3.31Å; I39-L43 WeakPolarHBondContact O-CG 3.3Å; I39-L43 PolarHBondContact O-N 3.16Å; I40-L43 PolarHBondContact O-N 3.26Å; L43-Q47 VanDerWaalsContact O-CA 3.24Å; L43-Q47 WeakPolarHBondContact O-CA 3.19Å; L43-Q47 WeakPolarHBondContact O-CB 3.46Å; L43-Q47 PolarHBondContact O-N 3.47Å; L43-Y50 HydrophobicContact CD2-CD2 4.08Å; L43-Y50 HydrophobicContact CD2-CE2 4Å; L43-I136 HydrophobicContact CD2-CG2 3.52Å; L43-L137 HydrophobicContact CD1-CD2 4.4Å; L43-A140 HydrophobicContact CD2-CB 4.02Å; L43-A140 HydrophobicContact CG-CB 4.04Å
44L78.9Confident79.7Confident103 Ų10359.9 Ų59.954%0.53929%0.29SS..Hα-helixtrans-66.5-39.3178.7-68.6173.2000112.1I40I40-L44 HydrophobicContact CG2-CD1 3.94Å; I40-L44 HydrophobicContact CG2-CG 4.43Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 2.98Å
45Y69.9Low80.4Confident56 Ų5657.1 Ų57.122%0.2229%0.285CS..Hα-helixtrans-73.5-37.7-176.4-173.1-97000113.8R12 N41 N42 R145R12-Y45 HydrophobicContact CG-CE1 4.42Å; N41-Y45 VanDerWaalsContact O-CB 3.29Å; N41-Y45 WeakPolarHBondContact O-CB 3.43Å; N41-Y45 PolarHBondContact O-N 3.05Å; N41-Y45 VanDerWaalsContact O-N 3.08Å; N42-Y45 PolarHBondContact O-N 3.29Å; Y45-R145 VanDerWaalsContact CG-NH1 3.27Å
46Y75.4Confident81.1Confident6 Ų656.3 Ų56.32%0.02429%0.29CS..THydrogen-bonded Turntrans-104.322.2178.3-60.6-74.5000112.8R12 D16 F17 N42 S48 N49 Y50 R143R12-Y46 HydrophobicContact CB-CD1 4.35Å; R12-Y46 HydrophobicContact CB-CE1 4.44Å; R12-Y46 HydrophobicContact CG-CD1 4.35Å; R12-Y46 HydrophobicContact CG-CE1 4.5Å; D16-Y46 WeakPolarHBondContact OD2-CE1 3.33Å; D16-Y46 PolarHBondContact OD2-OH 3.4Å; F17-Y46 AromaticContact CD2-CD1 3.58Å; F17-Y46 HydrophobicContact CD2-CD1 3.58Å; F17-Y46 HydrophobicContact CD2-CE1 4.28Å; F17-Y46 AromaticContact CD2-CG 3.87Å; F17-Y46 HydrophobicContact CD2-CG 3.87Å; F17-Y46 HydrophobicContact CE2-CD1 4.29Å; F17-Y46 HydrophobicContact CE2-CG 4.13Å; N42-Y46 WeakPolarHBondContact O-CD2 3.28Å; N42-Y46 PolarHBondContact O-N 2.86Å; Y46-S48 VanDerWaalsContact C-N 3.29Å; Y46-S48 PolarHBondContact O-N 3.45Å; Y46-N49 PolarHBondContact O-N 2.96Å; Y46-Y50 VanDerWaalsContact O-CD2 3.24Å; Y46-Y50 WeakPolarHBondContact O-CD2 3.49Å; Y46-Y50 PolarHBondContact O-N 3.16Å; Y46-R143 VanDerWaalsContact CE2-CD 3.47Å; Y46-R143 PolarHBondContact OH-NE 3.16Å; Y46-R143 VanDerWaalsContact OH-NE 3.08Å; Y46-R143 PolarHBondContact OH-NH2 2.69Å
47Q77.4Confident81.5Confident100 Ų10054.2 Ų54.247%0.46728%0.279SS..Hα-helixtrans-48.9-49.6-174.5-179.1-178.2-32.500112.4P9 L43 Y50 F51P9-Q47 HydrophobicContact CG-CB 4.16Å; L43-Q47 VanDerWaalsContact O-CA 3.24Å; L43-Q47 WeakPolarHBondContact O-CA 3.19Å; L43-Q47 WeakPolarHBondContact O-CB 3.46Å; L43-Q47 PolarHBondContact O-N 3.47Å; Q47-Y50 PolarHBondContact O-N 3.41Å; Q47-F51 WeakPolarHBondContact O-CB 3.49Å; Q47-F51 PolarHBondContact O-N 2.97Å
48S79.1Confident81.9Confident23 Ų2352.4 Ų52.416%0.16127%0.269CS..Hα-helixtrans-65.6-39.8-179.8-530000112.2P9 Y46 F51 V52P9-S48 PolarHBondContact O-OG 3.38Å; Y46-S48 VanDerWaalsContact C-N 3.29Å; Y46-S48 PolarHBondContact O-N 3.45Å; S48-F51 PolarHBondContact O-N 3.21Å; S48-V52 WeakPolarHBondContact O-CG2 3.48Å; S48-V52 PolarHBondContact O-N 3.42Å
49N84.7Confident82.5Confident7 Ų752.9 Ų52.94%0.03729%0.285CS..Hα-helixtrans-67-42.1176.3-65.265.7000111.8R12 F17 Y46 F51 V52 S53R12-N49 PolarHBondContact N-OD1 3.19Å; R12-N49 VanDerWaalsContact N-OD1 3.09Å; R12-N49 PolarHBondContact O-ND2 3.48Å; F17-N49 WeakPolarHBondContact CB-ND2 3.42Å; F17-N49 HydrophobicContact CD1-CB 4.01Å; F17-N49 HydrophobicContact CD2-CB 3.58Å; F17-N49 HydrophobicContact CE1-CB 4.04Å; F17-N49 HydrophobicContact CE2-CB 3.58Å; F17-N49 HydrophobicContact CG-CB 3.8Å; F17-N49 HydrophobicContact CZ-CB 3.83Å; Y46-N49 PolarHBondContact O-N 2.96Å; N49-F51 VanDerWaalsContact C-N 3.32Å; N49-F51 PolarHBondContact O-N 3.35Å; N49-V52 PolarHBondContact O-N 2.88Å; N49-S53 WeakPolarHBondContact O-CB 3.26Å; N49-S53 PolarHBondContact O-N 3.42Å; N49-S53 PolarHBondContact O-OG 3.46Å; N49-S53 VanDerWaalsContact O-OG 3.06Å
50Y86Confident82.9Confident12 Ų1256.7 Ų56.75%0.04730%0.304CS..Hα-helixtrans-63.6-38.7174.3-69.1-48.3000112.3F17 N42 L43 Y46 Q47 S53 F54 I136 H139 A140F17-Y50 AromaticContact CE2-CD1 3.93Å; F17-Y50 HydrophobicContact CE2-CD1 3.93Å; F17-Y50 AromaticContact CE2-CE1 3.73Å; F17-Y50 HydrophobicContact CE2-CE1 3.73Å; F17-Y50 AromaticContact CZ-CD1 3.81Å; F17-Y50 HydrophobicContact CZ-CD1 3.81Å; F17-Y50 AromaticContact CZ-CE1 3.89Å; F17-Y50 HydrophobicContact CZ-CE1 3.89Å; N42-Y50 WeakPolarHBondContact O-CE2 3.32Å; L43-Y50 HydrophobicContact CD2-CD2 4.08Å; L43-Y50 HydrophobicContact CD2-CE2 4Å; Y46-Y50 VanDerWaalsContact O-CD2 3.24Å; Y46-Y50 WeakPolarHBondContact O-CD2 3.49Å; Y46-Y50 PolarHBondContact O-N 3.16Å; Q47-Y50 PolarHBondContact O-N 3.41Å; Y50-S53 PolarHBondContact O-N 2.85Å; Y50-F54 VanDerWaalsContact O-CB 3.27Å; Y50-F54 WeakPolarHBondContact O-CB 3.17Å; Y50-F54 PolarHBondContact O-N 3.19Å; Y50-I136 HydrophobicContact CD1-CB 4.07Å; Y50-I136 HydrophobicContact CD1-CG1 3.73Å; Y50-I136 HydrophobicContact CD1-CG2 3.63Å; Y50-I136 HydrophobicContact CD2-CG2 4.11Å; Y50-I136 HydrophobicContact CE1-CB 4.43Å; Y50-I136 HydrophobicContact CE1-CG1 4.48Å; Y50-I136 HydrophobicContact CE1-CG2 3.97Å; Y50-I136 HydrophobicContact CE2-CG2 4.43Å; Y50-I136 HydrophobicContact CG-CG1 4.22Å; Y50-I136 HydrophobicContact CG-CG2 3.7Å; Y50-H139 HydrophobicContact CE1-CB 4.16Å; Y50-H139 AromaticContact CE1-ND1 3.27Å; Y50-H139 VanDerWaalsContact CE1-ND1 3.27Å; Y50-H139 WeakPolarHBondContact CE1-ND1 3.35Å; Y50-H139 AromaticContact CZ-ND1 3.44Å; Y50-H139 PolarHBondContact OH-ND1 3.31Å; Y50-A140 WeakPolarHBondContact OH-CA 3.35Å; Y50-A140 PolarHBondContact OH-N 2.92Å
51F85.6Confident83.2Confident127 Ų12754.5 Ų54.556%0.55729%0.294SS*.Hα-helixtrans-63.6-46.1175.9-175.9-108.7000111.7Q47 S48 N49 F54 L55Q47-F51 WeakPolarHBondContact O-CB 3.49Å; Q47-F51 PolarHBondContact O-N 2.97Å; S48-F51 PolarHBondContact O-N 3.21Å; N49-F51 VanDerWaalsContact C-N 3.32Å; N49-F51 PolarHBondContact O-N 3.35Å; F51-F54 WeakPolarHBondContact O-CB 3.31Å; F51-F54 PolarHBondContact O-N 3.46Å; F51-L55 HydrophobicContact CD1-CD1 3.96Å; F51-L55 HydrophobicContact CE1-CD1 3.4Å; F51-L55 HydrophobicContact CE1-CG 4.17Å; F51-L55 HydrophobicContact CE2-CD1 4.41Å; F51-L55 HydrophobicContact CE2-CG 4.39Å; F51-L55 HydrophobicContact CZ-CD1 3.66Å; F51-L55 HydrophobicContact CZ-CD2 4.35Å; F51-L55 HydrophobicContact CZ-CG 4.1Å; F51-L55 WeakPolarHBondContact O-CG 3.37Å; F51-L55 PolarHBondContact O-N 3.32Å
52V86.3Confident83.7Confident73 Ų7350.5 Ų50.544%0.44228%0.275SS..Hα-helixtrans-62.8-44.11761720000111.4S48 N49 F54 L55 T56S48-V52 WeakPolarHBondContact O-CG2 3.48Å; S48-V52 PolarHBondContact O-N 3.42Å; N49-V52 PolarHBondContact O-N 2.88Å; V52-F54 VanDerWaalsContact C-N 3.34Å; V52-F54 PolarHBondContact O-N 3.46Å; V52-L55 PolarHBondContact O-N 2.97Å; V52-T56 WeakPolarHBondContact O-CB 3.42Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 2.86Å
53S85.8Confident83.9Confident40 Ų4059.4 Ų59.428%0.2831%0.309SS..Hα-helixtrans-61-42.5175.6-65.30000112.1N49 Y50 T56 I57N49-S53 WeakPolarHBondContact O-CB 3.26Å; N49-S53 PolarHBondContact O-N 3.42Å; N49-S53 PolarHBondContact O-OG 3.46Å; N49-S53 VanDerWaalsContact O-OG 3.06Å; Y50-S53 PolarHBondContact O-N 2.85Å; S53-T56 PolarHBondContact O-N 2.85Å; S53-I57 WeakPolarHBondContact O-CG1 3.31Å; S53-I57 PolarHBondContact O-N 3.27Å
54F88.3Confident84.1Confident45 Ų4564.2 Ų64.220%0.19733%0.328CS..Hα-helixtrans-59.7-51.1175.6-177.9-94.2000111.2Y50 F51 V52 T56 I57 L58 P132 I133 I136Y50-F54 VanDerWaalsContact O-CB 3.27Å; Y50-F54 WeakPolarHBondContact O-CB 3.17Å; Y50-F54 PolarHBondContact O-N 3.19Å; F51-F54 WeakPolarHBondContact O-CB 3.31Å; F51-F54 PolarHBondContact O-N 3.46Å; V52-F54 VanDerWaalsContact C-N 3.34Å; V52-F54 PolarHBondContact O-N 3.46Å; F54-T56 VanDerWaalsContact C-N 3.29Å; F54-T56 PolarHBondContact O-N 3.35Å; F54-I57 PolarHBondContact O-N 3.06Å; F54-L58 HydrophobicContact CE1-CD2 4.13Å; F54-L58 VanDerWaalsContact O-CB 3.28Å; F54-L58 WeakPolarHBondContact O-CB 3.32Å; F54-L58 PolarHBondContact O-N 3.36Å; F54-P132 HydrophobicContact CD2-CB 3.48Å; F54-P132 VanDerWaalsContact CD2-CB 3.48Å; F54-P132 HydrophobicContact CD2-CG 4.37Å; F54-P132 HydrophobicContact CE2-CB 3.87Å; F54-P132 HydrophobicContact CE2-CG 4.45Å; F54-P132 HydrophobicContact CG-CB 4.46Å; F54-I133 HydrophobicContact CE2-CG1 4.16Å; F54-I136 HydrophobicContact CB-CD1 4.15Å; F54-I136 HydrophobicContact CD2-CD1 4.36Å
55L88.8Confident84.4Confident80 Ų8063.2 Ų63.242%0.41932%0.321SS..Hα-helixtrans-62.1-36.6178.2-71.8-177.5000112.7F51 V52 L58 G59F51-L55 HydrophobicContact CD1-CD1 3.96Å; F51-L55 HydrophobicContact CE1-CD1 3.4Å; F51-L55 HydrophobicContact CE1-CG 4.17Å; F51-L55 HydrophobicContact CE2-CD1 4.41Å; F51-L55 HydrophobicContact CE2-CG 4.39Å; F51-L55 HydrophobicContact CZ-CD1 3.66Å; F51-L55 HydrophobicContact CZ-CD2 4.35Å; F51-L55 HydrophobicContact CZ-CG 4.1Å; F51-L55 WeakPolarHBondContact O-CG 3.37Å; F51-L55 PolarHBondContact O-N 3.32Å; V52-L55 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 2.77Å; L55-G59 PolarHBondContact O-N 2.88Å
