A0A096MNF5_PAPAN Loading...

Transport and golgi organization 6 homolog

AlphaFold DB , UniProt , Accession A0A096MNF5, Species PAPAN (Papio anubis, Olive baboon), Gene TANGO6, Length 1,095 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
1M36.9Very low28.8Very low250 Ų250128.7 Ų128.7100%1.23287%0.872SS**  0115.40-69.6-178.6-175.200108.6
2A25.6Very low29.1Very low101 Ų101126.6 Ų126.684%0.83587%0.87SS**  trans-177.3117.8159.200000105.7
3A27.8Very low29.8Very low98 Ų98130.7 Ų130.781%0.8187%0.868SS**PPolyproline II helixtrans-89130.6178.200000109.6
4P33.7Very low30.9Very low127 Ų127132.8 Ų132.883%0.82586%0.86SS**PPolyproline II helixtrans-74.5127.3165.930.7-30.4000108.9
5G27.6Very low32.5Very low74 Ų74130.6 Ų130.676%0.76384%0.843SS**PPolyproline II helixtrans-69.3150.917900000112.6A7G5-A7 PolarHBondContact O-N 3.41Å
6Q29.3Very low34.3Very low204 Ų204123.3 Ų123.395%0.95380%0.796SS**PPolyproline II helixtrans-63.5116.7171.3-69.6172.6-44.600110.1
7A27.2Very low36.4Very low97 Ų97118.2 Ų118.280%0.80277%0.772SS**PPolyproline II helixtrans-78.3130.4162.400000109.1G5G5-A7 PolarHBondContact O-N 3.41Å
8M25.5Very low38.8Very low192 Ų192112.8 Ų112.895%0.94674%0.735SS**PPolyproline II helixtrans-60.6141.1173.7-76.9177.2139.100110.8S10M8-S10 PolarHBondContact O-N 2.73Å
9G30.6Very low40.9Very low84 Ų84112.6 Ų112.687%0.86673%0.727SS**PPolyproline II helixtrans-67.5120-179.200000113.1
10S26.6Very low42.9Very low116 Ų116111 Ų11181%0.81171%0.706SS**PPolyproline II helixtrans-78.2143.6150.756.90000109.2M8M8-S10 PolarHBondContact O-N 2.73Å
11G26.2Very low44.7Very low73 Ų73105.7 Ų105.775%0.75367%0.672SS**PPolyproline II helixtrans-54.7142.5-16800000115.1Q13G11-Q13 PolarHBondContact O-N 3.11Å
12A32Very low46.9Very low103 Ų10393.9 Ų93.985%0.85161%0.614SS**  trans-62.9114.2174.900000110.6
13Q38.5Very low49.6Very low180 Ų18093.1 Ų93.184%0.84159%0.593SS**  trans-66.9130.7159.7-74174.6-48.600108.2G11 T15G11-Q13 PolarHBondContact O-N 3.11Å; Q13-T15 PolarHBondContact O-N 3.33Å
14E44.6Very low52.2Low160 Ų16088.5 Ų88.575%0.74856%0.555SS**  trans-64.299.7176.5-68.5-177.3156.200110.6C16 N70E14-C16 PolarHBondContact O-N 3.23Å; E14-N70 PolarHBondContact O-ND2 3.26Å; E14-N70 VanDerWaalsContact O-ND2 3.08Å
15T55.4Low54.6Low100 Ų10082.4 Ų82.461%0.61352%0.515SS*.PPolyproline II helixtrans-57131.4-178.150.60000111.6Q13 G17Q13-T15 PolarHBondContact O-N 3.33Å; T15-G17 PolarHBondContact O-N 2.94Å
16C61.4Low57.3Low14 Ų1483.7 Ų83.710%0.09550%0.5CS..PPolyproline II helixtrans-62.2128.9174.3-174.30000110.5E14 N70 T109E14-C16 PolarHBondContact O-N 3.23Å; C16-N70 HydrophobicContact CB-CB 4.5Å; C16-T109 WeakPolarHBondContact O-CG2 3.5Å
17G69.6Low59.8Low37 Ų3775.2 Ų75.238%0.38146%0.461SS..PPolyproline II helixtrans-69.6136.7177.700000112.4T15 D19 R20T15-G17 PolarHBondContact O-N 2.94Å; G17-D19 PolarHBondContact O-N 3.14Å; G17-R20 PolarHBondContact O-N 2.92Å
18L79.2Confident62.4Low21 Ų2170.6 Ų70.611%0.1142%0.423CS..Hα-helixtrans-50.8-42179.6-170.273.7000112.7R20 I21 L22 L106 M110 L113 L138L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.19Å; L18-I21 PolarHBondContact O-N 3.4Å; L18-L22 HydrophobicContact CD2-CD1 4.44Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 PolarHBondContact O-N 3.5Å; L18-L106 HydrophobicContact CD1-CD1 3.6Å; L18-L106 HydrophobicContact CG-CD1 4.43Å; L18-M110 HydrophobicContact CD1-CG 3.53Å; L18-M110 HydrophobicContact CD1-SD 4.32Å; L18-L113 HydrophobicContact CB-CD1 4.25Å; L18-L113 HydrophobicContact CD1-CD1 4.41Å; L18-L138 HydrophobicContact CD2-CD2 4.11Å
19D78.6Confident64.9Low108 Ų10863.3 Ų63.358%0.57839%0.388SS*.Hα-helixtrans-64.1-27.8-178.6-67.6-53.5000113.8G17 L22 E23 Q142G17-D19 PolarHBondContact O-N 3.14Å; D19-L22 CarbonylContact O-C 3.58Å; D19-L22 PolarHBondContact O-N 3.42Å; D19-E23 WeakPolarHBondContact O-CB 3.36Å; D19-E23 PolarHBondContact O-N 3.01Å; D19-Q142 PolarHBondContact OD1-NE2 2.73Å
20R81.7Confident67Low81 Ų8161.6 Ų61.631%0.30636%0.362SS..Hα-helixtrans-70.3-37177.5-67.7-172.3177.2159.87.1111.9G17 L18 L22 E23 A24 Q67G17-R20 PolarHBondContact O-N 2.92Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.19Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-E23 PolarHBondContact O-N 2.93Å; R20-A24 PolarHBondContact O-N 2.89Å; R20-Q67 PolarHBondContact NH1-O 3.01Å
21I81.7Confident68.8Low0 Ų062 Ų620%036%0.362CS..Hα-helixtrans-65.7-41.8174.2-58164.6000109.5L18 E23 A24 L25 L71 C105 L106 T109L18-I21 PolarHBondContact O-N 3.4Å; I21-E23 VanDerWaalsContact C-N 3.34Å; I21-A24 WeakPolarHBondContact O-CB 3.15Å; I21-A24 PolarHBondContact O-N 3.27Å; I21-L25 HydrophobicContact CG2-CD1 4.38Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 3.45Å; I21-L71 HydrophobicContact CD1-CD1 4.49Å; I21-L71 HydrophobicContact CG1-CD1 3.6Å; I21-C105 HydrophobicContact CD1-CB 4.44Å; I21-L106 HydrophobicContact CB-CD1 4.15Å; I21-L106 HydrophobicContact CG2-CB 3.89Å; I21-L106 HydrophobicContact CG2-CD1 3.85Å; I21-L106 HydrophobicContact CG2-CG 4.46Å; I21-T109 HydrophobicContact CD1-CG2 4.01Å; I21-T109 WeakPolarHBondContact CD1-OG1 3.41Å
22L82.3Confident70.1Confident2 Ų260.1 Ų60.11%0.0134%0.342CS..Hα-helixtrans-70.6-29.1177.9-65.5164.1000112.4L18 D19 R20 L25 K26 L106 L138 Q142 V146L18-L22 HydrophobicContact CD2-CD1 4.44Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 PolarHBondContact O-N 3.5Å; D19-L22 CarbonylContact O-C 3.58Å; D19-L22 PolarHBondContact O-N 3.42Å; R20-L22 VanDerWaalsContact C-N 3.32Å; L22-L25 HydrophobicContact CD2-CD1 4.41Å; L22-K26 WeakPolarHBondContact O-CB 3.25Å; L22-K26 VanDerWaalsContact O-CG 3.25Å; L22-K26 WeakPolarHBondContact O-CG 3.25Å; L22-K26 PolarHBondContact O-N 3.19Å; L22-L106 HydrophobicContact CD2-CD1 4.14Å; L22-L106 HydrophobicContact CD2-CD2 4.37Å; L22-L106 HydrophobicContact CG-CD1 4.13Å; L22-L138 HydrophobicContact CD1-CD2 4.37Å; L22-Q142 HydrophobicContact CD1-CB 3.93Å; L22-Q142 HydrophobicContact CD1-CG 3.72Å; L22-V146 HydrophobicContact CD2-CG2 3.74Å