56T88Confident85.1Confident77 Ų7764 Ų6447%0.47233%0.333SS..Hα-helixtrans-63.5-49.8177.8-570000110.6V52 S53 F54 G59 I60V52-T56 WeakPolarHBondContact O-CB 3.42Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 2.86Å; S53-T56 PolarHBondContact O-N 2.85Å; F54-T56 VanDerWaalsContact C-N 3.29Å; F54-T56 PolarHBondContact O-N 3.35Å; T56-G59 PolarHBondContact O-N 3.25Å; T56-I60 HydrophobicContact CG2-CD1 4.16Å; T56-I60 VanDerWaalsContact O-CG1 3.3Å; T56-I60 WeakPolarHBondContact O-CG1 3.4Å; T56-I60 PolarHBondContact O-N 3.01Å
57I87.6Confident85.5Confident41 Ų4171.4 Ų71.421%0.2137%0.366CS..Hα-helixtrans-65.4-42.3178.3-59.8164.4000110.6S53 F54 G59 I60 V61 P132 L135S53-I57 WeakPolarHBondContact O-CG1 3.31Å; S53-I57 PolarHBondContact O-N 3.27Å; F54-I57 PolarHBondContact O-N 3.06Å; I57-G59 VanDerWaalsContact C-N 3.3Å; I57-G59 PolarHBondContact O-N 3.09Å; I57-I60 PolarHBondContact O-N 3.45Å; I57-V61 HydrophobicContact CG2-CG2 4.36Å; I57-V61 WeakPolarHBondContact O-CG2 3.31Å; I57-V61 PolarHBondContact O-N 2.85Å; I57-P132 HydrophobicContact CB-CG 3.85Å; I57-P132 HydrophobicContact CD1-CB 4.07Å; I57-P132 HydrophobicContact CD1-CG 4.03Å; I57-P132 HydrophobicContact CG2-CG 3.57Å; I57-L135 HydrophobicContact CD1-CD1 4.07Å
58L86.5Confident85.8Confident37 Ų3768.7 Ų68.719%0.19435%0.354CS..Hα-helixtrans-59-42.6176.8-168.573.9000111.5F54 L55 V61 G62 L69 G128 I129F54-L58 HydrophobicContact CE1-CD2 4.13Å; F54-L58 VanDerWaalsContact O-CB 3.28Å; F54-L58 WeakPolarHBondContact O-CB 3.32Å; F54-L58 PolarHBondContact O-N 3.36Å; L55-L58 PolarHBondContact O-N 2.77Å; L58-V61 PolarHBondContact O-N 3.4Å; L58-G62 WeakPolarHBondContact O-CA 3.39Å; L58-G62 PolarHBondContact O-N 3.48Å; L58-L69 HydrophobicContact CD1-CD1 3.55Å; L58-L69 HydrophobicContact CG-CD1 4Å; L58-G128 WeakPolarHBondContact CD1-O 3.41Å; L58-I129 HydrophobicContact CD1-CG1 4.26Å
59G86.7Confident86.1Confident44 Ų4469 Ų6945%0.45435%0.354SS..Hα-helixtrans-64.5-41.3176.100000112.7L55 T56 I57 G62 Y63L55-G59 PolarHBondContact O-N 2.88Å; T56-G59 PolarHBondContact O-N 3.25Å; I57-G59 VanDerWaalsContact C-N 3.3Å; I57-G59 PolarHBondContact O-N 3.09Å; G59-G62 PolarHBondContact O-N 3.25Å; G59-Y63 WeakPolarHBondContact O-CB 3.3Å; G59-Y63 PolarHBondContact O-N 3.02Å
60I87.8Confident86.2Confident97 Ų9776 Ų7650%0.49738%0.384SS..Hα-helixtrans-61.9-50.1175.3-67.6164.9000110.4T56 I57 G62 Y63 F64T56-I60 HydrophobicContact CG2-CD1 4.16Å; T56-I60 VanDerWaalsContact O-CG1 3.3Å; T56-I60 WeakPolarHBondContact O-CG1 3.4Å; T56-I60 PolarHBondContact O-N 3.01Å; I57-I60 PolarHBondContact O-N 3.45Å; I60-G62 VanDerWaalsContact C-N 3.32Å; I60-G62 PolarHBondContact O-N 2.92Å; I60-Y63 WeakPolarHBondContact O-CB 3.15Å; I60-Y63 PolarHBondContact O-N 2.86Å; I60-F64 HydrophobicContact CG2-CD2 4.48Å; I60-F64 HydrophobicContact CG2-CE2 4.04Å; I60-F64 WeakPolarHBondContact O-CD2 3.44Å
61V86Confident86.2Confident25 Ų2577.9 Ų77.915%0.15240%0.395CS..Hα-helixtrans-64.6-40.3178.5178.40000111I57 L58 Y63 F64 Q65 V124 F127I57-V61 HydrophobicContact CG2-CG2 4.36Å; I57-V61 WeakPolarHBondContact O-CG2 3.31Å; I57-V61 PolarHBondContact O-N 2.85Å; L58-V61 PolarHBondContact O-N 3.4Å; V61-Y63 VanDerWaalsContact C-N 3.29Å; V61-Y63 PolarHBondContact O-N 2.86Å; V61-F64 PolarHBondContact O-N 3.45Å; V61-Q65 PolarHBondContact O-N 3.2Å; V61-Q65 VanDerWaalsContact O-N 3.08Å; V61-V124 HydrophobicContact CG1-CG1 4.08Å; V61-V124 HydrophobicContact CG1-CG2 4.37Å; V61-F127 HydrophobicContact CG2-CB 4.17Å
62G85.6Confident86.2Confident9 Ų971.9 Ų71.99%0.09337%0.369CS..Hα-helixtrans-61.1-34.4176.600000114.1L58 G59 I60 F64 Q65 P66L58-G62 WeakPolarHBondContact O-CA 3.39Å; L58-G62 PolarHBondContact O-N 3.48Å; G59-G62 PolarHBondContact O-N 3.25Å; I60-G62 VanDerWaalsContact C-N 3.32Å; I60-G62 PolarHBondContact O-N 2.92Å; G62-F64 VanDerWaalsContact C-N 3.32Å; G62-F64 PolarHBondContact O-N 2.86Å; G62-Q65 CarbonylContact O-C 3.51Å; G62-Q65 PolarHBondContact O-N 2.91Å; G62-P66 WeakPolarHBondContact O-CA 3.45Å; G62-P66 WeakPolarHBondContact O-CB 3.27Å; G62-P66 WeakPolarHBondContact O-CD 3.46Å
63Y87.4Confident86.1Confident191 Ų19170.3 Ų70.375%0.74936%0.363SS*.Hα-helixtrans-62.2-40.4175.2-179.7-98.9000111.9G59 I60 V61G59-Y63 WeakPolarHBondContact O-CB 3.3Å; G59-Y63 PolarHBondContact O-N 3.02Å; I60-Y63 WeakPolarHBondContact O-CB 3.15Å; I60-Y63 PolarHBondContact O-N 2.86Å; V61-Y63 VanDerWaalsContact C-N 3.29Å; V61-Y63 PolarHBondContact O-N 2.86Å
64F84.5Confident86.2Confident155 Ų15572 Ų7268%0.6837%0.373SS*.Hα-helixtrans-78-33.4179.4-67.7-73.7000113.4I60 V61 G62I60-F64 HydrophobicContact CG2-CD2 4.48Å; I60-F64 HydrophobicContact CG2-CE2 4.04Å; I60-F64 WeakPolarHBondContact O-CD2 3.44Å; V61-F64 PolarHBondContact O-N 3.45Å; G62-F64 VanDerWaalsContact C-N 3.32Å; G62-F64 PolarHBondContact O-N 2.86Å
65Q84.2Confident86.2Confident82 Ų8270.6 Ų70.638%0.38337%0.367SS..  trans-140.471.3-177.6-65.7-161.5-15.700112.6V61 G62 F67 N68 L69 V124V61-Q65 PolarHBondContact O-N 3.2Å; V61-Q65 VanDerWaalsContact O-N 3.08Å; G62-Q65 CarbonylContact O-C 3.51Å; G62-Q65 PolarHBondContact O-N 2.91Å; Q65-F67 PolarHBondContact O-N 3.37Å; Q65-N68 HydrophobicContact CB-CB 4.18Å; Q65-N68 PolarHBondContact O-N 2.93Å; Q65-N68 PolarHBondContact OE1-ND2 2.62Å; Q65-L69 PolarHBondContact O-N 2.89Å; Q65-V124 HydrophobicContact CB-CG2 3.77Å
66P85.1Confident86.1Confident73 Ų7368.1 Ų68.147%0.47436%0.356SS..Hα-helixtrans-66-40.8-171.723.5-33.4000113G62 L69 F70G62-P66 WeakPolarHBondContact O-CA 3.45Å; G62-P66 WeakPolarHBondContact O-CB 3.27Å; G62-P66 WeakPolarHBondContact O-CD 3.46Å; P66-L69 WeakPolarHBondContact O-CB 3.41Å; P66-L69 PolarHBondContact O-N 3.34Å; P66-F70 WeakPolarHBondContact O-CD2 3.24Å; P66-F70 PolarHBondContact O-N 3.44Å
67F84.5Confident86.1Confident162 Ų16267.7 Ų67.771%0.71135%0.353SS*.Hα-helixtrans-63.6-46179.7-175.1-98.9000112.1Q65 L69 F70 L71Q65-F67 PolarHBondContact O-N 3.37Å; F67-L69 VanDerWaalsContact C-N 3.26Å; F67-L69 PolarHBondContact O-N 3.47Å; F67-F70 PolarHBondContact O-N 3.34Å; F67-L71 PolarHBondContact O-N 3.44Å
68N82.9Confident86.2Confident42 Ų4271.1 Ų71.123%0.22537%0.371CS..Hα-helixtrans-66.3-30176.9-67.9-19.2000111.8Q65 G72 V124Q65-N68 HydrophobicContact CB-CB 4.18Å; Q65-N68 PolarHBondContact O-N 2.93Å; Q65-N68 PolarHBondContact OE1-ND2 2.62Å; N68-G72 PolarHBondContact O-N 3.04Å; N68-V124 HydrophobicContact CB-CB 4.14Å; N68-V124 HydrophobicContact CB-CG2 3.43Å; N68-V124 VanDerWaalsContact CB-CG2 3.43Å
69L85.8Confident86.3Confident31 Ų3170.9 Ų70.916%0.16237%0.37CS..Hα-helixtrans-66-47.7172177.265.2000111.7L58 Q65 P66 F67 L71 G72 A73 V124L58-L69 HydrophobicContact CD1-CD1 3.55Å; L58-L69 HydrophobicContact CG-CD1 4Å; Q65-L69 PolarHBondContact O-N 2.89Å; P66-L69 WeakPolarHBondContact O-CB 3.41Å; P66-L69 PolarHBondContact O-N 3.34Å; F67-L69 VanDerWaalsContact C-N 3.26Å; F67-L69 PolarHBondContact O-N 3.47Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.04Å; L69-G72 PolarHBondContact O-N 3.25Å; L69-A73 VanDerWaalsContact O-CB 3.24Å; L69-A73 WeakPolarHBondContact O-CB 3.45Å; L69-A73 PolarHBondContact O-N 3.24Å; L69-V124 HydrophobicContact CB-CG1 3.98Å; L69-V124 HydrophobicContact CD1-CG1 3.99Å
70F86.6Confident86.4Confident153 Ų15374 Ų7467%0.67137%0.371SS*.Hα-helixtrans-60.3-43176.3-81.6-69.9000111.9P66 F67 T74P66-F70 WeakPolarHBondContact O-CD2 3.24Å; P66-F70 PolarHBondContact O-N 3.44Å; F67-F70 PolarHBondContact O-N 3.34Å; F70-T74 WeakPolarHBondContact O-CB 3.39Å; F70-T74 PolarHBondContact O-N 3.44Å; F70-T74 PolarHBondContact O-OG1 2.74Å
71L85.7Confident86.5Confident51 Ų5175 Ų7527%0.26738%0.375SS..Hα-helixtrans-62.4-48.9176.4-173.663.7000111.3F67 L69 T74 V75 L119F67-L71 PolarHBondContact O-N 3.44Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.04Å; L71-T74 PolarHBondContact O-N 2.92Å; L71-V75 WeakPolarHBondContact O-CG2 3.34Å; L71-V75 PolarHBondContact O-N 2.95Å; L71-L119 HydrophobicContact CD1-CD1 4.4Å; L71-L119 HydrophobicContact CD2-CB 4.08Å
72G85.6Confident86.7Confident1 Ų175.6 Ų75.61%0.0139%0.387CS..Hα-helixtrans-58.8-48176.800000112.9N68 L69 T74 V75 V76N68-G72 PolarHBondContact O-N 3.04Å; L69-G72 PolarHBondContact O-N 3.25Å; G72-T74 VanDerWaalsContact C-N 3.33Å; G72-T74 PolarHBondContact O-N 2.83Å; G72-V75 PolarHBondContact O-N 2.8Å; G72-V76 WeakPolarHBondContact O-CB 3.39Å; G72-V76 VanDerWaalsContact O-CG2 3.32Å; G72-V76 WeakPolarHBondContact O-CG2 3.3Å; G72-V76 PolarHBondContact O-N 2.87Å
73A85.6Confident86.8Confident40 Ų4076.9 Ų76.933%0.33139%0.39SS..Hα-helixtrans-61.7-41.2177.900000111.7L69 T77L69-A73 VanDerWaalsContact O-CB 3.24Å; L69-A73 WeakPolarHBondContact O-CB 3.45Å; L69-A73 PolarHBondContact O-N 3.24Å; A73-T77 VanDerWaalsContact O-CB 3.24Å; A73-T77 WeakPolarHBondContact O-CB 3.43Å; A73-T77 PolarHBondContact O-N 2.87Å; A73-T77 PolarHBondContact O-OG1 2.99Å
74T87.5Confident86.8Confident77 Ų7769.6 Ų69.647%0.47237%0.365SS..Hα-helixtrans-62.4-49.9176.8-57.90000110.9F70 L71 G72 V76 T77 L78F70-T74 WeakPolarHBondContact O-CB 3.39Å; F70-T74 PolarHBondContact O-N 3.44Å; F70-T74 PolarHBondContact O-OG1 2.74Å; L71-T74 PolarHBondContact O-N 2.92Å; G72-T74 VanDerWaalsContact C-N 3.33Å; G72-T74 PolarHBondContact O-N 2.83Å; T74-V76 PolarHBondContact O-N 3.13Å; T74-T77 PolarHBondContact O-N 2.84Å; T74-L78 HydrophobicContact CG2-CD1 4Å; T74-L78 HydrophobicContact CG2-CG 4.45Å; T74-L78 VanDerWaalsContact O-CG 3.32Å; T74-L78 WeakPolarHBondContact O-CG 3.36Å; T74-L78 PolarHBondContact O-N 3.31Å