23E82.9Confident70.7Confident85 Ų8559.4 Ų59.440%0.39735%0.345SS..Hα-helixtrans-68.5-42.4169.6-161.7-165.8142.400111.7D19 R20 I21 L25 K26 L27 K61 W68D19-E23 WeakPolarHBondContact O-CB 3.36Å; D19-E23 PolarHBondContact O-N 3.01Å; R20-E23 PolarHBondContact O-N 2.93Å; I21-E23 VanDerWaalsContact C-N 3.34Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 2.9Å; E23-K26 PolarHBondContact O-N 3.2Å; E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 PolarHBondContact O-N 3.38Å; E23-K61 IonicContact OE1-NZ 2.82Å; E23-K61 PolarHBondContact OE1-NZ 2.85Å; E23-W68 HydrophobicContact CB-CH2 4.46Å; E23-W68 HydrophobicContact CB-CZ2 4.43Å; E23-W68 HydrophobicContact CG-CZ2 4.31Å
24A82.3Confident70.9Confident0 Ų055.5 Ų55.50%034%0.338CS..Hα-helixtrans-58.9-44.9173.700000111.8R20 I21 L27 L28 L58 W68 L71 L102R20-A24 PolarHBondContact O-N 2.89Å; I21-A24 WeakPolarHBondContact O-CB 3.15Å; I21-A24 PolarHBondContact O-N 3.27Å; A24-L27 PolarHBondContact O-N 3.47Å; A24-L28 PolarHBondContact O-N 3.42Å; A24-L28 VanDerWaalsContact O-N 3.11Å; A24-L58 HydrophobicContact CB-CD1 4Å; A24-W68 HydrophobicContact CB-CH2 3.87Å; A24-W68 HydrophobicContact CB-CZ3 3.59Å; A24-L71 HydrophobicContact CB-CD2 3.96Å; A24-L102 HydrophobicContact CB-CD1 4.03Å; A24-L102 HydrophobicContact CB-CD2 4.21Å
25L84.2Confident70.7Confident0 Ų052.1 Ų52.10%035%0.346CS..Hα-helixtrans-64.7-39.3175.5-71175.3000112.7I21 L22 E23 L27 L28 L29 L102 L103 L106 V149I21-L25 HydrophobicContact CG2-CD1 4.38Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 3.45Å; L22-L25 HydrophobicContact CD2-CD1 4.41Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.02Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.22Å; L25-L29 VanDerWaalsContact O-N 3.15Å; L25-L102 HydrophobicContact CD2-CB 3.65Å; L25-L102 HydrophobicContact CD2-CD1 4Å; L25-L102 HydrophobicContact CG-CB 4.26Å; L25-L103 HydrophobicContact CD1-CD2 4.32Å; L25-L106 HydrophobicContact CD1-CD2 4.46Å; L25-V149 HydrophobicContact CB-CG2 3.88Å; L25-V149 HydrophobicContact CD1-CG2 4.27Å; L25-V149 HydrophobicContact CD2-CG1 3.92Å; L25-V149 HydrophobicContact CD2-CG2 3.93Å; L25-V149 HydrophobicContact CG-CG2 4.24Å
26K83.4Confident69.8Low101 Ų10151.2 Ų51.244%0.43934%0.344SS..Hα-helixtrans-64.8-36.5173.5-76.3169.4-174.7172.40112.8L22 E23 L29 S30 T145L22-K26 WeakPolarHBondContact O-CB 3.25Å; L22-K26 VanDerWaalsContact O-CG 3.25Å; L22-K26 WeakPolarHBondContact O-CG 3.25Å; L22-K26 PolarHBondContact O-N 3.19Å; E23-K26 PolarHBondContact O-N 3.2Å; K26-L29 CarbonylContact O-C 3.38Å; K26-L29 PolarHBondContact O-N 3.36Å; K26-S30 PolarHBondContact O-N 3.43Å; K26-S30 VanDerWaalsContact O-N 3.08Å; K26-T145 HydrophobicContact CD-CG2 4.4Å; K26-T145 VanDerWaalsContact CE-OG1 3.23Å; K26-T145 WeakPolarHBondContact CE-OG1 3.35Å; K26-T145 HydrophobicContact CG-CG2 3.57Å
27L82.9Confident68.8Low25 Ų2556.7 Ų56.713%0.13138%0.382CS..Hα-helixtrans-65.5-44.8177.8-174.3153.4000110.9E23 A24 L25 L29 S30 N54 A57 L58 K61E23-L27 WeakPolarHBondContact O-CB 3.49Å; E23-L27 PolarHBondContact O-N 3.38Å; A24-L27 PolarHBondContact O-N 3.47Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L27-L29 VanDerWaalsContact C-N 3.26Å; L27-L29 PolarHBondContact O-N 3.44Å; L27-S30 WeakPolarHBondContact O-CB 3.31Å; L27-S30 PolarHBondContact O-N 3.08Å; L27-S30 VanDerWaalsContact O-N 3.15Å; L27-S30 PolarHBondContact O-OG 3.29Å; L27-N54 WeakPolarHBondContact CD2-O 3.49Å; L27-A57 HydrophobicContact CD2-CB 3.95Å; L27-L58 HydrophobicContact CD2-CB 3.93Å; L27-K61 HydrophobicContact CD1-CD 3.65Å; L27-K61 VanDerWaalsContact CD1-CE 3.47Å; L27-K61 HydrophobicContact CD1-CG 4.24Å
28L80.2Confident67.4Low1 Ų158.3 Ų58.31%0.00539%0.387CS..Hα-helixtrans-61.4-33174-73.5-179.1000113.3A24 L25 N54 L55 L58 F95 T99 L102A24-L28 PolarHBondContact O-N 3.42Å; A24-L28 VanDerWaalsContact O-N 3.11Å; L25-L28 PolarHBondContact O-N 3.02Å; L28-N54 PolarHBondContact O-ND2 2.79Å; L28-L55 HydrophobicContact CD2-CD2 4.27Å; L28-L58 HydrophobicContact CD1-CD2 3.95Å; L28-L58 HydrophobicContact CD2-CB 4.19Å; L28-L58 HydrophobicContact CD2-CD2 3.84Å; L28-L58 HydrophobicContact CG-CD2 3.98Å; L28-F95 HydrophobicContact CB-CE2 3.94Å; L28-F95 HydrophobicContact CB-CZ 4.26Å; L28-F95 HydrophobicContact CD2-CD2 4.36Å; L28-F95 HydrophobicContact CD2-CE2 4.08Å; L28-F95 HydrophobicContact CG-CE2 4.49Å; L28-F95 WeakPolarHBondContact O-CE2 3.41Å; L28-T99 HydrophobicContact CB-CG2 4.47Å; L28-T99 HydrophobicContact CD1-CG2 3.61Å; L28-L102 HydrophobicContact CD1-CD1 3.61Å
29L77.8Confident65.7Low39 Ų3965.6 Ų65.620%0.20443%0.426CS..THydrogen-bonded Turntrans-86.60.2177.1-68.8-179.3000114.7L25 K26 L27 F148 V149 F152L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.22Å; L25-L29 VanDerWaalsContact O-N 3.15Å; K26-L29 CarbonylContact O-C 3.38Å; K26-L29 PolarHBondContact O-N 3.36Å; L27-L29 VanDerWaalsContact C-N 3.26Å; L27-L29 PolarHBondContact O-N 3.44Å; L29-F148 HydrophobicContact CD1-CB 3.76Å; L29-V149 HydrophobicContact CD1-CB 4.46Å; L29-V149 HydrophobicContact CD1-CG2 3.54Å; L29-V149 HydrophobicContact CG-CG2 4.14Å; L29-F152 HydrophobicContact CD2-CB 4.41Å; L29-F152 HydrophobicContact CD2-CD2 3.38Å; L29-F152 HydrophobicContact CD2-CE2 3.72Å; L29-F152 HydrophobicContact CD2-CG 3.94Å
30S75.9Confident64Low47 Ų4769.6 Ų69.633%0.32944%0.441SS..  trans-65.7131.6-174.5640000111.5K26 L27 G32 N54K26-S30 PolarHBondContact O-N 3.43Å; K26-S30 VanDerWaalsContact O-N 3.08Å; L27-S30 WeakPolarHBondContact O-CB 3.31Å; L27-S30 PolarHBondContact O-N 3.08Å; L27-S30 VanDerWaalsContact O-N 3.15Å; L27-S30 PolarHBondContact O-OG 3.29Å; S30-G32 PolarHBondContact O-N 3.31Å; S30-G32 VanDerWaalsContact O-N 3.17Å; S30-N54 PolarHBondContact O-ND2 3.3Å
31P63.2Low62.5Low126 Ų12669.4 Ų69.482%0.81845%0.448SS*.  trans-68.3115.7174.327.3-32.2000108.3G33P31-G33 PolarHBondContact O-N 3.24Å