75V88.1Confident87.1Confident15 Ų1570.1 Ų70.19%0.09136%0.363CS..Hα-helixtrans-60.3-48.9179.8169.70000111.5L71 G72 T77 L78 I79 F115 L116 L119L71-V75 WeakPolarHBondContact O-CG2 3.34Å; L71-V75 PolarHBondContact O-N 2.95Å; G72-V75 PolarHBondContact O-N 2.8Å; V75-T77 VanDerWaalsContact C-N 3.32Å; V75-T77 PolarHBondContact O-N 2.94Å; V75-L78 PolarHBondContact O-N 3.28Å; V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 WeakPolarHBondContact O-CG1 3.49Å; V75-I79 PolarHBondContact O-N 3.47Å; V75-F115 HydrophobicContact CG1-CB 3.74Å; V75-F115 HydrophobicContact CG1-CG 4.49Å; V75-L116 HydrophobicContact CB-CD2 4.09Å; V75-L116 HydrophobicContact CB-CG 4.36Å; V75-L116 HydrophobicContact CG1-CD1 4.39Å; V75-L116 HydrophobicContact CG1-CD2 4.28Å; V75-L116 HydrophobicContact CG1-CG 4.05Å; V75-L116 HydrophobicContact CG2-CD2 3.97Å; V75-L119 HydrophobicContact CG2-CD1 3.6Å
76V86.3Confident87.3Confident28 Ų2867.2 Ų67.217%0.1735%0.352CS..Hα-helixtrans-62-41.8179.4172.30000111.1G72 T74 I79 F80 F125 I129G72-V76 WeakPolarHBondContact O-CB 3.39Å; G72-V76 VanDerWaalsContact O-CG2 3.32Å; G72-V76 WeakPolarHBondContact O-CG2 3.3Å; G72-V76 PolarHBondContact O-N 2.87Å; T74-V76 PolarHBondContact O-N 3.13Å; V76-I79 PolarHBondContact O-N 3.4Å; V76-F80 VanDerWaalsContact O-CB 3.26Å; V76-F80 WeakPolarHBondContact O-CB 3.4Å; V76-F80 PolarHBondContact O-N 2.88Å; V76-F125 HydrophobicContact CG2-CD2 3.92Å; V76-F125 HydrophobicContact CG2-CE2 3.75Å; V76-I129 HydrophobicContact CB-CD1 4.41Å; V76-I129 HydrophobicContact CG2-CD1 3.75Å
77T87.6Confident87.3Confident68 Ų6863.7 Ų63.742%0.41733%0.33SS..Hα-helixtrans-63.6-45.3178.4-58.80000111.4A73 T74 V75 F80 M81A73-T77 VanDerWaalsContact O-CB 3.24Å; A73-T77 WeakPolarHBondContact O-CB 3.43Å; A73-T77 PolarHBondContact O-N 2.87Å; A73-T77 PolarHBondContact O-OG1 2.99Å; T74-T77 PolarHBondContact O-N 2.84Å; V75-T77 VanDerWaalsContact C-N 3.32Å; V75-T77 PolarHBondContact O-N 2.94Å; T77-F80 PolarHBondContact O-N 3Å; T77-M81 HydrophobicContact CG2-CE 3.64Å; T77-M81 HydrophobicContact CG2-CG 4.4Å; T77-M81 HydrophobicContact CG2-SD 4.05Å; T77-M81 WeakPolarHBondContact O-CB 3.4Å; T77-M81 VanDerWaalsContact O-CG 3.31Å; T77-M81 WeakPolarHBondContact O-CG 3.27Å; T77-M81 PolarHBondContact O-N 2.85Å
78L89.9Confident87.5Confident113 Ų11362.2 Ų62.259%0.59233%0.325SS*.Hα-helixtrans-64-43.5178.5-71.7174.8000112.1T74 V75 M81 G82T74-L78 HydrophobicContact CG2-CD1 4Å; T74-L78 HydrophobicContact CG2-CG 4.45Å; T74-L78 VanDerWaalsContact O-CG 3.32Å; T74-L78 WeakPolarHBondContact O-CG 3.36Å; T74-L78 PolarHBondContact O-N 3.31Å; V75-L78 PolarHBondContact O-N 3.28Å; L78-M81 PolarHBondContact O-N 2.92Å; L78-G82 PolarHBondContact O-N 3.43Å
79I90.1Very high87.6Confident32 Ų3264.7 Ų64.716%0.16434%0.338CS..Hα-helixtrans-64.3-43.3177-69.6170.5000110.4V75 V76 G82 F83 I108 A111 S112 F115V75-I79 HydrophobicContact CG1-CD1 3.7Å; V75-I79 WeakPolarHBondContact O-CG1 3.49Å; V75-I79 PolarHBondContact O-N 3.47Å; V76-I79 PolarHBondContact O-N 3.4Å; I79-G82 PolarHBondContact O-N 3.25Å; I79-F83 WeakPolarHBondContact O-CB 3.36Å; I79-F83 PolarHBondContact O-N 3.4Å; I79-I108 HydrophobicContact CG2-CG2 4.19Å; I79-A111 HydrophobicContact CD1-CB 4.38Å; I79-A111 HydrophobicContact CG2-CB 4.05Å; I79-S112 VanDerWaalsContact CD1-CA 3.46Å; I79-F115 HydrophobicContact CD1-CB 4.34Å; I79-F115 HydrophobicContact CD1-CD2 3.94Å; I79-F115 HydrophobicContact CD1-CG 4.28Å
80F88.1Confident87.7Confident108 Ų10868.1 Ų68.147%0.47435%0.353SS..Hα-helixtrans-62.4-48.4177.1-179.5-102.6000111.7V76 T77 G82 F83 V84 I108V76-F80 VanDerWaalsContact O-CB 3.26Å; V76-F80 WeakPolarHBondContact O-CB 3.4Å; V76-F80 PolarHBondContact O-N 2.88Å; T77-F80 PolarHBondContact O-N 3Å; F80-G82 PolarHBondContact O-N 2.95Å; F80-F83 PolarHBondContact O-N 2.95Å; F80-V84 HydrophobicContact CD1-CG2 4.23Å; F80-V84 HydrophobicContact CD2-CG2 4.5Å; F80-V84 HydrophobicContact CE1-CG2 3.8Å; F80-V84 HydrophobicContact CE2-CG2 4.1Å; F80-V84 HydrophobicContact CZ-CG2 3.73Å; F80-V84 WeakPolarHBondContact O-CG2 3.35Å; F80-V84 PolarHBondContact O-N 3.1Å; F80-I108 HydrophobicContact CD2-CD1 4.1Å
81M89.6Confident87.7Confident118 Ų11863 Ų6358%0.58134%0.339SS*.Hα-helixtrans-60.2-45176.5-74.8-180177.200111.5T77 L78 F83 V84 W85T77-M81 HydrophobicContact CG2-CE 3.64Å; T77-M81 HydrophobicContact CG2-CG 4.4Å; T77-M81 HydrophobicContact CG2-SD 4.05Å; T77-M81 WeakPolarHBondContact O-CB 3.4Å; T77-M81 VanDerWaalsContact O-CG 3.31Å; T77-M81 WeakPolarHBondContact O-CG 3.27Å; T77-M81 PolarHBondContact O-N 2.85Å; L78-M81 PolarHBondContact O-N 2.92Å; M81-F83 VanDerWaalsContact C-N 3.33Å; M81-F83 PolarHBondContact O-N 2.79Å; M81-V84 PolarHBondContact O-N 3.42Å; M81-W85 VanDerWaalsContact O-CB 3.31Å; M81-W85 WeakPolarHBondContact O-CB 3.27Å; M81-W85 PolarHBondContact O-N 3.1Å
82G89.4Confident87.7Confident39 Ų3964.6 Ų64.640%0.40235%0.353SS..Hα-helixtrans-60.6-41.617600000112.4L78 I79 F80 A86L78-G82 PolarHBondContact O-N 3.43Å; I79-G82 PolarHBondContact O-N 3.25Å; F80-G82 PolarHBondContact O-N 2.95Å; G82-A86 WeakPolarHBondContact O-CB 3.2Å; G82-A86 PolarHBondContact O-N 3.33Å
83F87.9Confident87.5Confident36 Ų3667 Ų6716%0.15837%0.365CS..Hα-helixtrans-65.7-43175.2-178.6-93.7000112.3I79 F80 M81 A86 A87 I93 R97 A104 I108I79-F83 WeakPolarHBondContact O-CB 3.36Å; I79-F83 PolarHBondContact O-N 3.4Å; F80-F83 PolarHBondContact O-N 2.95Å; M81-F83 VanDerWaalsContact C-N 3.33Å; M81-F83 PolarHBondContact O-N 2.79Å; F83-A86 PolarHBondContact O-N 3.26Å; F83-A87 VanDerWaalsContact O-CB 3.27Å; F83-A87 WeakPolarHBondContact O-CB 3.34Å; F83-A87 PolarHBondContact O-N 2.89Å; F83-I93 HydrophobicContact CE2-CG2 4.09Å; F83-I93 HydrophobicContact CZ-CG2 4.32Å; F83-R97 HydrophobicContact CE1-CB 4.3Å; F83-R97 HydrophobicContact CE1-CG 4.13Å; F83-R97 HydrophobicContact CZ-CB 4.24Å; F83-A104 HydrophobicContact CE1-CB 4.24Å; F83-A104 HydrophobicContact CZ-CB 3.74Å; F83-I108 HydrophobicContact CB-CD1 4.44Å; F83-I108 HydrophobicContact CB-CG1 4.19Å; F83-I108 HydrophobicContact CD1-CD1 3.72Å; F83-I108 HydrophobicContact CD1-CG1 4.2Å; F83-I108 HydrophobicContact CD2-CG1 4.28Å; F83-I108 HydrophobicContact CE1-CD1 4.1Å; F83-I108 HydrophobicContact CG-CD1 4.02Å; F83-I108 HydrophobicContact CG-CG1 3.96Å
84V87.9Confident87.5Confident38 Ų3871.4 Ų71.423%0.2337%0.373CS..Hα-helixtrans-63.5-47.7177.7169.90000110.6F80 M81 A86 A87 E88F80-V84 HydrophobicContact CD1-CG2 4.23Å; F80-V84 HydrophobicContact CD2-CG2 4.5Å; F80-V84 HydrophobicContact CE1-CG2 3.8Å; F80-V84 HydrophobicContact CE2-CG2 4.1Å; F80-V84 HydrophobicContact CZ-CG2 3.73Å; F80-V84 WeakPolarHBondContact O-CG2 3.35Å; F80-V84 PolarHBondContact O-N 3.1Å; M81-V84 PolarHBondContact O-N 3.42Å; V84-A86 VanDerWaalsContact C-N 3.35Å; V84-A86 PolarHBondContact O-N 2.89Å; V84-A87 CarbonylContact O-C 3.46Å; V84-A87 WeakPolarHBondContact O-CB 3.48Å; V84-A87 PolarHBondContact O-N 3.2Å; V84-A87 VanDerWaalsContact O-N 3.13Å; V84-E88 PolarHBondContact O-N 2.76Å
85W91.4Very high87.4Confident166 Ų16675.9 Ų75.963%0.62938%0.381SS*.Hα-helixtrans-57.5-48.2175178.682.7000111.1M81 A87 E88 N89M81-W85 VanDerWaalsContact O-CB 3.31Å; M81-W85 WeakPolarHBondContact O-CB 3.27Å; M81-W85 PolarHBondContact O-N 3.1Å; W85-A87 VanDerWaalsContact C-N 3.28Å; W85-A87 PolarHBondContact O-N 3.39Å; W85-E88 PolarHBondContact O-N 3.41Å; W85-E88 VanDerWaalsContact O-N 3.1Å; W85-N89 PolarHBondContact O-N 3.45Å; W85-N89 PolarHBondContact O-OD1 3.33Å
86A87.1Confident87.1Confident20 Ų2078.9 Ų78.917%0.16539%0.393CS..Hα-helixtrans-61.4-37.117700000112G82 F83 V84 E88 Q90 I93G82-A86 WeakPolarHBondContact O-CB 3.2Å; G82-A86 PolarHBondContact O-N 3.33Å; F83-A86 PolarHBondContact O-N 3.26Å; V84-A86 VanDerWaalsContact C-N 3.35Å; V84-A86 PolarHBondContact O-N 2.89Å; A86-E88 VanDerWaalsContact C-N 3.34Å; A86-Q90 WeakPolarHBondContact O-CA 3.19Å; A86-Q90 WeakPolarHBondContact O-CB 3.45Å; A86-Q90 PolarHBondContact O-N 2.63Å; A86-I93 HydrophobicContact CB-CD1 3.6Å; A86-I93 HydrophobicContact CB-CG2 4.47Å
87A86.9Confident86.9Confident0 Ų081.6 Ų81.60%040%0.4CS..Hα-helixtrans-71.6-24.8176.400000113.9F83 V84 W85 I93 R94 R97F83-A87 VanDerWaalsContact O-CB 3.27Å; F83-A87 WeakPolarHBondContact O-CB 3.34Å; F83-A87 PolarHBondContact O-N 2.89Å; V84-A87 CarbonylContact O-C 3.46Å; V84-A87 WeakPolarHBondContact O-CB 3.48Å; V84-A87 PolarHBondContact O-N 3.2Å; V84-A87 VanDerWaalsContact O-N 3.13Å; W85-A87 VanDerWaalsContact C-N 3.28Å; W85-A87 PolarHBondContact O-N 3.39Å; A87-I93 HydrophobicContact CB-CB 4.49Å; A87-I93 HydrophobicContact CB-CG2 3.74Å; A87-R94 WeakPolarHBondContact O-CB 3.2Å; A87-R94 WeakPolarHBondContact O-CG 3.49Å; A87-R97 VanDerWaalsContact CB-NH1 3.31Å
88E87.2Confident86.6Confident131 Ų13188.6 Ų88.661%0.61242%0.419SS*.Hα-helixtrans-79.3-43.7173.1-75.4-178.9-177.400111.2V84 W85 A86V84-E88 PolarHBondContact O-N 2.76Å; W85-E88 PolarHBondContact O-N 3.41Å; W85-E88 VanDerWaalsContact O-N 3.1Å; A86-E88 VanDerWaalsContact C-N 3.34Å
89N86.5Confident86.2Confident93 Ų9388.4 Ų88.450%0.49742%0.419SS..Hα-helixtrans-81.4-26.6-175.7-71.668.5000113.7W85W85-N89 PolarHBondContact O-N 3.45Å; W85-N89 PolarHBondContact O-OD1 3.33Å