32G53.5Low61.4Low32 Ų3272.6 Ų72.633%0.3347%0.468SS..  trans-55.4121.6-168.800000113.3S30 S34S30-G32 PolarHBondContact O-N 3.31Å; S30-G32 VanDerWaalsContact O-N 3.17Å; G32-S34 PolarHBondContact O-N 3.33Å
33G46.3Very low60.4Low89 Ų8980 Ų8092%0.91850%0.5SS*.  trans-73.950.217800000114.3P31 G35P31-G33 PolarHBondContact O-N 3.24Å; G33-G35 PolarHBondContact O-N 2.83Å
34S41.4Very low59.6Low97 Ų9778.7 Ų78.768%0.67849%0.494SS*.  trans-89.192.3175-101.30000111.2G32 S36G32-S34 PolarHBondContact O-N 3.33Å; S34-S36 PolarHBondContact O-N 3.23Å
35G40.3Very low58.8Low89 Ų8982.6 Ų82.692%0.91852%0.515SS*.  trans-72.646.9169.800000113.7G33G33-G35 PolarHBondContact O-N 2.83Å
36S38.1Very low58.2Low82 Ų8286.2 Ų86.257%0.57354%0.537SS*.  trans-109.587.1-178.159.50000111.3S34 S38S34-S36 PolarHBondContact O-N 3.23Å; S36-S38 VanDerWaalsContact C-N 3.35Å; S36-S38 PolarHBondContact O-N 3.31Å
37S38.8Very low57.9Low129 Ų12982.6 Ų82.690%0.90252%0.522SS*.  trans-72.783.3171.356.20000111.3
38S40.6Very low57.5Low70 Ų7083.6 Ų83.649%0.4953%0.528SS..  trans-118.8113.516856.80000110.2S36S36-S38 VanDerWaalsContact C-N 3.35Å; S36-S38 PolarHBondContact O-N 3.31Å
39L44Very low57.4Low174 Ų17486.2 Ų86.291%0.91155%0.549SS*.THydrogen-bonded Turntrans-60.2136.8172.9-65116.5000109.6
40Q42.8Very low57.5Low193 Ų19386 Ų8690%0.90255%0.55SS*.THydrogen-bonded Turntrans99.310-177.8-56.5-175.4-10.200118.7
41V50Low57.7Low76 Ų7684.2 Ų84.246%0.46154%0.536SS..  trans-83.8124.5166.4-171.20000109.5D45 V46V41-D45 HydrophobicContact CG1-CB 3.59Å; V41-V46 HydrophobicContact CB-CG2 4.29Å; V41-V46 HydrophobicContact CG1-CG2 3.56Å
42T58Low58.6Low68 Ų6884.2 Ų84.242%0.41752%0.523SS..  trans-74.7157.9177.777.80000110.6H44 D45 V46T42-H44 PolarHBondContact O-N 3.29Å; T42-H44 PolarHBondContact OG1-ND1 2.81Å; T42-D45 WeakPolarHBondContact CB-OD2 3.45Å; T42-D45 PolarHBondContact N-OD2 3.15Å; T42-D45 VanDerWaalsContact N-OD2 3.11Å; T42-D45 PolarHBondContact O-N 3.32Å; T42-D45 PolarHBondContact OG1-OD2 3.28Å; T42-V46 PolarHBondContact O-N 3.41Å
43K62.1Low60Low157 Ų15785.6 Ų85.668%0.68353%0.528SS*.Hα-helixtrans-55.4-27.2178.7-68.7-174178.3-177.20112.6L47 V179K43-L47 PolarHBondContact O-N 2.98Å; K43-V179 HydrophobicContact CB-CG1 4.15Å; K43-V179 HydrophobicContact CB-CG2 4.4Å; K43-V179 HydrophobicContact CD-CG2 4.45Å
44H65.4Low61.9Low58 Ų5881.7 Ų81.727%0.26949%0.486SS..Hα-helixtrans-68.2-46.6176.9-49.2111.8000112.5T42 V46 L47 L48 V179 V183T42-H44 PolarHBondContact O-N 3.29Å; T42-H44 PolarHBondContact OG1-ND1 2.81Å; H44-V46 PolarHBondContact O-N 3.06Å; H44-L47 WeakPolarHBondContact O-CB 3.41Å; H44-L47 PolarHBondContact O-N 3.18Å; H44-L48 PolarHBondContact O-N 2.91Å; H44-V179 PolarHBondContact CD2-O 3.19Å; H44-V183 HydrophobicContact CB-CG2 3.66Å
45D65Low63.8Low81 Ų8178.1 Ų78.143%0.43346%0.459SS..Hα-helixtrans-67.9-36.7-177-54.9-60.2000111.6V41 T42 L47 L48 A49V41-D45 HydrophobicContact CG1-CB 3.59Å; T42-D45 WeakPolarHBondContact CB-OD2 3.45Å; T42-D45 PolarHBondContact N-OD2 3.15Å; T42-D45 VanDerWaalsContact N-OD2 3.11Å; T42-D45 PolarHBondContact O-N 3.32Å; T42-D45 PolarHBondContact OG1-OD2 3.28Å; D45-L47 VanDerWaalsContact C-N 3.33Å; D45-L47 PolarHBondContact O-N 3.39Å; D45-L48 PolarHBondContact O-N 3.46Å; D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.37Å; D45-A49 PolarHBondContact O-N 2.94Å
46V73.2Confident65.8Low77 Ų7776.8 Ų76.847%0.46744%0.436SS..Hα-helixtrans-61.8-40.9173.6-176.90000111.1V41 T42 H44 T50V41-V46 HydrophobicContact CB-CG2 4.29Å; V41-V46 HydrophobicContact CG1-CG2 3.56Å; T42-V46 PolarHBondContact O-N 3.41Å; H44-V46 PolarHBondContact O-N 3.06Å; V46-T50 WeakPolarHBondContact O-CB 3.29Å; V46-T50 PolarHBondContact O-N 2.61Å; V46-T50 PolarHBondContact O-OG1 3.36Å
47L75.8Confident67.9Low25 Ų2574.7 Ų74.713%0.13142%0.423CS..Hα-helixtrans-63.8-51.4177.2-168.999.9000110.9K43 H44 D45 A49 T50 L51 F176 V183K43-L47 PolarHBondContact O-N 2.98Å; H44-L47 WeakPolarHBondContact O-CB 3.41Å; H44-L47 PolarHBondContact O-N 3.18Å; D45-L47 VanDerWaalsContact C-N 3.33Å; D45-L47 PolarHBondContact O-N 3.39Å; L47-A49 VanDerWaalsContact C-N 3.35Å; L47-A49 PolarHBondContact O-N 3.31Å; L47-T50 WeakPolarHBondContact O-CB 3.45Å; L47-T50 PolarHBondContact O-N 3.33Å; L47-T50 VanDerWaalsContact O-N 3.17Å; L47-L51 HydrophobicContact CD2-CD1 4.15Å; L47-L51 HydrophobicContact CG-CD1 4.34Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.85Å; L47-F176 HydrophobicContact CD1-CD2 4.5Å; L47-F176 HydrophobicContact CD1-CE2 3.4Å; L47-F176 HydrophobicContact CD1-CZ 3.62Å; L47-V183 HydrophobicContact CD2-CG1 4.04Å; L47-V183 HydrophobicContact CD2-CG2 4.45Å
48L75.3Confident69.9Low46 Ų4668.7 Ų68.724%0.24138%0.381CS..Hα-helixtrans-61.5-40.8179.4-76.5173.8000112.5H44 D45 T50 L51 K52 V91 T92 V183H44-L48 PolarHBondContact O-N 2.91Å; D45-L48 PolarHBondContact O-N 3.46Å; L48-T50 VanDerWaalsContact C-N 3.34Å; L48-L51 PolarHBondContact O-N 3.15Å; L48-K52 WeakPolarHBondContact O-CG 3.49Å; L48-K52 PolarHBondContact O-N 3.39Å; L48-V91 HydrophobicContact CD2-CB 4.03Å; L48-V91 HydrophobicContact CD2-CG1 4.38Å; L48-V91 HydrophobicContact CD2-CG2 4.41Å; L48-T92 HydrophobicContact CD2-CG2 4.23Å; L48-V183 HydrophobicContact CD1-CG1 4.07Å; L48-V183 HydrophobicContact CD2-CG1 3.54Å; L48-V183 HydrophobicContact CG-CG1 3.64Å
49A77Confident71.8Confident56 Ų5671 Ų7146%0.46338%0.384SS..Hα-helixtrans-63-40.7174.900000111.9D45 L47 S53D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.37Å; D45-A49 PolarHBondContact O-N 2.94Å; L47-A49 VanDerWaalsContact C-N 3.35Å; L47-A49 PolarHBondContact O-N 3.31Å; A49-S53 WeakPolarHBondContact O-CB 3.46Å; A49-S53 PolarHBondContact O-N 2.84Å
50T80.6Confident73.5Confident34 Ų3466.2 Ų66.221%0.20936%0.359CS..Hα-helixtrans-64.8-47.6177-570000111.5V46 L47 L48 K52 S53 N54V46-T50 WeakPolarHBondContact O-CB 3.29Å; V46-T50 PolarHBondContact O-N 2.61Å; V46-T50 PolarHBondContact O-OG1 3.36Å; L47-T50 WeakPolarHBondContact O-CB 3.45Å; L47-T50 PolarHBondContact O-N 3.33Å; L47-T50 VanDerWaalsContact O-N 3.17Å; L48-T50 VanDerWaalsContact C-N 3.34Å; T50-K52 PolarHBondContact O-N 3.44Å; T50-S53 WeakPolarHBondContact O-CB 3.39Å; T50-S53 PolarHBondContact O-N 2.87Å; T50-N54 WeakPolarHBondContact O-CB 3.34Å; T50-N54 VanDerWaalsContact O-CG 3.26Å; T50-N54 PolarHBondContact O-N 3.39Å; T50-N54 PolarHBondContact O-OD1 2.99Å
51L80.8Confident75.3Confident9 Ų959.8 Ų59.85%0.04733%0.329CS..Hα-helixtrans-62-41.3178.4-64.9176.1000112.1L47 L48 N54 L55 V91 T92 F95L47-L51 HydrophobicContact CD2-CD1 4.15Å; L47-L51 HydrophobicContact CG-CD1 4.34Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.85Å; L48-L51 PolarHBondContact O-N 3.15Å; L51-N54 PolarHBondContact O-N 2.94Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.21Å; L51-V91 HydrophobicContact CB-CG1 3.83Å; L51-T92 HydrophobicContact CD1-CG2 4.32Å; L51-F95 HydrophobicContact CD2-CD1 4.02Å; L51-F95 HydrophobicContact CD2-CD2 3.71Å; L51-F95 HydrophobicContact CD2-CE1 4.04Å; L51-F95 HydrophobicContact CD2-CE2 3.73Å; L51-F95 HydrophobicContact CD2-CG 3.86Å; L51-F95 HydrophobicContact CD2-CZ 3.9Å
52K82.2Confident76.7Confident126 Ų12657.1 Ų57.155%0.54831%0.311SS..Hα-helixtrans-61.2-46173-73.6-177.8-174.3-177.40112.1L48 T50 N54 L55 S56 V91L48-K52 WeakPolarHBondContact O-CG 3.49Å; L48-K52 PolarHBondContact O-N 3.39Å; T50-K52 PolarHBondContact O-N 3.44Å; K52-N54 VanDerWaalsContact C-N 3.34Å; K52-N54 PolarHBondContact O-N 3.42Å; K52-L55 PolarHBondContact O-N 3.49Å; K52-S56 PolarHBondContact O-N 2.93Å; K52-S56 PolarHBondContact O-OG 2.67Å; K52-V91 HydrophobicContact CD-CG2 4.23Å; K52-V91 HydrophobicContact CG-CB 4.48Å; K52-V91 HydrophobicContact CG-CG1 3.68Å; K52-V91 HydrophobicContact CG-CG2 3.88Å
53S83.1Confident77.5Confident61 Ų6160.1 Ų60.143%0.42732%0.323SS..Hα-helixtrans-59.9-45.8179.1-169.20000111.2A49 T50 L55 S56 A57A49-S53 WeakPolarHBondContact O-CB 3.46Å; A49-S53 PolarHBondContact O-N 2.84Å; T50-S53 WeakPolarHBondContact O-CB 3.39Å; T50-S53 PolarHBondContact O-N 2.87Å; S53-L55 PolarHBondContact O-N 2.97Å; S53-S56 PolarHBondContact O-N 2.8Å; S53-S56 PolarHBondContact O-OG 3.02Å; S53-A57 WeakPolarHBondContact O-CB 3.43Å; S53-A57 PolarHBondContact O-N 3.29Å
54N84.9Confident78.1Confident8 Ų859.7 Ų59.74%0.04332%0.322CS..Hα-helixtrans-66.9-37.5-178.6-68.69.4000112.5L27 L28 S30 T50 L51 K52 L58L27-N54 WeakPolarHBondContact CD2-O 3.49Å; L28-N54 PolarHBondContact O-ND2 2.79Å; S30-N54 PolarHBondContact O-ND2 3.3Å; T50-N54 WeakPolarHBondContact O-CB 3.34Å; T50-N54 VanDerWaalsContact O-CG 3.26Å; T50-N54 PolarHBondContact O-N 3.39Å; T50-N54 PolarHBondContact O-OD1 2.99Å; L51-N54 PolarHBondContact O-N 2.94Å; K52-N54 VanDerWaalsContact C-N 3.34Å; K52-N54 PolarHBondContact O-N 3.42Å; N54-L58 PolarHBondContact O-N 3.47Å
55L82.1Confident78.6Confident22 Ų2259.5 Ų59.512%0.11532%0.323CS..Hα-helixtrans-63.1-51.1171.4-78.6170.2000111.7L28 L51 K52 S53 A57 L58 E59 F95 E98L28-L55 HydrophobicContact CD2-CD2 4.27Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.21Å; K52-L55 PolarHBondContact O-N 3.49Å; S53-L55 PolarHBondContact O-N 2.97Å; L55-A57 VanDerWaalsContact C-N 3.29Å; L55-A57 PolarHBondContact O-N 3.44Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 3.34Å; L55-L58 VanDerWaalsContact O-N 3.08Å; L55-E59 PolarHBondContact O-N 3.04Å; L55-F95 HydrophobicContact CD1-CB 4.21Å; L55-F95 HydrophobicContact CG-CD2 4.31Å; L55-E98 HydrophobicContact CD2-CB 4.16Å; L55-E98 HydrophobicContact CD2-CG 3.88Å
56S81.9Confident78.8Confident61 Ų6159.8 Ų59.843%0.42733%0.329SS..Hα-helixtrans-62.7-35-179.666.10000112.8K52 S53 L58 E59 D60K52-S56 PolarHBondContact O-N 2.93Å; K52-S56 PolarHBondContact O-OG 2.67Å; S53-S56 PolarHBondContact O-N 2.8Å; S53-S56 PolarHBondContact O-OG 3.02Å; S56-L58 VanDerWaalsContact C-N 3.34Å; S56-L58 PolarHBondContact O-N 3.23Å; S56-E59 PolarHBondContact O-N 3.49Å; S56-D60 WeakPolarHBondContact O-CB 3.41Å; S56-D60 PolarHBondContact O-N 2.65Å
57A81.8Confident78.5Confident37 Ų3761.4 Ų61.431%0.30633%0.331SS..Hα-helixtrans-68.2-30.7175.300000113L27 S53 L55 K61L27-A57 HydrophobicContact CD2-CB 3.95Å; S53-A57 WeakPolarHBondContact O-CB 3.43Å; S53-A57 PolarHBondContact O-N 3.29Å; L55-A57 VanDerWaalsContact C-N 3.29Å; L55-A57 PolarHBondContact O-N 3.44Å; A57-K61 PolarHBondContact O-N 3.27Å
58L81.8Confident78.6Confident3 Ų360.4 Ų60.42%0.01633%0.326CS..Hα-helixtrans-71.5-47.5173.7-178.266.7000111.1A24 L27 L28 N54 L55 S56 D60 K61 F62 W68 L102A24-L58 HydrophobicContact CB-CD1 4Å; L27-L58 HydrophobicContact CD2-CB 3.93Å; L28-L58 HydrophobicContact CD1-CD2 3.95Å; L28-L58 HydrophobicContact CD2-CB 4.19Å; L28-L58 HydrophobicContact CD2-CD2 3.84Å; L28-L58 HydrophobicContact CG-CD2 3.98Å; N54-L58 PolarHBondContact O-N 3.47Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 3.34Å; L55-L58 VanDerWaalsContact O-N 3.08Å; S56-L58 VanDerWaalsContact C-N 3.34Å; S56-L58 PolarHBondContact O-N 3.23Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 3.32Å; L58-K61 PolarHBondContact O-N 3.18Å; L58-F62 HydrophobicContact CD1-CD2 4.33Å; L58-F62 HydrophobicContact CD1-CE2 3.79Å; L58-F62 HydrophobicContact CD1-CZ 4.1Å; L58-F62 HydrophobicContact CD2-CE2 3.92Å; L58-F62 HydrophobicContact CG-CD2 3.95Å; L58-F62 HydrophobicContact CG-CE2 3.58Å; L58-F62 HydrophobicContact CG-CZ 4.37Å; L58-F62 WeakPolarHBondContact O-CD2 3.18Å; L58-F62 PolarHBondContact O-N 3.38Å; L58-W68 HydrophobicContact CD1-CZ3 3.83Å; L58-L102 HydrophobicContact CD2-CD1 4.08Å
59E80.1Confident78.7Confident119 Ų11964.3 Ų64.356%0.55634%0.341SS*.Hα-helixtrans-58.5-42.2175.5-69.2178.9168.300111.6L55 S56 K61 F62 L63L55-E59 PolarHBondContact O-N 3.04Å; S56-E59 PolarHBondContact O-N 3.49Å; E59-K61 PolarHBondContact O-N 3.37Å; E59-F62 CarbonylContact O-C 3.55Å; E59-F62 PolarHBondContact O-N 2.87Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.2Å