90Q87.9Confident85.7Confident103 Ų10391.3 Ų91.348%0.48143%0.431SS..  trans-116.3114.8-176.1-58.4-67.3-23.200111.5A86 P92 I93 R94A86-Q90 WeakPolarHBondContact O-CA 3.19Å; A86-Q90 WeakPolarHBondContact O-CB 3.45Å; A86-Q90 PolarHBondContact O-N 2.63Å; Q90-P92 VanDerWaalsContact C-CD 3.42Å; Q90-P92 HydrophobicContact CB-CG 4.3Å; Q90-I93 HydrophobicContact CB-CB 4.21Å; Q90-I93 HydrophobicContact CB-CD1 3.87Å; Q90-I93 HydrophobicContact CB-CG1 3.95Å; Q90-I93 HydrophobicContact CG-CD1 4.14Å; Q90-I93 PolarHBondContact O-N 2.9Å; Q90-I93 VanDerWaalsContact O-N 3.16Å; Q90-R94 PolarHBondContact O-N 3.49Å
91A85.6Confident85.3Confident46 Ų4689.8 Ų89.838%0.3843%0.432SS..Hα-helixtrans-51-41.5173.800000115.1R94 R95A91-R94 PolarHBondContact O-N 2.9Å; A91-R95 WeakPolarHBondContact O-CG 3.45Å; A91-R95 PolarHBondContact O-N 2.92Å
92P84.9Confident84.6Confident85 Ų8588.4 Ų88.455%0.55243%0.434SS*.Hα-helixtrans-65.2-39.917823.4-33.6000112.7Q90 R95 F96Q90-P92 VanDerWaalsContact C-CD 3.42Å; Q90-P92 HydrophobicContact CB-CG 4.3Å; P92-R95 PolarHBondContact O-N 3.29Å; P92-F96 WeakPolarHBondContact O-CB 3.47Å; P92-F96 PolarHBondContact O-N 3.05Å
93I81.3Confident84.3Confident51 Ų5191.2 Ų91.226%0.26244%0.44SS..Hα-helixtrans-69.6-39179.5-57179000110F83 A86 A87 Q90 R95 F96 R97F83-I93 HydrophobicContact CE2-CG2 4.09Å; F83-I93 HydrophobicContact CZ-CG2 4.32Å; A86-I93 HydrophobicContact CB-CD1 3.6Å; A86-I93 HydrophobicContact CB-CG2 4.47Å; A87-I93 HydrophobicContact CB-CB 4.49Å; A87-I93 HydrophobicContact CB-CG2 3.74Å; Q90-I93 HydrophobicContact CB-CB 4.21Å; Q90-I93 HydrophobicContact CB-CD1 3.87Å; Q90-I93 HydrophobicContact CB-CG1 3.95Å; Q90-I93 HydrophobicContact CG-CD1 4.14Å; Q90-I93 PolarHBondContact O-N 2.9Å; Q90-I93 VanDerWaalsContact O-N 3.16Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 2.84Å; I93-F96 PolarHBondContact O-N 3.38Å; I93-R97 WeakPolarHBondContact O-CB 3.5Å; I93-R97 PolarHBondContact O-N 3.32Å
94R85.6Confident84.1Confident133 Ų13389.7 Ų89.750%0.50243%0.434SS..Hα-helixtrans-57.4-46.2172.2-157.1173.375.5-139.28.1112.4A87 Q90 A91 R98A87-R94 WeakPolarHBondContact O-CB 3.2Å; A87-R94 WeakPolarHBondContact O-CG 3.49Å; Q90-R94 PolarHBondContact O-N 3.49Å; A91-R94 PolarHBondContact O-N 2.9Å; R94-R98 PolarHBondContact O-N 3.47Å
95R86.4Confident83.9Confident171 Ų17193 Ų9365%0.64545%0.449SS*.Hα-helixtrans-66.6-43.6178.7-73179.5-172.9-156.93.1111.2A91 P92 I93 R97 R98 N99A91-R95 WeakPolarHBondContact O-CG 3.45Å; A91-R95 PolarHBondContact O-N 2.92Å; P92-R95 PolarHBondContact O-N 3.29Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 2.84Å; R95-R97 PolarHBondContact O-N 3.37Å; R95-R98 PolarHBondContact O-N 2.81Å; R95-N99 WeakPolarHBondContact O-CB 3.22Å; R95-N99 VanDerWaalsContact O-CG 3.28Å; R95-N99 PolarHBondContact O-N 3.05Å
96F82.7Confident83.6Confident78 Ų7887 Ų8734%0.34244%0.44SS..Hα-helixtrans-57.7-49.8176.4176.4-105.5000111.9P92 I93 R98 N99 H100 L103 A104P92-F96 WeakPolarHBondContact O-CB 3.47Å; P92-F96 PolarHBondContact O-N 3.05Å; I93-F96 PolarHBondContact O-N 3.38Å; F96-R98 VanDerWaalsContact C-N 3.25Å; F96-R98 PolarHBondContact O-N 3.48Å; F96-N99 PolarHBondContact O-N 3.08Å; F96-H100 HydrophobicContact CE2-CB 4.49Å; F96-H100 PolarHBondContact O-N 2.96Å; F96-L103 HydrophobicContact CE2-CB 4.13Å; F96-L103 HydrophobicContact CE2-CD1 4.46Å; F96-L103 HydrophobicContact CZ-CB 3.73Å; F96-A104 HydrophobicContact CD1-CB 4.33Å; F96-A104 HydrophobicContact CE1-CB 4.02Å
97R81.4Confident83.5Confident84 Ų8488.4 Ų88.432%0.31745%0.451SS..Hα-helixtrans-56.5-38.4176.2-177.7178.767.3-172.2-1.3112.7F83 A87 I93 R95 P101F83-R97 HydrophobicContact CE1-CB 4.3Å; F83-R97 HydrophobicContact CE1-CG 4.13Å; F83-R97 HydrophobicContact CZ-CB 4.24Å; A87-R97 VanDerWaalsContact CB-NH1 3.31Å; I93-R97 WeakPolarHBondContact O-CB 3.5Å; I93-R97 PolarHBondContact O-N 3.32Å; R95-R97 PolarHBondContact O-N 3.37Å; R97-P101 WeakPolarHBondContact O-CA 3.27Å
98R80.9Confident83.5Confident216 Ų21689.2 Ų89.282%0.81546%0.455SS*.Hα-helixtrans-78.9-39.5-177.2-168.3174.6-179.8160.6-0.5112.8R94 R95 F96R94-R98 PolarHBondContact O-N 3.47Å; R95-R98 PolarHBondContact O-N 2.81Å; F96-R98 VanDerWaalsContact C-N 3.25Å; F96-R98 PolarHBondContact O-N 3.48Å
99N82.1Confident83.5Confident109 Ų10985.1 Ų85.158%0.58344%0.437SS*.Hα-helixtrans-80.9-32.7-176.8-67.2-1.4000112R95 F96R95-N99 WeakPolarHBondContact O-CB 3.22Å; R95-N99 VanDerWaalsContact O-CG 3.28Å; R95-N99 PolarHBondContact O-N 3.05Å; F96-N99 PolarHBondContact O-N 3.08Å
100H79.4Confident83.5Confident92 Ų9282.3 Ų82.343%0.42643%0.43SS..  trans-136.267.5-175.7-54.6-68.5000111.5F96 S102 L103 A104F96-H100 HydrophobicContact CE2-CB 4.49Å; F96-H100 PolarHBondContact O-N 2.96Å; H100-S102 PolarHBondContact O-N 3.33Å; H100-L103 HydrophobicContact CB-CB 3.86Å; H100-L103 HydrophobicContact CB-CD1 3.79Å; H100-L103 HydrophobicContact CB-CG 3.98Å; H100-L103 PolarHBondContact O-N 2.89Å; H100-L103 VanDerWaalsContact O-N 3.1Å; H100-A104 PolarHBondContact O-N 3.24Å
101P78.4Confident83.5Confident76 Ų7679 Ų7949%0.49442%0.42SS..Hα-helixtrans-60.3-32.5-177.624-34.3000113.1R97 A104 L105R97-P101 WeakPolarHBondContact O-CA 3.27Å; P101-A104 PolarHBondContact O-N 3.47Å; P101-L105 PolarHBondContact O-N 3Å
102S76.2Confident83.5Confident89 Ų8976.8 Ų76.862%0.62240%0.402SS*.Hα-helixtrans-67.6-41.4174.751.60000112.7H100 A104 L105 G106H100-S102 PolarHBondContact O-N 3.33Å; S102-A104 VanDerWaalsContact C-N 3.35Å; S102-L105 PolarHBondContact O-N 3.09Å; S102-G106 PolarHBondContact O-N 2.83Å
103L82.5Confident83.7Confident99 Ų9977.5 Ų77.552%0.51839%0.394SS..Hα-helixtrans-69.1-35.1175.3-64.1-179000111.5F96 H100 G106 A107F96-L103 HydrophobicContact CE2-CB 4.13Å; F96-L103 HydrophobicContact CE2-CD1 4.46Å; F96-L103 HydrophobicContact CZ-CB 3.73Å; H100-L103 HydrophobicContact CB-CB 3.86Å; H100-L103 HydrophobicContact CB-CD1 3.79Å; H100-L103 HydrophobicContact CB-CG 3.98Å; H100-L103 PolarHBondContact O-N 2.89Å; H100-L103 VanDerWaalsContact O-N 3.1Å; L103-G106 PolarHBondContact O-N 2.94Å; L103-A107 WeakPolarHBondContact O-CB 3.18Å; L103-A107 PolarHBondContact O-N 3.33Å
104A83.5Confident83.9Confident4 Ų480.4 Ų80.43%0.03341%0.41CS..Hα-helixtrans-62.8-45.8173.400000112F83 F96 H100 P101 S102 A107 I108F83-A104 HydrophobicContact CE1-CB 4.24Å; F83-A104 HydrophobicContact CZ-CB 3.74Å; F96-A104 HydrophobicContact CD1-CB 4.33Å; F96-A104 HydrophobicContact CE1-CB 4.02Å; H100-A104 PolarHBondContact O-N 3.24Å; P101-A104 PolarHBondContact O-N 3.47Å; S102-A104 VanDerWaalsContact C-N 3.35Å; A104-A107 PolarHBondContact O-N 3.38Å; A104-I108 WeakPolarHBondContact O-CG1 3.44Å; A104-I108 PolarHBondContact O-N 3.44Å; A104-I108 VanDerWaalsContact O-N 3.09Å
105L83.4Confident83.9Confident107 Ų10780 Ų8056%0.5641%0.412SS*.Hα-helixtrans-60.3-45.3171.9-82.5165.3000111.8P101 S102 A107 I108 L109P101-L105 PolarHBondContact O-N 3Å; S102-L105 PolarHBondContact O-N 3.09Å; L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 3.3Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.43Å
106G84.7Confident83.8Confident41 Ų4171.9 Ų71.942%0.42338%0.381SS..Hα-helixtrans-58.3-40.3175.800000112.9S102 L103 L109 G110S102-G106 PolarHBondContact O-N 2.83Å; L103-G106 PolarHBondContact O-N 2.94Å; G106-L109 PolarHBondContact O-N 2.99Å; G106-G110 PolarHBondContact O-N 3.16Å
107A86.6Confident83.8Confident49 Ų4971.1 Ų71.141%0.40538%0.383SS..Hα-helixtrans-65.5-42.4176.700000112.3L103 A104 L105 G110 A111L103-A107 WeakPolarHBondContact O-CB 3.18Å; L103-A107 PolarHBondContact O-N 3.33Å; A104-A107 PolarHBondContact O-N 3.38Å; L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 3.3Å; A107-G110 PolarHBondContact O-N 3.23Å; A107-A111 VanDerWaalsContact O-CB 3.27Å; A107-A111 WeakPolarHBondContact O-CB 3.31Å; A107-A111 PolarHBondContact O-N 3.14Å
108I87Confident84Confident16 Ų1673 Ų738%0.08240%0.404CS..Hα-helixtrans-63.5-46.4176.5-67.4158.9000110.6I79 F80 F83 A104 L105 S112I79-I108 HydrophobicContact CG2-CG2 4.19Å; F80-I108 HydrophobicContact CD2-CD1 4.1Å; F83-I108 HydrophobicContact CB-CD1 4.44Å; F83-I108 HydrophobicContact CB-CG1 4.19Å; F83-I108 HydrophobicContact CD1-CD1 3.72Å; F83-I108 HydrophobicContact CD1-CG1 4.2Å; F83-I108 HydrophobicContact CD2-CG1 4.28Å; F83-I108 HydrophobicContact CE1-CD1 4.1Å; F83-I108 HydrophobicContact CG-CD1 4.02Å; F83-I108 HydrophobicContact CG-CG1 3.96Å; A104-I108 WeakPolarHBondContact O-CG1 3.44Å; A104-I108 PolarHBondContact O-N 3.44Å; A104-I108 VanDerWaalsContact O-N 3.09Å; L105-I108 PolarHBondContact O-N 2.87Å; I108-S112 WeakPolarHBondContact O-CB 3.3Å; I108-S112 PolarHBondContact O-N 2.71Å; I108-S112 PolarHBondContact O-OG 3.38Å
109L86.5Confident83.9Confident45 Ų4566.7 Ų66.724%0.23639%0.386CS..Hα-helixtrans-65.7-42.2178.4-68.6177.4000111.6L105 G106 S112 Y113 F125 I129 I133L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.43Å; G106-L109 PolarHBondContact O-N 2.99Å; L109-S112 PolarHBondContact O-N 3.45Å; L109-Y113 WeakPolarHBondContact O-CB 3.45Å; L109-Y113 PolarHBondContact O-N 3.47Å; L109-F125 HydrophobicContact CB-CZ 4.27Å; L109-F125 HydrophobicContact CD2-CE2 4.3Å; L109-F125 HydrophobicContact CD2-CZ 3.86Å; L109-F125 VanDerWaalsContact O-CZ 3.3Å; L109-F125 WeakPolarHBondContact O-CZ 3.24Å; L109-I129 HydrophobicContact CD2-CG2 4.35Å; L109-I133 HydrophobicContact CD1-CD1 4.47Å; L109-I133 HydrophobicContact CD2-CD1 4.1Å
110G87.4Confident83.7Confident34 Ų3464.3 Ų64.335%0.35139%0.387SS..Hα-helixtrans-63.5-45.4176.800000112.4G106 A107 S112 Y113 L114G106-G110 PolarHBondContact O-N 3.16Å; A107-G110 PolarHBondContact O-N 3.23Å; G110-S112 VanDerWaalsContact C-N 3.34Å; G110-S112 PolarHBondContact O-N 2.64Å; G110-Y113 WeakPolarHBondContact O-CB 3.24Å; G110-Y113 PolarHBondContact O-N 2.8Å; G110-L114 WeakPolarHBondContact O-CG 3.45Å; G110-L114 PolarHBondContact O-N 2.97Å