60D80.4Confident78.6Confident73 Ų7364 Ų6439%0.3933%0.331SS..Hα-helixtrans-60-42.7175.8-109.30.1000112.4S56 L58 L63 K64S56-D60 WeakPolarHBondContact O-CB 3.41Å; S56-D60 PolarHBondContact O-N 2.65Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 3.32Å; D60-L63 PolarHBondContact O-N 3.42Å; D60-K64 HydrophobicContact CB-CD 4.4Å; D60-K64 VanDerWaalsContact O-CB 3.28Å; D60-K64 WeakPolarHBondContact O-CB 3.46Å; D60-K64 VanDerWaalsContact O-CG 3.3Å; D60-K64 WeakPolarHBondContact O-CG 3.28Å; D60-K64 PolarHBondContact O-N 3.11Å; D60-K64 WeakPolarHBondContact OD1-CE 3.31Å; D60-K64 IonicContact OD1-NZ 2.74Å; D60-K64 PolarHBondContact OD1-NZ 3.04Å; D60-K64 IonicContact OD2-NZ 2.68Å; D60-K64 PolarHBondContact OD2-NZ 3.18Å
61K79.8Confident78.6Confident59 Ų5962.3 Ų62.326%0.25732%0.321SS..Hα-helixtrans-63.8-42.5174-79.3-158179.2178.30111.8E23 L27 A57 L58 E59 L63 K64 D65 W68E23-K61 IonicContact OE1-NZ 2.82Å; E23-K61 PolarHBondContact OE1-NZ 2.85Å; L27-K61 HydrophobicContact CD1-CD 3.65Å; L27-K61 VanDerWaalsContact CD1-CE 3.47Å; L27-K61 HydrophobicContact CD1-CG 4.24Å; A57-K61 PolarHBondContact O-N 3.27Å; L58-K61 PolarHBondContact O-N 3.18Å; E59-K61 PolarHBondContact O-N 3.37Å; K61-L63 PolarHBondContact O-N 3.03Å; K61-K64 PolarHBondContact O-N 2.93Å; K61-D65 PolarHBondContact O-N 2.92Å; K61-W68 HydrophobicContact CB-CD2 4.05Å; K61-W68 HydrophobicContact CB-CE3 4.02Å; K61-W68 HydrophobicContact CB-CZ3 4.35Å; K61-W68 HydrophobicContact CD-CD2 4.19Å; K61-W68 HydrophobicContact CD-CE3 4.39Å; K61-W68 HydrophobicContact CD-CH2 3.71Å; K61-W68 HydrophobicContact CD-CZ2 3.44Å; K61-W68 VanDerWaalsContact CD-CZ2 3.44Å; K61-W68 HydrophobicContact CD-CZ3 4.16Å
62F79.1Confident78.6Confident20 Ų2064.9 Ų64.99%0.08833%0.332CS..Hα-helixtrans-65.5-15.4175.8-74.8-44.6000114.8L58 E59 W68 L71 K72 L102L58-F62 HydrophobicContact CD1-CD2 4.33Å; L58-F62 HydrophobicContact CD1-CE2 3.79Å; L58-F62 HydrophobicContact CD1-CZ 4.1Å; L58-F62 HydrophobicContact CD2-CE2 3.92Å; L58-F62 HydrophobicContact CG-CD2 3.95Å; L58-F62 HydrophobicContact CG-CE2 3.58Å; L58-F62 HydrophobicContact CG-CZ 4.37Å; L58-F62 WeakPolarHBondContact O-CD2 3.18Å; L58-F62 PolarHBondContact O-N 3.38Å; E59-F62 CarbonylContact O-C 3.55Å; E59-F62 PolarHBondContact O-N 2.87Å; F62-W68 HydrophobicContact CD1-CB 4.18Å; F62-W68 HydrophobicContact CD1-CE3 4.03Å; F62-W68 AromaticContact CE1-CE3 3.84Å; F62-W68 HydrophobicContact CE1-CE3 3.84Å; F62-W68 HydrophobicContact CZ-CE3 4.49Å; F62-L71 HydrophobicContact CE1-CB 4.26Å; F62-L71 HydrophobicContact CE1-CD2 3.99Å; F62-L71 HydrophobicContact CE1-CG 3.85Å; F62-L71 HydrophobicContact CZ-CD2 4.28Å; F62-L71 HydrophobicContact CZ-CG 4.24Å; F62-K72 HydrophobicContact CB-CD 4.14Å; F62-K72 HydrophobicContact CD1-CB 3.82Å; F62-K72 HydrophobicContact CD1-CG 4.25Å; F62-K72 HydrophobicContact CE1-CB 4.21Å; F62-K72 HydrophobicContact CG-CB 4.49Å; F62-K72 HydrophobicContact CG-CG 4.46Å; F62-K72 PolarHBondContact O-NZ 3.47Å; F62-L102 HydrophobicContact CZ-CD2 4.5Å
63L76.1Confident78.5Confident130 Ų13064.6 Ų64.668%0.68134%0.336SS*.Hα-helixtrans-100-35.6175.9-70169.7000112.9E59 D60 K61E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.2Å; D60-L63 PolarHBondContact O-N 3.42Å; K61-L63 PolarHBondContact O-N 3.03Å
64K73.9Confident78.3Confident148 Ų14863 Ų6364%0.64332%0.322SS*.Hα-helixtrans-100-27.5-168.2-63.2170.2-173.91740114.2D60 K61D60-K64 HydrophobicContact CB-CD 4.4Å; D60-K64 VanDerWaalsContact O-CB 3.28Å; D60-K64 WeakPolarHBondContact O-CB 3.46Å; D60-K64 VanDerWaalsContact O-CG 3.3Å; D60-K64 WeakPolarHBondContact O-CG 3.28Å; D60-K64 PolarHBondContact O-N 3.11Å; D60-K64 WeakPolarHBondContact OD1-CE 3.31Å; D60-K64 IonicContact OD1-NZ 2.74Å; D60-K64 PolarHBondContact OD1-NZ 3.04Å; D60-K64 IonicContact OD2-NZ 2.68Å; D60-K64 PolarHBondContact OD2-NZ 3.18Å; K61-K64 PolarHBondContact O-N 2.93Å
65D75.2Confident78.3Confident55 Ų5564.5 Ų64.529%0.29433%0.327SS..  trans-102.4118.7-174.6-169.3-24.3000112.3K61 Q67 W68K61-D65 PolarHBondContact O-N 2.92Å; D65-Q67 PolarHBondContact O-N 3.28Å; D65-Q67 VanDerWaalsContact OD1-CB 3.3Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.38Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.29Å; D65-Q67 PolarHBondContact OD1-N 3.5Å; D65-W68 HydrophobicContact CB-CB 4.43Å; D65-W68 HydrophobicContact CB-CG 4.19Å; D65-W68 PolarHBondContact O-N 3.21Å; D65-W68 VanDerWaalsContact OD2-CD1 3.24Å; D65-W68 PolarHBondContact OD2-NE1 3.08Å
66P69.9Low78.2Confident86 Ų8666.5 Ų66.556%0.55834%0.338SS*.G310 helixtrans-63.5-23.6177.327.5-35.3000113.9W68 K69P66-W68 PolarHBondContact O-N 2.73Å; P66-K69 HydrophobicContact CB-CD 4.48Å; P66-K69 WeakPolarHBondContact O-CB 3.41Å; P66-K69 WeakPolarHBondContact O-CG 3.38Å; P66-K69 PolarHBondContact O-N 3.04Å
67Q67.5Low78.2Confident111 Ų11168.8 Ų68.852%0.51934%0.342SS..G310 helixtrans-72.3-18.1178.8-57.2-166.116.100113.1R20 D65R20-Q67 PolarHBondContact NH1-O 3.01Å; D65-Q67 PolarHBondContact O-N 3.28Å; D65-Q67 VanDerWaalsContact OD1-CB 3.3Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.38Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.29Å; D65-Q67 PolarHBondContact OD1-N 3.5Å
68W77.3Confident78.1Confident5 Ų567.2 Ų67.22%0.01933%0.329CS..G310 helixtrans-90.4-4.9-179.3-71.660.9000112.9E23 A24 L58 K61 F62 D65 P66 N70 L71 K72E23-W68 HydrophobicContact CB-CH2 4.46Å; E23-W68 HydrophobicContact CB-CZ2 4.43Å; E23-W68 HydrophobicContact CG-CZ2 4.31Å; A24-W68 HydrophobicContact CB-CH2 3.87Å; A24-W68 HydrophobicContact CB-CZ3 3.59Å; L58-W68 HydrophobicContact CD1-CZ3 3.83Å; K61-W68 HydrophobicContact CB-CD2 4.05Å; K61-W68 HydrophobicContact CB-CE3 4.02Å; K61-W68 HydrophobicContact CB-CZ3 4.35Å; K61-W68 HydrophobicContact CD-CD2 4.19Å; K61-W68 HydrophobicContact CD-CE3 4.39Å; K61-W68 HydrophobicContact CD-CH2 3.71Å; K61-W68 HydrophobicContact CD-CZ2 3.44Å; K61-W68 VanDerWaalsContact CD-CZ2 3.44Å; K61-W68 HydrophobicContact CD-CZ3 4.16Å; F62-W68 HydrophobicContact CD1-CB 4.18Å; F62-W68 HydrophobicContact CD1-CE3 4.03Å; F62-W68 AromaticContact CE1-CE3 3.84Å; F62-W68 HydrophobicContact CE1-CE3 3.84Å; F62-W68 HydrophobicContact CZ-CE3 4.49Å; D65-W68 HydrophobicContact CB-CB 4.43Å; D65-W68 HydrophobicContact CB-CG 4.19Å; D65-W68 PolarHBondContact O-N 3.21Å; D65-W68 VanDerWaalsContact OD2-CD1 3.24Å; D65-W68 PolarHBondContact OD2-NE1 3.08Å; P66-W68 PolarHBondContact O-N 2.73Å; W68-N70 PolarHBondContact O-N 2.7Å; W68-L71 HydrophobicContact CE3-CD2 4.12Å; W68-L71 HydrophobicContact CZ3-CD2 4.21Å; W68-L71 PolarHBondContact O-N 2.88Å; W68-K72 WeakPolarHBondContact O-CB 3.37Å; W68-K72 PolarHBondContact O-N 2.98Å