111A87.9Confident83.8Confident34 Ų3460 Ų6028%0.28137%0.367SS..Hα-helixtrans-61.1-44.3174.300000111.4I79 A107 Y113 L114 F115I79-A111 HydrophobicContact CD1-CB 4.38Å; I79-A111 HydrophobicContact CG2-CB 4.05Å; A107-A111 VanDerWaalsContact O-CB 3.27Å; A107-A111 WeakPolarHBondContact O-CB 3.31Å; A107-A111 PolarHBondContact O-N 3.14Å; A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 PolarHBondContact O-N 2.84Å; A111-L114 PolarHBondContact O-N 3.38Å; A111-F115 WeakPolarHBondContact O-CD2 3.24Å; A111-F115 PolarHBondContact O-N 3.39Å
112S85.4Confident83.9Confident0 Ų057.9 Ų57.90%035%0.353CS..Hα-helixtrans-62-41.2177.9-57.60000112.3I79 I108 L109 G110 F115 L116I79-S112 VanDerWaalsContact CD1-CA 3.46Å; I108-S112 WeakPolarHBondContact O-CB 3.3Å; I108-S112 PolarHBondContact O-N 2.71Å; I108-S112 PolarHBondContact O-OG 3.38Å; L109-S112 PolarHBondContact O-N 3.45Å; G110-S112 VanDerWaalsContact C-N 3.34Å; G110-S112 PolarHBondContact O-N 2.64Å; S112-F115 PolarHBondContact O-N 3.08Å; S112-L116 WeakPolarHBondContact O-CB 3.42Å; S112-L116 VanDerWaalsContact O-CG 3.31Å; S112-L116 WeakPolarHBondContact O-CG 3.4Å; S112-L116 PolarHBondContact O-N 2.83Å
113Y87.4Confident84.1Confident99 Ų9956 Ų5639%0.38834%0.342SS..Hα-helixtrans-59.3-49.3174178-97.4000111.4L109 G110 A111 F115 L116 T117 V122 F125 L126L109-Y113 WeakPolarHBondContact O-CB 3.45Å; L109-Y113 PolarHBondContact O-N 3.47Å; G110-Y113 WeakPolarHBondContact O-CB 3.24Å; G110-Y113 PolarHBondContact O-N 2.8Å; A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 PolarHBondContact O-N 2.84Å; Y113-F115 PolarHBondContact O-N 2.83Å; Y113-L116 PolarHBondContact O-N 2.78Å; Y113-T117 HydrophobicContact CD1-CG2 4.07Å; Y113-T117 HydrophobicContact CE1-CG2 3.66Å; Y113-T117 HydrophobicContact CE2-CG2 4.24Å; Y113-T117 WeakPolarHBondContact O-CG2 3.45Å; Y113-T117 PolarHBondContact O-N 3.25Å; Y113-V122 HydrophobicContact CD2-CG1 4.14Å; Y113-V122 HydrophobicContact CE2-CG1 3.54Å; Y113-F125 HydrophobicContact CD2-CD1 4.18Å; Y113-F125 HydrophobicContact CD2-CE1 4.38Å; Y113-L126 HydrophobicContact CD2-CD2 4.2Å; Y113-L126 HydrophobicContact CE2-CD1 4.42Å; Y113-L126 HydrophobicContact CE2-CD2 4.17Å; Y113-L126 HydrophobicContact CE2-CG 4.44Å
114L87.1Confident83.9Confident112 Ų11251.3 Ų51.359%0.58632%0.318SS*.Hα-helixtrans-58.9-47.2178.9-68.6174.1000111.8G110 A111 L116 T117 V118G110-L114 WeakPolarHBondContact O-CG 3.45Å; G110-L114 PolarHBondContact O-N 2.97Å; A111-L114 PolarHBondContact O-N 3.38Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 3.25Å; L114-T117 PolarHBondContact O-N 3.22Å; L114-T117 PolarHBondContact O-OG1 3.36Å; L114-V118 PolarHBondContact O-N 3.37Å
115F84.4Confident83.8Confident125 Ų12551.4 Ų51.455%0.54832%0.318SS..Hα-helixtrans-61.6-41.2176.3-89.4-92.1000112.6V75 I79 A111 S112 Y113 T117 V118 L119V75-F115 HydrophobicContact CG1-CB 3.74Å; V75-F115 HydrophobicContact CG1-CG 4.49Å; I79-F115 HydrophobicContact CD1-CB 4.34Å; I79-F115 HydrophobicContact CD1-CD2 3.94Å; I79-F115 HydrophobicContact CD1-CG 4.28Å; A111-F115 WeakPolarHBondContact O-CD2 3.24Å; A111-F115 PolarHBondContact O-N 3.39Å; S112-F115 PolarHBondContact O-N 3.08Å; Y113-F115 PolarHBondContact O-N 2.83Å; F115-T117 VanDerWaalsContact C-N 3.32Å; F115-T117 PolarHBondContact O-N 3.04Å; F115-V118 PolarHBondContact O-N 3.15Å; F115-L119 WeakPolarHBondContact O-CG 3.38Å; F115-L119 PolarHBondContact O-N 3.43Å; F115-L119 VanDerWaalsContact O-N 3.16Å
116L84.9Confident83.8Confident0 Ų049.6 Ų49.60%031%0.309CS..Hα-helixtrans-75.5-20.2-179-68167.3000113.4V75 S112 Y113 L114 V118 L119 G120 G121 V122 F125V75-L116 HydrophobicContact CB-CD2 4.09Å; V75-L116 HydrophobicContact CB-CG 4.36Å; V75-L116 HydrophobicContact CG1-CD1 4.39Å; V75-L116 HydrophobicContact CG1-CD2 4.28Å; V75-L116 HydrophobicContact CG1-CG 4.05Å; V75-L116 HydrophobicContact CG2-CD2 3.97Å; S112-L116 WeakPolarHBondContact O-CB 3.42Å; S112-L116 VanDerWaalsContact O-CG 3.31Å; S112-L116 WeakPolarHBondContact O-CG 3.4Å; S112-L116 PolarHBondContact O-N 2.83Å; Y113-L116 PolarHBondContact O-N 2.78Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 3.25Å; L116-V118 VanDerWaalsContact C-N 3.33Å; L116-L119 HydrophobicContact CD2-CD1 4.35Å; L116-L119 PolarHBondContact O-N 2.85Å; L116-G120 PolarHBondContact O-N 3.11Å; L116-G121 PolarHBondContact O-N 3.24Å; L116-V122 WeakPolarHBondContact O-CG2 3.15Å; L116-F125 HydrophobicContact CD1-CB 3.54Å; L116-F125 HydrophobicContact CD1-CD2 3.5Å; L116-F125 HydrophobicContact CD1-CE2 4.46Å; L116-F125 HydrophobicContact CD1-CG 3.69Å
117T83.5Confident83.7Confident62 Ų6253.7 Ų53.738%0.3832%0.315SS..Hα-helixtrans-64.3-37.7166.960.20000112.3Y113 L114 F115 V122Y113-T117 HydrophobicContact CD1-CG2 4.07Å; Y113-T117 HydrophobicContact CE1-CG2 3.66Å; Y113-T117 HydrophobicContact CE2-CG2 4.24Å; Y113-T117 WeakPolarHBondContact O-CG2 3.45Å; Y113-T117 PolarHBondContact O-N 3.25Å; L114-T117 PolarHBondContact O-N 3.22Å; L114-T117 PolarHBondContact O-OG1 3.36Å; F115-T117 VanDerWaalsContact C-N 3.32Å; F115-T117 PolarHBondContact O-N 3.04Å; T117-V122 HydrophobicContact CG2-CG2 3.61Å
118V83.8Confident83.5Confident125 Ų12551.3 Ų51.376%0.75830%0.295SS*.Hα-helixtrans-73-36.2176.7-179.90000111.3L114 F115 L116L114-V118 PolarHBondContact O-N 3.37Å; F115-V118 PolarHBondContact O-N 3.15Å; L116-V118 VanDerWaalsContact C-N 3.33Å
119L80Confident83.3Confident83 Ų8351.4 Ų51.444%0.43530%0.296SS..Hα-helixtrans-87.7-2.2-176.1-64171.1000114.4L71 V75 F115 L116 G121L71-L119 HydrophobicContact CD1-CD1 4.4Å; L71-L119 HydrophobicContact CD2-CB 4.08Å; V75-L119 HydrophobicContact CG2-CD1 3.6Å; F115-L119 WeakPolarHBondContact O-CG 3.38Å; F115-L119 PolarHBondContact O-N 3.43Å; F115-L119 VanDerWaalsContact O-N 3.16Å; L116-L119 HydrophobicContact CD2-CD1 4.35Å; L116-L119 PolarHBondContact O-N 2.85Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 2.96Å
120G78.1Confident83.2Confident58 Ų5850 Ų5060%0.59829%0.291SS*.THydrogen-bonded Turntrans72.911.4-178.300000115L116L116-G120 PolarHBondContact O-N 3.11Å
121G80.8Confident83.1Confident1 Ų152.9 Ų52.91%0.0129%0.294CS..  trans-93.312-176.700000115.1L116 L119 A123 V124 F125L116-G121 PolarHBondContact O-N 3.24Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 2.96Å; G121-A123 VanDerWaalsContact C-N 3.34Å; G121-A123 PolarHBondContact O-N 3.47Å; G121-V124 PolarHBondContact O-N 3.27Å; G121-F125 PolarHBondContact O-N 3.5Å; G121-F125 VanDerWaalsContact O-N 3.16Å
122V81Confident83Confident32 Ų3251.2 Ų51.219%0.19428%0.281CS..Hα-helixtrans-58.2-42.5-170.1-1750000112.7Y113 L116 T117 V124 F125 L126Y113-V122 HydrophobicContact CD2-CG1 4.14Å; Y113-V122 HydrophobicContact CE2-CG1 3.54Å; L116-V122 WeakPolarHBondContact O-CG2 3.15Å; T117-V122 HydrophobicContact CG2-CG2 3.61Å; V122-V124 PolarHBondContact O-N 3.19Å; V122-F125 WeakPolarHBondContact O-CB 3.45Å; V122-F125 PolarHBondContact O-N 3.38Å; V122-L126 HydrophobicContact CG1-CD1 3.69Å; V122-L126 HydrophobicContact CG1-CG 3.99Å; V122-L126 WeakPolarHBondContact O-CB 3.45Å; V122-L126 WeakPolarHBondContact O-CG 3.16Å; V122-L126 PolarHBondContact O-N 2.88Å
123A79.6Confident83Confident49 Ų4953.8 Ų53.841%0.40529%0.293SS..Hα-helixtrans-60.9-44.9-177.800000111.6G121 F125 L126 F127G121-A123 VanDerWaalsContact C-N 3.34Å; G121-A123 PolarHBondContact O-N 3.47Å; A123-F125 VanDerWaalsContact C-N 3.35Å; A123-F125 PolarHBondContact O-N 3.1Å; A123-L126 PolarHBondContact O-N 2.95Å; A123-F127 HydrophobicContact CB-CD2 4.48Å; A123-F127 WeakPolarHBondContact O-CB 3.48Å; A123-F127 WeakPolarHBondContact O-CD2 3.32Å; A123-F127 PolarHBondContact O-N 3.2Å
124V78.6Confident82.9Confident2 Ų253.8 Ų53.81%0.01230%0.3CS..Hα-helixtrans-69.5-34.7179.2179.60000111.9V61 Q65 N68 L69 G121 V122 G128V61-V124 HydrophobicContact CG1-CG1 4.08Å; V61-V124 HydrophobicContact CG1-CG2 4.37Å; Q65-V124 HydrophobicContact CB-CG2 3.77Å; N68-V124 HydrophobicContact CB-CB 4.14Å; N68-V124 HydrophobicContact CB-CG2 3.43Å; N68-V124 VanDerWaalsContact CB-CG2 3.43Å; L69-V124 HydrophobicContact CB-CG1 3.98Å; L69-V124 HydrophobicContact CD1-CG1 3.99Å; G121-V124 PolarHBondContact O-N 3.27Å; V122-V124 PolarHBondContact O-N 3.19Å; V124-G128 WeakPolarHBondContact O-CA 3.39Å; V124-G128 PolarHBondContact O-N 3.3Å
125F82.4Confident82.8Confident5 Ų551.9 Ų51.92%0.02229%0.29CS..Hα-helixtrans-63.1-49.3171.7-177.5-103.7000112.2V76 L109 Y113 L116 G121 V122 A123 I129 A130V76-F125 HydrophobicContact CG2-CD2 3.92Å; V76-F125 HydrophobicContact CG2-CE2 3.75Å; L109-F125 HydrophobicContact CB-CZ 4.27Å; L109-F125 HydrophobicContact CD2-CE2 4.3Å; L109-F125 HydrophobicContact CD2-CZ 3.86Å; L109-F125 VanDerWaalsContact O-CZ 3.3Å; L109-F125 WeakPolarHBondContact O-CZ 3.24Å; Y113-F125 HydrophobicContact CD2-CD1 4.18Å; Y113-F125 HydrophobicContact CD2-CE1 4.38Å; L116-F125 HydrophobicContact CD1-CB 3.54Å; L116-F125 HydrophobicContact CD1-CD2 3.5Å; L116-F125 HydrophobicContact CD1-CE2 4.46Å; L116-F125 HydrophobicContact CD1-CG 3.69Å; G121-F125 PolarHBondContact O-N 3.5Å; G121-F125 VanDerWaalsContact O-N 3.16Å; V122-F125 WeakPolarHBondContact O-CB 3.45Å; V122-F125 PolarHBondContact O-N 3.38Å; A123-F125 VanDerWaalsContact C-N 3.35Å; A123-F125 PolarHBondContact O-N 3.1Å; F125-I129 HydrophobicContact CD2-CB 4.29Å; F125-I129 HydrophobicContact CD2-CD1 4.12Å; F125-I129 HydrophobicContact CE2-CB 4.41Å; F125-I129 HydrophobicContact CE2-CG2 4.24Å; F125-I129 WeakPolarHBondContact O-CA 3.49Å; F125-I129 WeakPolarHBondContact O-CB 3.29Å; F125-I129 PolarHBondContact O-N 3.03Å; F125-A130 HydrophobicContact CE1-CB 4.4Å; F125-A130 PolarHBondContact O-N 2.85Å