69K76.9Confident78Confident128 Ų12867.3 Ų67.356%0.55733%0.33SS*.Hα-helixtrans-58.9-43.7179.6-70.8176.8176.6178.30113.1P66 L71 K72 L73P66-K69 HydrophobicContact CB-CD 4.48Å; P66-K69 WeakPolarHBondContact O-CB 3.41Å; P66-K69 WeakPolarHBondContact O-CG 3.38Å; P66-K69 PolarHBondContact O-N 3.04Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.41Å; K69-K72 WeakPolarHBondContact O-CB 3.21Å; K69-K72 PolarHBondContact O-N 3.11Å; K69-L73 WeakPolarHBondContact O-CG 3.29Å; K69-L73 PolarHBondContact O-N 3.49Å
70N75.6Confident77.7Confident48 Ų4865 Ų6526%0.25734%0.337SS..Hα-helixtrans-68.7-35-178.6-59.613.9000111.3E14 C16 W68 L74E14-N70 PolarHBondContact O-ND2 3.26Å; E14-N70 VanDerWaalsContact O-ND2 3.08Å; C16-N70 HydrophobicContact CB-CB 4.5Å; W68-N70 PolarHBondContact O-N 2.7Å; N70-L74 PolarHBondContact O-N 3.44Å; N70-L74 VanDerWaalsContact O-N 3.14Å
71L79.7Confident77.4Confident0 Ų066.8 Ų66.80%034%0.342CS..Hα-helixtrans-67.7-41.4172.2179.755.7000111.4I21 A24 F62 W68 K69 L74 R75 L102 C105I21-L71 HydrophobicContact CD1-CD1 4.49Å; I21-L71 HydrophobicContact CG1-CD1 3.6Å; A24-L71 HydrophobicContact CB-CD2 3.96Å; F62-L71 HydrophobicContact CE1-CB 4.26Å; F62-L71 HydrophobicContact CE1-CD2 3.99Å; F62-L71 HydrophobicContact CE1-CG 3.85Å; F62-L71 HydrophobicContact CZ-CD2 4.28Å; F62-L71 HydrophobicContact CZ-CG 4.24Å; W68-L71 HydrophobicContact CE3-CD2 4.12Å; W68-L71 HydrophobicContact CZ3-CD2 4.21Å; W68-L71 PolarHBondContact O-N 2.88Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.41Å; L71-L74 PolarHBondContact O-N 2.9Å; L71-R75 VanDerWaalsContact O-CB 3.28Å; L71-R75 WeakPolarHBondContact O-CB 3.49Å; L71-R75 PolarHBondContact O-N 3.37Å; L71-L102 HydrophobicContact CD1-CD2 4.42Å; L71-C105 HydrophobicContact CD1-CB 4.44Å
72K80.2Confident76.8Confident62 Ų6264.5 Ų64.527%0.2733%0.334SS..Hα-helixtrans-61.4-46.2176.6-170.3-179.4-171168.80111.8F62 W68 K69 L74 R75 D76F62-K72 HydrophobicContact CB-CD 4.14Å; F62-K72 HydrophobicContact CD1-CB 3.82Å; F62-K72 HydrophobicContact CD1-CG 4.25Å; F62-K72 HydrophobicContact CE1-CB 4.21Å; F62-K72 HydrophobicContact CG-CB 4.49Å; F62-K72 HydrophobicContact CG-CG 4.46Å; F62-K72 PolarHBondContact O-NZ 3.47Å; W68-K72 WeakPolarHBondContact O-CB 3.37Å; W68-K72 PolarHBondContact O-N 2.98Å; K69-K72 WeakPolarHBondContact O-CB 3.21Å; K69-K72 PolarHBondContact O-N 3.11Å; K72-L74 PolarHBondContact O-N 2.86Å; K72-R75 PolarHBondContact O-N 3.26Å; K72-D76 WeakPolarHBondContact O-CB 3.49Å; K72-D76 PolarHBondContact O-N 3.46Å
73L81Confident76Confident121 Ų12170.3 Ų70.363%0.63436%0.361SS*.Hα-helixtrans-60.4-44.8176.9-71.6170.7000111.9K69 D76 E77K69-L73 WeakPolarHBondContact O-CG 3.29Å; K69-L73 PolarHBondContact O-N 3.49Å; L73-D76 PolarHBondContact O-N 2.92Å; L73-E77 WeakPolarHBondContact O-CB 3.18Å; L73-E77 PolarHBondContact O-N 2.96Å
74L79.9Confident75.8Confident26 Ų2665.4 Ų65.414%0.13633%0.334CS..Hα-helixtrans-63-43.6175.5-178.664.2000111.9N70 L71 K72 E77 I78 C105 T109N70-L74 PolarHBondContact O-N 3.44Å; N70-L74 VanDerWaalsContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 2.9Å; K72-L74 PolarHBondContact O-N 2.86Å; L74-E77 PolarHBondContact O-N 3.23Å; L74-I78 HydrophobicContact CD1-CD1 3.96Å; L74-I78 HydrophobicContact CD1-CG1 4.46Å; L74-I78 HydrophobicContact CG-CD1 4Å; L74-I78 WeakPolarHBondContact O-CB 3.37Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 3.31Å; L74-C105 HydrophobicContact CD2-CB 4.07Å; L74-C105 HydrophobicContact CG-CB 4.38Å; L74-T109 WeakPolarHBondContact CD2-OG1 3.42Å
75R83.6Confident75.2Confident40 Ų4061.3 Ų61.315%0.15132%0.322CS..Hα-helixtrans-62.3-44176.1177.2-90.1-173.2-166.8-4.3111.3L71 K72 I78 A79 E98L71-R75 VanDerWaalsContact O-CB 3.28Å; L71-R75 WeakPolarHBondContact O-CB 3.49Å; L71-R75 PolarHBondContact O-N 3.37Å; K72-R75 PolarHBondContact O-N 3.26Å; R75-I78 PolarHBondContact O-N 3.16Å; R75-A79 WeakPolarHBondContact O-CB 3.33Å; R75-A79 PolarHBondContact O-N 3.37Å; R75-E98 IonicContact CZ-OE1 3.46Å; R75-E98 IonicContact CZ-OE2 2.85Å; R75-E98 IonicContact NE-OE2 2.67Å; R75-E98 PolarHBondContact NE-OE2 2.88Å; R75-E98 IonicContact NH2-OE1 2.68Å; R75-E98 PolarHBondContact NH2-OE1 2.93Å; R75-E98 IonicContact NH2-OE2 3.71Å; R75-E98 PolarHBondContact NH2-OE2 3.06Å
76D81Confident74.6Confident65 Ų6561.5 Ų61.535%0.34832%0.322SS..Hα-helixtrans-70.8-33.1-180-67.7-16.3000111.8K72 L73 G80K72-D76 WeakPolarHBondContact O-CB 3.49Å; K72-D76 PolarHBondContact O-N 3.46Å; L73-D76 PolarHBondContact O-N 2.92Å; D76-G80 PolarHBondContact O-N 2.77Å
77E81.8Confident74.2Confident108 Ų10864.5 Ų64.551%0.50533%0.333SS..Hα-helixtrans-66-48.4171.9-170.3-170.1145.600111.7L73 L74 A79 G80 K81L73-E77 WeakPolarHBondContact O-CB 3.18Å; L73-E77 PolarHBondContact O-N 2.96Å; L74-E77 PolarHBondContact O-N 3.23Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-G80 PolarHBondContact O-N 3.24Å; E77-K81 WeakPolarHBondContact O-CG 3.31Å; E77-K81 PolarHBondContact O-N 3.34Å; E77-K81 VanDerWaalsContact O-N 3.09Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.43Å; E77-K81 IonicContact OE1-NZ 2.73Å; E77-K81 PolarHBondContact OE1-NZ 3.02Å