126L83.6Confident82.9Confident70 Ų7047.1 Ų47.137%0.36627%0.27SS..Iπ-helixtrans-64.7-50-177.4-73.2178.5000111.3Y113 V122 A123 A130 F131Y113-L126 HydrophobicContact CD2-CD2 4.2Å; Y113-L126 HydrophobicContact CE2-CD1 4.42Å; Y113-L126 HydrophobicContact CE2-CD2 4.17Å; Y113-L126 HydrophobicContact CE2-CG 4.44Å; V122-L126 HydrophobicContact CG1-CD1 3.69Å; V122-L126 HydrophobicContact CG1-CG 3.99Å; V122-L126 WeakPolarHBondContact O-CB 3.45Å; V122-L126 WeakPolarHBondContact O-CG 3.16Å; V122-L126 PolarHBondContact O-N 2.88Å; A123-L126 PolarHBondContact O-N 2.95Å; L126-A130 HydrophobicContact CD2-CB 4.43Å; L126-F131 WeakPolarHBondContact O-CB 3.31Å; L126-F131 PolarHBondContact O-N 2.87Å
127F81.8Confident82.9Confident126 Ų12650.7 Ų50.755%0.55329%0.288SS*.Iπ-helixtrans-84.6-31.6-175.6-68.5-69.9000113.7V61 A123 P132V61-F127 HydrophobicContact CG2-CB 4.17Å; A123-F127 HydrophobicContact CB-CD2 4.48Å; A123-F127 WeakPolarHBondContact O-CB 3.48Å; A123-F127 WeakPolarHBondContact O-CD2 3.32Å; A123-F127 PolarHBondContact O-N 3.2Å; F127-P132 VanDerWaalsContact O-CD 3.3Å; F127-P132 WeakPolarHBondContact O-CD 3.2Å
128G82.1Confident82.9Confident0 Ų052.5 Ų52.50%030%0.295CS..Iπ-helixtrans-89.4-25.3-177.200000114.2L58 V124 P132L58-G128 WeakPolarHBondContact CD1-O 3.41Å; V124-G128 WeakPolarHBondContact O-CA 3.39Å; V124-G128 PolarHBondContact O-N 3.3Å; G128-P132 WeakPolarHBondContact O-CG 3.08Å
129I82.9Confident82.9Confident17 Ų1748.3 Ų48.39%0.08727%0.267CS..Iπ-helixtrans-124.1-58.2-174.4-58179000111.3L58 V76 L109 F125 P132 I133L58-I129 HydrophobicContact CD1-CG1 4.26Å; V76-I129 HydrophobicContact CB-CD1 4.41Å; V76-I129 HydrophobicContact CG2-CD1 3.75Å; L109-I129 HydrophobicContact CD2-CG2 4.35Å; F125-I129 HydrophobicContact CD2-CB 4.29Å; F125-I129 HydrophobicContact CD2-CD1 4.12Å; F125-I129 HydrophobicContact CE2-CB 4.41Å; F125-I129 HydrophobicContact CE2-CG2 4.24Å; F125-I129 WeakPolarHBondContact O-CA 3.49Å; F125-I129 WeakPolarHBondContact O-CB 3.29Å; F125-I129 PolarHBondContact O-N 3.03Å; I129-P132 WeakPolarHBondContact O-CD 3.36Å; I129-I133 HydrophobicContact CG2-CD1 3.92Å; I129-I133 WeakPolarHBondContact O-CD1 3.42Å; I129-I133 VanDerWaalsContact O-CG1 3.24Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 2.79Å
130A84.3Confident82.9Confident17 Ų1744.4 Ų44.414%0.1425%0.246CC..Iπ-helixtrans-66.2-45.4-175.200000112.1F125 L126 I133 L134F125-A130 HydrophobicContact CE1-CB 4.4Å; F125-A130 PolarHBondContact O-N 2.85Å; L126-A130 HydrophobicContact CD2-CB 4.43Å; A130-I133 PolarHBondContact O-N 3.36Å; A130-L134 VanDerWaalsContact O-CG 3.3Å; A130-L134 WeakPolarHBondContact O-CG 3.42Å; A130-L134 PolarHBondContact O-N 2.64Å
131F85.4Confident82.9Confident93 Ų9342.1 Ų42.141%0.40822%0.221SC..Hα-helixtrans-63.3-47.8-178.2176-103.1000113L126 I133 L134 L135L126-F131 WeakPolarHBondContact O-CB 3.31Å; L126-F131 PolarHBondContact O-N 2.87Å; F131-I133 VanDerWaalsContact C-N 3.33Å; F131-I133 PolarHBondContact O-N 2.8Å; F131-L134 PolarHBondContact O-N 2.99Å; F131-L135 HydrophobicContact CD1-CD1 4Å; F131-L135 HydrophobicContact CD1-CG 4.44Å; F131-L135 HydrophobicContact CE1-CD1 3.39Å; F131-L135 HydrophobicContact CE1-CG 4.07Å; F131-L135 HydrophobicContact CE2-CD1 4.31Å; F131-L135 HydrophobicContact CE2-CD2 4.24Å; F131-L135 HydrophobicContact CE2-CG 4.16Å; F131-L135 HydrophobicContact CZ-CD1 3.58Å; F131-L135 HydrophobicContact CZ-CD2 4.1Å; F131-L135 HydrophobicContact CZ-CG 3.92Å; F131-L135 WeakPolarHBondContact O-CG 3.37Å; F131-L135 PolarHBondContact O-N 3.3Å
132P85.5Confident82.5Confident0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-57.4-42.5172.2-30.638.4000113.5F54 I57 F127 G128 I129 L134 L135 I136F54-P132 HydrophobicContact CD2-CB 3.48Å; F54-P132 VanDerWaalsContact CD2-CB 3.48Å; F54-P132 HydrophobicContact CD2-CG 4.37Å; F54-P132 HydrophobicContact CE2-CB 3.87Å; F54-P132 HydrophobicContact CE2-CG 4.45Å; F54-P132 HydrophobicContact CG-CB 4.46Å; I57-P132 HydrophobicContact CB-CG 3.85Å; I57-P132 HydrophobicContact CD1-CB 4.07Å; I57-P132 HydrophobicContact CD1-CG 4.03Å; I57-P132 HydrophobicContact CG2-CG 3.57Å; F127-P132 VanDerWaalsContact O-CD 3.3Å; F127-P132 WeakPolarHBondContact O-CD 3.2Å; G128-P132 WeakPolarHBondContact O-CG 3.08Å; I129-P132 WeakPolarHBondContact O-CD 3.36Å; P132-L134 VanDerWaalsContact C-N 3.34Å; P132-L134 PolarHBondContact O-N 2.87Å; P132-L135 PolarHBondContact O-N 2.77Å; P132-I136 WeakPolarHBondContact O-CB 3.35Å; P132-I136 WeakPolarHBondContact O-CD1 3.33Å; P132-I136 WeakPolarHBondContact O-CG1 3.46Å; P132-I136 PolarHBondContact O-N 2.95Å
133I85.5Confident82Confident53 Ų5343.5 Ų43.527%0.27223%0.227SC..Hα-helixtrans-62.2-44.3177-68.7168.7000110.3F54 L109 I129 A130 F131 I136 L137F54-I133 HydrophobicContact CE2-CG1 4.16Å; L109-I133 HydrophobicContact CD1-CD1 4.47Å; L109-I133 HydrophobicContact CD2-CD1 4.1Å; I129-I133 HydrophobicContact CG2-CD1 3.92Å; I129-I133 WeakPolarHBondContact O-CD1 3.42Å; I129-I133 VanDerWaalsContact O-CG1 3.24Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 2.79Å; A130-I133 PolarHBondContact O-N 3.36Å; F131-I133 VanDerWaalsContact C-N 3.33Å; F131-I133 PolarHBondContact O-N 2.8Å; I133-I136 PolarHBondContact O-N 3.13Å; I133-L137 HydrophobicContact CG2-CD1 4.05Å; I133-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 WeakPolarHBondContact O-CB 3.4Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.46Å; I133-L137 PolarHBondContact O-N 2.78Å
134L85.9Confident81.2Confident100 Ų10042.1 Ų42.152%0.52421%0.213SC..Hα-helixtrans-61.2-45.6176-71.9172.6000111.7A130 F131 P132 I136 L137 I138A130-L134 VanDerWaalsContact O-CG 3.3Å; A130-L134 WeakPolarHBondContact O-CG 3.42Å; A130-L134 PolarHBondContact O-N 2.64Å; F131-L134 PolarHBondContact O-N 2.99Å; P132-L134 VanDerWaalsContact C-N 3.34Å; P132-L134 PolarHBondContact O-N 2.87Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 PolarHBondContact O-N 3.04Å; L134-L137 PolarHBondContact O-N 3.48Å; L134-I138 WeakPolarHBondContact O-CB 3.19Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.25Å
135L85.5Confident80.4Confident71 Ų7147.1 Ų47.137%0.37223%0.232SC..Hα-helixtrans-60.5-43176.5-73.6-176.9000112.1I57 F131 P132 I138 H139I57-L135 HydrophobicContact CD1-CD1 4.07Å; F131-L135 HydrophobicContact CD1-CD1 4Å; F131-L135 HydrophobicContact CD1-CG 4.44Å; F131-L135 HydrophobicContact CE1-CD1 3.39Å; F131-L135 HydrophobicContact CE1-CG 4.07Å; F131-L135 HydrophobicContact CE2-CD1 4.31Å; F131-L135 HydrophobicContact CE2-CD2 4.24Å; F131-L135 HydrophobicContact CE2-CG 4.16Å; F131-L135 HydrophobicContact CZ-CD1 3.58Å; F131-L135 HydrophobicContact CZ-CD2 4.1Å; F131-L135 HydrophobicContact CZ-CG 3.92Å; F131-L135 WeakPolarHBondContact O-CG 3.37Å; F131-L135 PolarHBondContact O-N 3.3Å; P132-L135 PolarHBondContact O-N 2.77Å; L135-I138 PolarHBondContact O-N 3.36Å; L135-H139 WeakPolarHBondContact O-CB 3.49Å; L135-H139 PolarHBondContact O-N 2.85Å
136I86.6Confident79.2Confident26 Ų2650.2 Ų50.213%0.13325%0.253CS..Hα-helixtrans-61.3-45.5176.2-70.9164000110.5L43 Y50 F54 P132 I133 L134 H139 A140L43-I136 HydrophobicContact CD2-CG2 3.52Å; Y50-I136 HydrophobicContact CD1-CB 4.07Å; Y50-I136 HydrophobicContact CD1-CG1 3.73Å; Y50-I136 HydrophobicContact CD1-CG2 3.63Å; Y50-I136 HydrophobicContact CD2-CG2 4.11Å; Y50-I136 HydrophobicContact CE1-CB 4.43Å; Y50-I136 HydrophobicContact CE1-CG1 4.48Å; Y50-I136 HydrophobicContact CE1-CG2 3.97Å; Y50-I136 HydrophobicContact CE2-CG2 4.43Å; Y50-I136 HydrophobicContact CG-CG1 4.22Å; Y50-I136 HydrophobicContact CG-CG2 3.7Å; F54-I136 HydrophobicContact CB-CD1 4.15Å; F54-I136 HydrophobicContact CD2-CD1 4.36Å; P132-I136 WeakPolarHBondContact O-CB 3.35Å; P132-I136 WeakPolarHBondContact O-CD1 3.33Å; P132-I136 WeakPolarHBondContact O-CG1 3.46Å; P132-I136 PolarHBondContact O-N 2.95Å; I133-I136 PolarHBondContact O-N 3.13Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 PolarHBondContact O-N 3.04Å; I136-H139 PolarHBondContact O-N 2.94Å; I136-A140 WeakPolarHBondContact O-CB 3.41Å; I136-A140 PolarHBondContact O-N 3.08Å
137L84.1Confident77.7Confident74 Ų7449.8 Ų49.839%0.38725%0.251SS..Hα-helixtrans-67-38.8178.5-70.8175.9000112.2I39 L43 I133 L134 S141I39-L137 HydrophobicContact CG2-CD2 4.19Å; L43-L137 HydrophobicContact CD1-CD2 4.4Å; I133-L137 HydrophobicContact CG2-CD1 4.05Å; I133-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 WeakPolarHBondContact O-CB 3.4Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.46Å; I133-L137 PolarHBondContact O-N 2.78Å; L134-L137 PolarHBondContact O-N 3.48Å; L137-S141 WeakPolarHBondContact O-CA 3.12Å; L137-S141 WeakPolarHBondContact O-CB 3.5Å; L137-S141 PolarHBondContact O-N 3.02Å
138I83.4Confident76.3Confident101 Ų10147.8 Ų47.852%0.51824%0.242SC..Hα-helixtrans-63.2-49.5173.9-70.4165.6000109.4L134 L135 A140 S141 V142L134-I138 WeakPolarHBondContact O-CB 3.19Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.25Å; L135-I138 PolarHBondContact O-N 3.36Å; I138-A140 PolarHBondContact O-N 2.68Å; I138-S141 WeakPolarHBondContact O-CB 3.28Å; I138-S141 PolarHBondContact O-N 3.17Å; I138-S141 VanDerWaalsContact O-N 3.15Å; I138-V142 HydrophobicContact CG2-CG2 4.21Å; I138-V142 VanDerWaalsContact O-CG2 3.28Å; I138-V142 WeakPolarHBondContact O-CG2 3.28Å; I138-V142 PolarHBondContact O-N 2.77Å
139H83.6Confident75.1Confident37 Ų3752.1 Ų52.117%0.17127%0.266CS..Hα-helixtrans-61.3-46.6178.7-177.3-96.9000111.6F17 Y50 L135 I136 S141 V142 R143F17-H139 AromaticContact CD2-CE1 3.91Å; F17-H139 AromaticContact CE2-CE1 3.58Å; F17-H139 AromaticContact CE2-ND1 3.95Å; F17-H139 PolarHBondContact O-NE2 2.83Å; Y50-H139 HydrophobicContact CE1-CB 4.16Å; Y50-H139 AromaticContact CE1-ND1 3.27Å; Y50-H139 VanDerWaalsContact CE1-ND1 3.27Å; Y50-H139 WeakPolarHBondContact CE1-ND1 3.35Å; Y50-H139 AromaticContact CZ-ND1 3.44Å; Y50-H139 PolarHBondContact OH-ND1 3.31Å; L135-H139 WeakPolarHBondContact O-CB 3.49Å; L135-H139 PolarHBondContact O-N 2.85Å; I136-H139 PolarHBondContact O-N 2.94Å; H139-S141 VanDerWaalsContact C-N 3.26Å; H139-S141 PolarHBondContact O-N 2.91Å; H139-V142 PolarHBondContact O-N 3.45Å; H139-R143 WeakPolarHBondContact O-CB 3.42Å; H139-R143 PolarHBondContact O-N 3.2Å
140A81.3Confident73.8Confident0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-63.9-31.9175.700000112.5I39 N42 L43 Y50 I136 I138I39-A140 HydrophobicContact CG2-CB 4.2Å; N42-A140 HydrophobicContact CB-CB 4.06Å; N42-A140 PolarHBondContact ND2-O 2.68Å; L43-A140 HydrophobicContact CD2-CB 4.02Å; L43-A140 HydrophobicContact CG-CB 4.04Å; Y50-A140 WeakPolarHBondContact OH-CA 3.35Å; Y50-A140 PolarHBondContact OH-N 2.92Å; I136-A140 WeakPolarHBondContact O-CB 3.41Å; I136-A140 PolarHBondContact O-N 3.08Å; I138-A140 PolarHBondContact O-N 2.68Å
141S77.9Confident72.5Confident10 Ų1058.7 Ų58.77%0.0729%0.294CS..Hα-helixtrans-69.9-52.9174.8173.60000110.8W35 R38 L137 I138 H139W35-S141 PolarHBondContact NE1-OG 3.07Å; R38-S141 PolarHBondContact NE-O 3.33Å; R38-S141 PolarHBondContact NH2-O 2.87Å; L137-S141 WeakPolarHBondContact O-CA 3.12Å; L137-S141 WeakPolarHBondContact O-CB 3.5Å; L137-S141 PolarHBondContact O-N 3.02Å; I138-S141 WeakPolarHBondContact O-CB 3.28Å; I138-S141 PolarHBondContact O-N 3.17Å; I138-S141 VanDerWaalsContact O-N 3.15Å; H139-S141 VanDerWaalsContact C-N 3.26Å; H139-S141 PolarHBondContact O-N 2.91Å
142V71.8Confident71.1Confident41 Ų4159.1 Ų59.125%0.24830%0.297CS..Hα-helixtrans-78-26.4-169.6-174.80000111.9F24 A25 I138 H139 L144F24-V142 WeakPolarHBondContact CA-O 3.37Å; F24-V142 HydrophobicContact CB-CG1 3.56Å; F24-V142 HydrophobicContact CD1-CB 4.15Å; F24-V142 HydrophobicContact CD1-CG1 3.58Å; F24-V142 HydrophobicContact CG-CG1 3.94Å; A25-V142 PolarHBondContact N-O 3.4Å; I138-V142 HydrophobicContact CG2-CG2 4.21Å; I138-V142 VanDerWaalsContact O-CG2 3.28Å; I138-V142 WeakPolarHBondContact O-CG2 3.28Å; I138-V142 PolarHBondContact O-N 2.77Å; H139-V142 PolarHBondContact O-N 3.45Å; V142-L144 WeakPolarHBondContact O-CD1 3.44Å; V142-L144 PolarHBondContact O-N 3.38Å
143R70.6Confident70Confident22 Ų2264 Ų648%0.08332%0.323CS..BIsolated β-bridgetrans-67.7124.5-178.5-173.6163.4-175.4127.45.4112.2D16 F17 N42 Y46 H139D16-R143 PolarHBondContact O-NH1 2.95Å; D16-R143 PolarHBondContact O-NH2 3.21Å; D16-R143 IonicContact OD1-NH2 3.14Å; D16-R143 PolarHBondContact OD1-NH2 2.99Å; D16-R143 VanDerWaalsContact OD1-NH2 3.14Å; F17-R143 VanDerWaalsContact C-NH1 3.26Å; F17-R143 PolarHBondContact O-NH1 3.01Å; N42-R143 PolarHBondContact ND2-O 3.37Å; Y46-R143 VanDerWaalsContact CE2-CD 3.47Å; Y46-R143 PolarHBondContact OH-NE 3.16Å; Y46-R143 VanDerWaalsContact OH-NE 3.08Å; Y46-R143 PolarHBondContact OH-NH2 2.69Å; H139-R143 WeakPolarHBondContact O-CB 3.42Å; H139-R143 PolarHBondContact O-N 3.2Å
144L63.2Low68.7Low19 Ų1967.1 Ų67.110%0.09934%0.335CS..  trans-103.3114.4173.2-67.3104.1000112.2Q23 A25 V142 L147Q23-L144 HydrophobicContact CB-CB 4.42Å; Q23-L144 WeakPolarHBondContact O-CB 3.5Å; Q23-L144 WeakPolarHBondContact O-CD1 3.24Å; Q23-L144 PolarHBondContact O-N 3.31Å; A25-L144 VanDerWaalsContact CA-CD1 3.42Å; A25-L144 HydrophobicContact CB-CD1 3.15Å; A25-L144 HydrophobicContact CB-CD2 4.11Å; A25-L144 HydrophobicContact CB-CG 4.29Å; V142-L144 WeakPolarHBondContact O-CD1 3.44Å; V142-L144 PolarHBondContact O-N 3.38Å; L144-L147 HydrophobicContact CB-CB 4.16Å; L144-L147 HydrophobicContact CB-CG 4.42Å; L144-L147 HydrophobicContact CD2-CB 4Å; L144-L147 HydrophobicContact CD2-CD1 3.34Å; L144-L147 HydrophobicContact CD2-CG 3.32Å; L144-L147 HydrophobicContact CG-CD1 4.49Å; L144-L147 HydrophobicContact CG-CG 4.45Å
145R60.9Low67.5Low108 Ų10867.6 Ų67.641%0.40834%0.338SS..SBendtrans-99.5-34.1169.3-168.1173.9177.8-145.4-6.9112Y45Y45-R145 VanDerWaalsContact CG-NH1 3.27Å
146S57Low66.2Low69 Ų6970.6 Ų70.648%0.48335%0.349SS..Hα-helixtrans-83.4-14.8-177.467.70000114.4K150S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.34Å
147L52.4Low64.7Low62 Ų6272.8 Ų72.833%0.32537%0.367SS..Hα-helixtrans-76.5-31.3174.2-79.5-164.4000113L144 K150 L151L144-L147 HydrophobicContact CB-CB 4.16Å; L144-L147 HydrophobicContact CB-CG 4.42Å; L144-L147 HydrophobicContact CD2-CB 4Å; L144-L147 HydrophobicContact CD2-CD1 3.34Å; L144-L147 HydrophobicContact CD2-CG 3.32Å; L144-L147 HydrophobicContact CG-CD1 4.49Å; L144-L147 HydrophobicContact CG-CG 4.45Å; L147-K150 HydrophobicContact CD2-CB 4.4Å; L147-K150 HydrophobicContact CD2-CD 4.27Å; L147-K150 CarbonylContact O-C 3.43Å; L147-K150 PolarHBondContact O-N 3.03Å; L147-L151 WeakPolarHBondContact O-CA 3.45Å; L147-L151 WeakPolarHBondContact O-CB 3.07Å; L147-L151 VanDerWaalsContact O-CG 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.11Å
148K52Low63.5Low83 Ų8374.1 Ų74.136%0.36137%0.374SS..Hα-helixtrans-58.7-54.5168.4-89.2-160.6177.1-179.70110.2Q23 K150 L151 E152Q23-K148 VanDerWaalsContact CD-CG 3.49Å; Q23-K148 VanDerWaalsContact OE1-CG 3.27Å; K148-K150 PolarHBondContact O-N 2.85Å; K148-L151 CarbonylContact O-C 3.58Å; K148-L151 PolarHBondContact O-N 2.64Å; K148-L151 VanDerWaalsContact O-N 3.08Å; K148-E152 VanDerWaalsContact O-CB 3.28Å; K148-E152 WeakPolarHBondContact O-CB 3.32Å; K148-E152 WeakPolarHBondContact O-CG 3.4Å; K148-E152 PolarHBondContact O-N 3.24Å
149N56.9Low61.9Low92 Ų9270.7 Ų70.749%0.49236%0.363SS..Hα-helixtrans-60.8-34.4177.8-59.915.1000112.2N153N149-N153 WeakPolarHBondContact O-CB 3.24Å; N149-N153 PolarHBondContact O-N 3.04Å; N149-N153 PolarHBondContact O-ND2 3.35Å; N149-N153 PolarHBondContact O-OD1 3.21Å
150K55.6Low60.1Low87 Ų8775.7 Ų75.738%0.37839%0.39SS..Hα-helixtrans-78.1-27.7177.9-159176.8-172.6-169.10113.1R34 S146 L147 K148 K154R34-K150 VanDerWaalsContact NH2-NZ 3.12Å; S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.34Å; L147-K150 HydrophobicContact CD2-CB 4.4Å; L147-K150 HydrophobicContact CD2-CD 4.27Å; L147-K150 CarbonylContact O-C 3.43Å; L147-K150 PolarHBondContact O-N 3.03Å; K148-K150 PolarHBondContact O-N 2.85Å; K150-K154 WeakPolarHBondContact O-CB 3.07Å; K150-K154 VanDerWaalsContact O-CG 3.24Å; K150-K154 WeakPolarHBondContact O-CG 3.23Å; K150-K154 PolarHBondContact O-N 3.14Å
151L57.7Low58.5Low85 Ų8583.7 Ų83.745%0.44543%0.425SS..Hα-helixtrans-81.4-40.5174.5-81.5169.8000110.8L147 K148 K154 L155L147-L151 WeakPolarHBondContact O-CA 3.45Å; L147-L151 WeakPolarHBondContact O-CB 3.07Å; L147-L151 VanDerWaalsContact O-CG 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.11Å; K148-L151 CarbonylContact O-C 3.58Å; K148-L151 PolarHBondContact O-N 2.64Å; K148-L151 VanDerWaalsContact O-N 3.08Å; L151-K154 CarbonylContact O-C 3.53Å; L151-K154 PolarHBondContact O-N 3.16Å; L151-L155 WeakPolarHBondContact O-CA 3.19Å; L151-L155 WeakPolarHBondContact O-CB 3.15Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 3.27Å
152E56.3Low57.2Low102 Ų10292.3 Ų92.348%0.47746%0.456SS..Hα-helixtrans-61.9-50.6169.1-76.9171.8172.700108.9K148 K154 L155 E156K148-E152 VanDerWaalsContact O-CB 3.28Å; K148-E152 WeakPolarHBondContact O-CB 3.32Å; K148-E152 WeakPolarHBondContact O-CG 3.4Å; K148-E152 PolarHBondContact O-N 3.24Å; E152-K154 VanDerWaalsContact C-N 3.28Å; E152-K154 PolarHBondContact O-N 3.26Å; E152-L155 CarbonylContact O-C 3.38Å; E152-L155 PolarHBondContact O-N 3.31Å; E152-L155 VanDerWaalsContact O-N 3.11Å; E152-E156 VanDerWaalsContact O-CB 3.32Å; E152-E156 WeakPolarHBondContact O-CB 3.1Å; E152-E156 WeakPolarHBondContact O-CG 3.49Å; E152-E156 PolarHBondContact O-N 3.43Å
153N61.1Low56.5Low101 Ų10193.3 Ų93.354%0.5446%0.462SS..Hα-helixtrans-62-33.2174.9-67.9-4.1000112.8N149 S157N149-N153 WeakPolarHBondContact O-CB 3.24Å; N149-N153 PolarHBondContact O-N 3.04Å; N149-N153 PolarHBondContact O-ND2 3.35Å; N149-N153 PolarHBondContact O-OD1 3.21Å; N153-S157 WeakPolarHBondContact O-CB 3.13Å; N153-S157 PolarHBondContact O-N 3Å
154K59.4Low55.8Low119 Ų11997.1 Ų97.152%0.51749%0.49SS..Hα-helixtrans-77.8-32174-84.2-173.1172.5-68.80113K150 L151 E152 S157 I158K150-K154 WeakPolarHBondContact O-CB 3.07Å; K150-K154 VanDerWaalsContact O-CG 3.24Å; K150-K154 WeakPolarHBondContact O-CG 3.23Å; K150-K154 PolarHBondContact O-N 3.14Å; L151-K154 CarbonylContact O-C 3.53Å; L151-K154 PolarHBondContact O-N 3.16Å; E152-K154 VanDerWaalsContact C-N 3.28Å; E152-K154 PolarHBondContact O-N 3.26Å; K154-S157 PolarHBondContact O-N 3.17Å; K154-S157 PolarHBondContact O-OG 2.99Å; K154-S157 VanDerWaalsContact O-OG 3.04Å; K154-I158 VanDerWaalsContact O-CB 3.26Å; K154-I158 WeakPolarHBondContact O-CB 3.46Å; K154-I158 WeakPolarHBondContact O-CD1 3.3Å; K154-I158 WeakPolarHBondContact O-CG1 3.26Å; K154-I158 PolarHBondContact O-N 3.27Å