78I79.8Confident74.1Confident5 Ų560.5 Ų60.53%0.02632%0.317CS..Hα-helixtrans-65.7-38.5177.1-69.7171.2000110.8L74 R75 G80 K81 A82 L101 L104 C105 E108L74-I78 HydrophobicContact CD1-CD1 3.96Å; L74-I78 HydrophobicContact CD1-CG1 4.46Å; L74-I78 HydrophobicContact CG-CD1 4Å; L74-I78 WeakPolarHBondContact O-CB 3.37Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 3.31Å; R75-I78 PolarHBondContact O-N 3.16Å; I78-G80 VanDerWaalsContact C-N 3.28Å; I78-G80 PolarHBondContact O-N 3.26Å; I78-K81 CarbonylContact O-C 3.55Å; I78-K81 PolarHBondContact O-N 3.43Å; I78-K81 VanDerWaalsContact O-N 3.12Å; I78-A82 WeakPolarHBondContact O-CB 3.42Å; I78-A82 PolarHBondContact O-N 3.24Å; I78-L101 HydrophobicContact CG2-CD2 4.13Å; I78-L104 HydrophobicContact CG2-CB 3.74Å; I78-L104 HydrophobicContact CG2-CD1 4.19Å; I78-C105 HydrophobicContact CD1-CB 4.19Å; I78-E108 HydrophobicContact CD1-CB 4.33Å; I78-E108 HydrophobicContact CD1-CG 4.08Å; I78-E108 WeakPolarHBondContact CD1-OE2 3.17Å; I78-E108 WeakPolarHBondContact CG1-OE2 3.4Å
79A79.6Confident73.6Confident5 Ų567 Ų674%0.04136%0.357CS..Hα-helixtrans-63.1-33.3173.500000112.3R75 E77 A82 Q86 L101R75-A79 WeakPolarHBondContact O-CB 3.33Å; R75-A79 PolarHBondContact O-N 3.37Å; E77-A79 VanDerWaalsContact C-N 3.33Å; A79-A82 PolarHBondContact O-N 3.45Å; A79-Q86 PolarHBondContact O-NE2 2.91Å; A79-L101 HydrophobicContact CB-CD1 4.12Å; A79-L101 HydrophobicContact CB-CD2 4.14Å
80G73.9Confident73.6Confident69 Ų6961.1 Ų61.171%0.71133%0.331SS*.Hα-helixtrans-71.2-28.2171.500000114.3D76 E77 I78D76-G80 PolarHBondContact O-N 2.77Å; E77-G80 PolarHBondContact O-N 3.24Å; I78-G80 VanDerWaalsContact C-N 3.28Å; I78-G80 PolarHBondContact O-N 3.26Å
81K73.8Confident73.7Confident112 Ų11259.9 Ų59.949%0.48733%0.326SS..Hα-helixtrans-81-18.6171.7-62.7167.7-169.5162.10112.8E77 I78 E83 E108E77-K81 WeakPolarHBondContact O-CG 3.31Å; E77-K81 PolarHBondContact O-N 3.34Å; E77-K81 VanDerWaalsContact O-N 3.09Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.43Å; E77-K81 IonicContact OE1-NZ 2.73Å; E77-K81 PolarHBondContact OE1-NZ 3.02Å; I78-K81 CarbonylContact O-C 3.55Å; I78-K81 PolarHBondContact O-N 3.43Å; I78-K81 VanDerWaalsContact O-N 3.12Å; K81-E83 PolarHBondContact O-N 2.9Å; K81-E108 IonicContact NZ-OE1 2.6Å; K81-E108 IonicContact NZ-OE2 2.78Å
82A66.9Low73.8Confident11 Ų1159.9 Ų59.99%0.09133%0.326CS..  trans-87.4104.6-176.700000111.8I78 A79 W84 L101I78-A82 WeakPolarHBondContact O-CB 3.42Å; I78-A82 PolarHBondContact O-N 3.24Å; A79-A82 PolarHBondContact O-N 3.45Å; A82-W84 HydrophobicContact CB-CD2 3.97Å; A82-W84 HydrophobicContact CB-CE3 3.9Å; A82-W84 HydrophobicContact CB-CH2 3.84Å; A82-W84 HydrophobicContact CB-CZ2 3.89Å; A82-W84 HydrophobicContact CB-CZ3 3.84Å; A82-W84 PolarHBondContact O-N 2.99Å; A82-L101 HydrophobicContact CB-CD2 4.09Å
83E61.8Low73.8Confident142 Ų14257 Ų5766%0.66431%0.313SS*.  trans-71.142.1-177.6-49.7169.2139.600114.9K81 R201K81-E83 PolarHBondContact O-N 2.9Å; E83-R201 IonicContact OE2-CZ 3.86Å; E83-R201 IonicContact OE2-NH1 2.76Å; E83-R201 PolarHBondContact OE2-NH1 3.33Å; E83-R201 IonicContact OE2-NH2 3.18Å; E83-R201 PolarHBondContact OE2-NH2 3.17Å
84W72.1Confident73.8Confident26 Ų2652.1 Ų52.110%0.09829%0.289CS..SBendtrans-139155.9-179.56678.8000114.4A82 Q86 S97 L101 L104 T198 A202A82-W84 HydrophobicContact CB-CD2 3.97Å; A82-W84 HydrophobicContact CB-CE3 3.9Å; A82-W84 HydrophobicContact CB-CH2 3.84Å; A82-W84 HydrophobicContact CB-CZ2 3.89Å; A82-W84 HydrophobicContact CB-CZ3 3.84Å; A82-W84 PolarHBondContact O-N 2.99Å; W84-Q86 PolarHBondContact O-N 2.95Å; W84-S97 PolarHBondContact NE1-OG 2.87Å; W84-L101 HydrophobicContact CZ2-CD2 4.29Å; W84-L104 HydrophobicContact CH2-CD1 3.92Å; W84-L104 HydrophobicContact CZ2-CD1 4.43Å; W84-T198 HydrophobicContact CB-CG2 3.83Å; W84-T198 HydrophobicContact CD2-CG2 3.31Å; W84-T198 HydrophobicContact CE3-CG2 3.62Å; W84-T198 HydrophobicContact CG-CG2 3.45Å; W84-T198 VanDerWaalsContact CG-CG2 3.45Å; W84-T198 HydrophobicContact CZ2-CG2 4.35Å; W84-T198 HydrophobicContact CZ3-CG2 4.24Å; W84-A202 HydrophobicContact CH2-CB 3.84Å; W84-A202 HydrophobicContact CZ2-CB 4.37Å
85P62.4Low74Confident62 Ų6251 Ų5140%0.40328%0.283SS..  trans-69.7121.1-177.7-16.331.5000111.6P190P85-P190 HydrophobicContact CG-CB 4.26Å; P85-P190 HydrophobicContact CG-CG 4.22Å
86Q61.4Low74.1Confident60 Ų6049.1 Ų49.128%0.2828%0.276SS..  trans-81.4-36.4-179.9-65.2161.728.600112.1A79 W84 L101A79-Q86 PolarHBondContact O-NE2 2.91Å; W84-Q86 PolarHBondContact O-N 2.95Å; Q86-L101 HydrophobicContact CG-CD1 4.46Å
87N61.3Low74.2Confident149 Ų14946 Ų4680%0.79726%0.26SS*.  trans-98.1122.5-179.6-65.4-14.5000110.4
88S65.9Low74.2Confident26 Ų2641.7 Ų41.718%0.18224%0.24CC..  trans-136.2159.2171.580.40000111.5D90 S94S88-D90 PolarHBondContact O-N 3.17Å; S88-D90 PolarHBondContact OG-N 3.1Å; S88-D90 PolarHBondContact OG-O 3.22Å; S88-S94 PolarHBondContact N-OG 2.99Å; S88-S94 PolarHBondContact O-OG 2.87Å; S88-S94 PolarHBondContact OG-OG 2.9Å; S88-S94 VanDerWaalsContact OG-OG 3.08Å
89V67.3Low74.5Confident141 Ų14141.5 Ų41.586%0.85524%0.239SC*.SBendtrans-68.5-22.2173.9-173.80000111.2V91V89-V91 PolarHBondContact O-N 3.39Å
90D77.1Confident74.8Confident5 Ų541.3 Ų41.33%0.02724%0.237CC..  trans-83.2111.7178.2-171.3-19.9000111.1S88 T92 W93 S94 C185 A188 R195S88-D90 PolarHBondContact O-N 3.17Å; S88-D90 PolarHBondContact OG-N 3.1Å; S88-D90 PolarHBondContact OG-O 3.22Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 PolarHBondContact O-N 3.37Å; D90-T92 WeakPolarHBondContact OD1-CA 3.39Å; D90-T92 WeakPolarHBondContact OD1-CB 3.46Å; D90-T92 PolarHBondContact OD1-N 2.99Å; D90-T92 PolarHBondContact OD1-OG1 2.79Å; D90-T92 PolarHBondContact OD2-OG1 3.13Å; D90-W93 HydrophobicContact CB-CB 4.09Å; D90-W93 PolarHBondContact O-N 3Å; D90-W93 PolarHBondContact OD1-N 3.41Å; D90-S94 PolarHBondContact O-N 3.12Å; D90-S94 PolarHBondContact O-OG 2.86Å; D90-S94 VanDerWaalsContact O-OG 3.08Å; D90-C185 HydrophobicContact CB-CB 4.36Å; D90-C185 PolarHBondContact OD2-N 3.2Å; D90-C185 VanDerWaalsContact OD2-N 3.12Å; D90-A188 HydrophobicContact CB-CB 4.36Å; D90-R195 IonicContact OD2-CZ 3.42Å; D90-R195 IonicContact OD2-NH1 3.4Å; D90-R195 PolarHBondContact OD2-NH1 2.99Å; D90-R195 IonicContact OD2-NH2 3.38Å