155L59.8Low55.4Low111 Ų111102.7 Ų102.758%0.58152%0.517SS*.Hα-helixtrans-77.2-29.6175.7-87.2163.9000110.8L151 E152 G159L151-L155 WeakPolarHBondContact O-CA 3.19Å; L151-L155 WeakPolarHBondContact O-CB 3.15Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 3.27Å; E152-L155 CarbonylContact O-C 3.38Å; E152-L155 PolarHBondContact O-N 3.31Å; E152-L155 VanDerWaalsContact O-N 3.11Å; L155-G159 WeakPolarHBondContact O-CA 3.33Å; L155-G159 PolarHBondContact O-N 3.33Å
156E59.2Low55.2Low133 Ų13398.6 Ų98.662%0.62151%0.508SS*.Hα-helixtrans-68.7-44.4164.8-75.7-179.1171.800109.2E152 I158 G159 L160E152-E156 VanDerWaalsContact O-CB 3.32Å; E152-E156 WeakPolarHBondContact O-CB 3.1Å; E152-E156 WeakPolarHBondContact O-CG 3.49Å; E152-E156 PolarHBondContact O-N 3.43Å; E156-I158 VanDerWaalsContact C-N 3.28Å; E156-I158 PolarHBondContact O-N 3.09Å; E156-G159 PolarHBondContact O-N 2.64Å; E156-L160 WeakPolarHBondContact O-CB 3.09Å; E156-L160 PolarHBondContact O-N 3.39Å
157S55.3Low55.4Low72 Ų7299 Ų9950%0.50350%0.504SS..Hα-helixtrans-66.7-28.5176.590.10000113.5N153 K154N153-S157 WeakPolarHBondContact O-CB 3.13Å; N153-S157 PolarHBondContact O-N 3Å; K154-S157 PolarHBondContact O-N 3.17Å; K154-S157 PolarHBondContact O-OG 2.99Å; K154-S157 VanDerWaalsContact O-OG 3.04Å
158I57.7Low55.7Low103 Ų103100.9 Ų100.953%0.52852%0.515SS..Hα-helixtrans-87.2-34.6175.5-68.3164.5000110.8K154 E156 K161K154-I158 VanDerWaalsContact O-CB 3.26Å; K154-I158 WeakPolarHBondContact O-CB 3.46Å; K154-I158 WeakPolarHBondContact O-CD1 3.3Å; K154-I158 WeakPolarHBondContact O-CG1 3.26Å; K154-I158 PolarHBondContact O-N 3.27Å; E156-I158 VanDerWaalsContact C-N 3.28Å; E156-I158 PolarHBondContact O-N 3.09Å; I158-K161 WeakPolarHBondContact O-CB 3.34Å; I158-K161 PolarHBondContact O-N 2.77Å
159G49.6Very low56.1Low28 Ų2899.7 Ų99.729%0.28951%0.512SS..Hα-helixtrans-74.6-25.8178.700000112.8L155 E156 K161 R162 T163L155-G159 WeakPolarHBondContact O-CA 3.33Å; L155-G159 PolarHBondContact O-N 3.33Å; E156-G159 PolarHBondContact O-N 2.64Å; G159-K161 PolarHBondContact O-N 2.97Å; G159-R162 CarbonylContact O-C 3.49Å; G159-R162 PolarHBondContact O-N 3.33Å; G159-T163 VanDerWaalsContact O-CG2 3.3Å; G159-T163 WeakPolarHBondContact O-CG2 3.4Å; G159-T163 PolarHBondContact O-N 2.83Å
160L46.3Very low56.5Low143 Ų143102 Ų10275%0.74952%0.52SS*.THydrogen-bonded Turntrans-60.1-28.5167.2-146.877.5000111.3E156E156-L160 WeakPolarHBondContact O-CB 3.09Å; E156-L160 PolarHBondContact O-N 3.39Å
161K46.8Very low56.8Low168 Ų168102.3 Ų102.373%0.7353%0.533SS*.THydrogen-bonded Turntrans-87-3.7173.8-71.6-168172-165.80114.3I158 G159I158-K161 WeakPolarHBondContact O-CB 3.34Å; I158-K161 PolarHBondContact O-N 2.77Å; G159-K161 PolarHBondContact O-N 2.97Å
162R50.6Low57.3Low191 Ų191104.2 Ų104.272%0.72154%0.543SS*.SBendtrans-142.227.7-174.2-70-78.7-176.1150.5-2.1112.9G159G159-R162 CarbonylContact O-C 3.49Å; G159-R162 PolarHBondContact O-N 3.33Å
163T58.9Low57Low61 Ų61102.4 Ų102.437%0.37455%0.551SS.*  trans-72.6145.516460.90000108.7G159 M165 G166 L167G159-T163 VanDerWaalsContact O-CG2 3.3Å; G159-T163 WeakPolarHBondContact O-CG2 3.4Å; G159-T163 PolarHBondContact O-N 2.83Å; T163-M165 PolarHBondContact O-N 3.4Å; T163-M165 VanDerWaalsContact O-N 3.09Å; T163-G166 WeakPolarHBondContact O-CA 3.38Å; T163-G166 PolarHBondContact O-N 3.04Å; T163-G166 PolarHBondContact OG1-N 2.95Å; T163-L167 PolarHBondContact O-N 2.93Å
164P55.3Low56.9Low103 Ų103104.2 Ų104.267%0.66956%0.556SS**Hα-helixtrans-53.4-31.2174.1-24.432.4000112.2L168P164-L168 WeakPolarHBondContact O-CB 3.47Å; P164-L168 WeakPolarHBondContact O-CG 3.24Å; P164-L168 PolarHBondContact O-N 2.99Å
165M54.2Low56.5Low136 Ų136107.4 Ų107.467%0.6757%0.573SS**Hα-helixtrans-72.9-37.2175.5-163.6153.9-174.400112.7T163 L168 L169T163-M165 PolarHBondContact O-N 3.4Å; T163-M165 VanDerWaalsContact O-N 3.09Å; M165-L168 PolarHBondContact O-N 3.39Å; M165-L169 HydrophobicContact CG-CD1 4.29Å; M165-L169 WeakPolarHBondContact O-CB 3.4Å; M165-L169 VanDerWaalsContact O-CG 3.24Å; M165-L169 WeakPolarHBondContact O-CG 3.38Å; M165-L169 PolarHBondContact O-N 2.85Å
166G56.1Low55.9Low21 Ų21110.3 Ų110.322%0.21658%0.584CS.*Hα-helixtrans-65.6-40.8171.900000112.8T163 L169 E170T163-G166 WeakPolarHBondContact O-CA 3.38Å; T163-G166 PolarHBondContact O-N 3.04Å; T163-G166 PolarHBondContact OG1-N 2.95Å; G166-L169 PolarHBondContact O-N 2.94Å; G166-E170 VanDerWaalsContact O-CB 3.23Å; G166-E170 WeakPolarHBondContact O-CB 3.23Å; G166-E170 PolarHBondContact O-N 2.97Å
167L61.5Low55.3Low77 Ų77113.6 Ų113.640%0.40360%0.599SS.*Hα-helixtrans-68.6-34.8173.8-72168.7000112.3T163 S171T163-L167 PolarHBondContact O-N 2.93Å; L167-S171 VanDerWaalsContact O-CB 3.29Å; L167-S171 WeakPolarHBondContact O-CB 3.33Å; L167-S171 PolarHBondContact O-N 3.25Å; L167-S171 PolarHBondContact O-OG 3.33Å
168L59.1Low54.5Low103 Ų103113.9 Ų113.954%0.53961%0.606SS.*Hα-helixtrans-64.9-45.7171.9-89.4163.7000111.5P164 M165 S171 L172P164-L168 WeakPolarHBondContact O-CB 3.47Å; P164-L168 WeakPolarHBondContact O-CG 3.24Å; P164-L168 PolarHBondContact O-N 2.99Å; M165-L168 PolarHBondContact O-N 3.39Å; L168-S171 WeakPolarHBondContact CA-OG 3.33Å; L168-S171 PolarHBondContact O-N 2.88Å; L168-S171 PolarHBondContact O-OG 2.92Å; L168-L172 WeakPolarHBondContact O-CB 3.46Å; L168-L172 WeakPolarHBondContact O-CD1 3.23Å; L168-L172 VanDerWaalsContact O-CG 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.29Å; L168-L172 PolarHBondContact O-N 3.1Å
169L61.2Low53.7Low58 Ų58112.4 Ų112.430%0.30462%0.616SS.*Hα-helixtrans-68.4-36.5178.3-71.6167.9000112.6M165 G166 L172 G173 Q174M165-L169 HydrophobicContact CG-CD1 4.29Å; M165-L169 WeakPolarHBondContact O-CB 3.4Å; M165-L169 VanDerWaalsContact O-CG 3.24Å; M165-L169 WeakPolarHBondContact O-CG 3.38Å; M165-L169 PolarHBondContact O-N 2.85Å; G166-L169 PolarHBondContact O-N 2.94Å; L169-L172 CarbonylContact O-C 3.56Å; L169-L172 PolarHBondContact O-N 3.13Å; L169-G173 PolarHBondContact O-N 3.4Å; L169-G173 VanDerWaalsContact O-N 3.13Å; L169-Q174 PolarHBondContact O-N 3.24Å; L169-Q174 VanDerWaalsContact O-N 3.1Å
170E65.9Low53.1Low140 Ų140120.4 Ų120.465%0.65467%0.667SS**Hα-helixtrans-65.4-40.9172.1-172.3175.5-17400111.1G166 L172 G173G166-E170 VanDerWaalsContact O-CB 3.23Å; G166-E170 WeakPolarHBondContact O-CB 3.23Å; G166-E170 PolarHBondContact O-N 2.97Å; E170-L172 VanDerWaalsContact C-N 3.27Å; E170-L172 PolarHBondContact O-N 3.29Å; E170-G173 PolarHBondContact O-N 2.73Å
171S61.3Low53.4Low94 Ų94119.3 Ų119.366%0.65766%0.663SS**Hα-helixtrans-69.8-22.4173.574.40000114L167 L168L167-S171 VanDerWaalsContact O-CB 3.29Å; L167-S171 WeakPolarHBondContact O-CB 3.33Å; L167-S171 PolarHBondContact O-N 3.25Å; L167-S171 PolarHBondContact O-OG 3.33Å; L168-S171 WeakPolarHBondContact CA-OG 3.33Å; L168-S171 PolarHBondContact O-N 2.88Å; L168-S171 PolarHBondContact O-OG 2.92Å
172L67Low53.8Low125 Ų125116.7 Ų116.765%0.65466%0.66SS**THydrogen-bonded Turntrans-922.4176.4-74.6163.3000112.9L168 L169 E170 Q174L168-L172 WeakPolarHBondContact O-CB 3.46Å; L168-L172 WeakPolarHBondContact O-CD1 3.23Å; L168-L172 VanDerWaalsContact O-CG 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.29Å; L168-L172 PolarHBondContact O-N 3.1Å; L169-L172 CarbonylContact O-C 3.56Å; L169-L172 PolarHBondContact O-N 3.13Å; E170-L172 VanDerWaalsContact C-N 3.27Å; E170-L172 PolarHBondContact O-N 3.29Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.06Å
173G51.8Low53.9Low63 Ų63112.6 Ų112.665%0.64966%0.656SS**THydrogen-bonded Turntrans71.418.917400000115.1L169 E170 E175L169-G173 PolarHBondContact O-N 3.4Å; L169-G173 VanDerWaalsContact O-N 3.13Å; E170-G173 PolarHBondContact O-N 2.73Å; G173-E175 PolarHBondContact O-N 2.85Å
174Q57.6Low53.7Low140 Ų140115.6 Ų115.665%0.65467%0.673SS**  trans-92.177.3172.9-65.9-157.5-57.100109.6L169 L172 Q176L169-Q174 PolarHBondContact O-N 3.24Å; L169-Q174 VanDerWaalsContact O-N 3.1Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.06Å; Q174-Q176 PolarHBondContact O-N 3.38Å
175E51.2Low53.6Low186 Ų186116.4 Ų116.487%0.86967%0.673SS**  trans-62.1123.3162.4-77-160.7155.600108.9G173 E177G173-E175 PolarHBondContact O-N 2.85Å; E175-E177 PolarHBondContact O-N 3.26Å
176Q47.5Very low53.5Low172 Ų172115.1 Ų115.180%0.80467%0.673SS**  trans-71.1100170.8-116.2162.9-30.800108.5Q174 A178Q174-Q176 PolarHBondContact O-N 3.38Å; Q176-A178 HydrophobicContact CB-CB 4.22Å; Q176-A178 HydrophobicContact CG-CB 4.22Å; Q176-A178 PolarHBondContact O-N 3.31Å
177E47.7Very low53.3Low202 Ų202121.8 Ų121.894%0.94471%0.706SS**  trans-54.582.8143.6-70.4-176.3163.500108.4E175E175-E177 PolarHBondContact O-N 3.26Å
178A38.5Very low52.7Low78 Ų78125.2 Ų125.265%0.64573%0.729SS**  trans-146.180.7172.600000109.9Q176Q176-A178 HydrophobicContact CB-CB 4.22Å; Q176-A178 HydrophobicContact CG-CB 4.22Å; Q176-A178 PolarHBondContact O-N 3.31Å
179G39.4Very low52.2Low72 Ų72127.1 Ų127.174%0.74275%0.745SS**  trans108.181.2146.200000116
180S37Very low51.4Low195 Ų195133.4 Ų133.4100%1.36479%0.785SS**  trans-48.10133.858.20000112.3

Retrieved 180 of 180 residues in 514.1 ms (Link to these results)