91V78.3Confident75.3Confident22 Ų2238 Ų3813%0.13320%0.203CC..Hα-helixtrans-57.3-37177.1-178.20000111.8L48 L51 K52 V89 F95L48-V91 HydrophobicContact CD2-CB 4.03Å; L48-V91 HydrophobicContact CD2-CG1 4.38Å; L48-V91 HydrophobicContact CD2-CG2 4.41Å; L51-V91 HydrophobicContact CB-CG1 3.83Å; K52-V91 HydrophobicContact CD-CG2 4.23Å; K52-V91 HydrophobicContact CG-CB 4.48Å; K52-V91 HydrophobicContact CG-CG1 3.68Å; K52-V91 HydrophobicContact CG-CG2 3.88Å; V89-V91 PolarHBondContact O-N 3.39Å; V91-F95 VanDerWaalsContact O-CB 3.32Å; V91-F95 WeakPolarHBondContact O-CB 3.35Å; V91-F95 PolarHBondContact O-N 3.39Å
92T79.8Confident76Confident0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-70.7-37.4-17869.70000111.3L48 L51 D90 T96 L156 V183 V184L48-T92 HydrophobicContact CD2-CG2 4.23Å; L51-T92 HydrophobicContact CD1-CG2 4.32Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 PolarHBondContact O-N 3.37Å; D90-T92 WeakPolarHBondContact OD1-CA 3.39Å; D90-T92 WeakPolarHBondContact OD1-CB 3.46Å; D90-T92 PolarHBondContact OD1-N 2.99Å; D90-T92 PolarHBondContact OD1-OG1 2.79Å; D90-T92 PolarHBondContact OD2-OG1 3.13Å; T92-T96 WeakPolarHBondContact O-CB 3.3Å; T92-T96 PolarHBondContact O-N 3.32Å; T92-T96 PolarHBondContact O-OG1 3.08Å; T92-L156 HydrophobicContact CG2-CD2 4.36Å; T92-V183 HydrophobicContact CG2-CG1 3.86Å; T92-V184 HydrophobicContact CG2-CG2 4.37Å
93W81.6Confident76.9Confident1 Ų132.2 Ų32.20%0.00418%0.176CC..Hα-helixtrans-70.6-44.7173.5-178.8-104.9000111.8D90 F95 T96 S97 R195 T198D90-W93 HydrophobicContact CB-CB 4.09Å; D90-W93 PolarHBondContact O-N 3Å; D90-W93 PolarHBondContact OD1-N 3.41Å; W93-F95 VanDerWaalsContact C-N 3.3Å; W93-F95 PolarHBondContact O-N 3.35Å; W93-T96 HydrophobicContact CE3-CG2 4.44Å; W93-T96 HydrophobicContact CZ3-CG2 4.24Å; W93-T96 CarbonylContact O-C 3.6Å; W93-T96 WeakPolarHBondContact O-CA 3.38Å; W93-T96 WeakPolarHBondContact O-CB 3Å; W93-T96 PolarHBondContact O-N 3.11Å; W93-S97 PolarHBondContact O-N 3.39Å; W93-R195 HydrophobicContact CD2-CB 4.42Å; W93-R195 HydrophobicContact CD2-CG 3.8Å; W93-R195 HydrophobicContact CE3-CB 3.82Å; W93-R195 HydrophobicContact CE3-CG 3.68Å; W93-R195 HydrophobicContact CH2-CB 3.87Å; W93-R195 HydrophobicContact CH2-CG 4.11Å; W93-R195 HydrophobicContact CZ2-CB 4.44Å; W93-R195 HydrophobicContact CZ2-CG 4.21Å; W93-R195 HydrophobicContact CZ3-CB 3.53Å; W93-R195 HydrophobicContact CZ3-CG 3.85Å; W93-T198 HydrophobicContact CH2-CG2 3.99Å; W93-T198 HydrophobicContact CZ2-CG2 4.07Å
94S81.2Confident78.1Confident20 Ų2025.9 Ų25.914%0.1415%0.146CC..Hα-helixtrans-60.3-40.7177.6-56.30000111.3S88 D90 S97 E98S88-S94 PolarHBondContact N-OG 2.99Å; S88-S94 PolarHBondContact O-OG 2.87Å; S88-S94 PolarHBondContact OG-OG 2.9Å; S88-S94 VanDerWaalsContact OG-OG 3.08Å; D90-S94 PolarHBondContact O-N 3.12Å; D90-S94 PolarHBondContact O-OG 2.86Å; D90-S94 VanDerWaalsContact O-OG 3.08Å; S94-S97 PolarHBondContact O-N 3.36Å; S94-E98 PolarHBondContact O-N 3.4Å; S94-E98 VanDerWaalsContact O-N 3.09Å
95F84Confident78.7Confident2 Ų224.7 Ų24.71%0.00914%0.142CC..Hα-helixtrans-62.4-42.1170.9-177.3-92.2000113.2L28 L51 L55 V91 W93 T99 F152 L156L28-F95 HydrophobicContact CB-CE2 3.94Å; L28-F95 HydrophobicContact CB-CZ 4.26Å; L28-F95 HydrophobicContact CD2-CD2 4.36Å; L28-F95 HydrophobicContact CD2-CE2 4.08Å; L28-F95 HydrophobicContact CG-CE2 4.49Å; L28-F95 WeakPolarHBondContact O-CE2 3.41Å; L51-F95 HydrophobicContact CD2-CD1 4.02Å; L51-F95 HydrophobicContact CD2-CD2 3.71Å; L51-F95 HydrophobicContact CD2-CE1 4.04Å; L51-F95 HydrophobicContact CD2-CE2 3.73Å; L51-F95 HydrophobicContact CD2-CG 3.86Å; L51-F95 HydrophobicContact CD2-CZ 3.9Å; L55-F95 HydrophobicContact CD1-CB 4.21Å; L55-F95 HydrophobicContact CG-CD2 4.31Å; V91-F95 VanDerWaalsContact O-CB 3.32Å; V91-F95 WeakPolarHBondContact O-CB 3.35Å; V91-F95 PolarHBondContact O-N 3.39Å; W93-F95 VanDerWaalsContact C-N 3.3Å; W93-F95 PolarHBondContact O-N 3.35Å; F95-T99 HydrophobicContact CD1-CG2 4.33Å; F95-T99 HydrophobicContact CE1-CG2 3.91Å; F95-T99 HydrophobicContact CZ-CG2 4.03Å; F95-T99 WeakPolarHBondContact O-CB 3.45Å; F95-T99 WeakPolarHBondContact O-CG2 3.47Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-T99 PolarHBondContact O-OG1 3.45Å; F95-F152 HydrophobicContact CE1-CB 4.44Å; F95-F152 HydrophobicContact CE1-CD1 4.42Å; F95-L156 HydrophobicContact CD1-CD1 3.8Å; F95-L156 HydrophobicContact CE1-CD1 4.09Å
96T84.3Confident79.9Confident0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-65.9-38.8177.3-57.10000111.7T92 W93 T99 L100 V153 L156T92-T96 WeakPolarHBondContact O-CB 3.3Å; T92-T96 PolarHBondContact O-N 3.32Å; T92-T96 PolarHBondContact O-OG1 3.08Å; W93-T96 HydrophobicContact CE3-CG2 4.44Å; W93-T96 HydrophobicContact CZ3-CG2 4.24Å; W93-T96 CarbonylContact O-C 3.6Å; W93-T96 WeakPolarHBondContact O-CA 3.38Å; W93-T96 WeakPolarHBondContact O-CB 3Å; W93-T96 PolarHBondContact O-N 3.11Å; T96-T99 WeakPolarHBondContact CA-OG1 3.34Å; T96-T99 PolarHBondContact O-OG1 3.2Å; T96-L100 HydrophobicContact CG2-CD1 4.06Å; T96-L100 HydrophobicContact CG2-CG 4.48Å; T96-L100 WeakPolarHBondContact O-CB 3.43Å; T96-L100 VanDerWaalsContact O-CG 3.23Å; T96-L100 WeakPolarHBondContact O-CG 3.26Å; T96-L100 PolarHBondContact O-N 3.48Å; T96-V153 HydrophobicContact CG2-CG1 4.49Å; T96-L156 WeakPolarHBondContact OG1-CB 3.29Å
97S83Confident81.1Confident0 Ų019.5 Ų19.50%011%0.112CC..Hα-helixtrans-66.1-47.7177.7-1750000111.6W84 W93 S94 T99 L100 L101W84-S97 PolarHBondContact NE1-OG 2.87Å; W93-S97 PolarHBondContact O-N 3.39Å; S94-S97 PolarHBondContact O-N 3.36Å; S97-T99 PolarHBondContact O-N 3.31Å; S97-L100 PolarHBondContact O-N 2.99Å; S97-L101 WeakPolarHBondContact O-CG 3.43Å; S97-L101 PolarHBondContact O-N 3.19Å
98E82.8Confident82.2Confident18 Ų1815.2 Ų15.28%0.0849%0.087CC..Hα-helixtrans-64.6-40177.4-69.6-50.3124.100112.7L55 R75 S94 L101 L102L55-E98 HydrophobicContact CD2-CB 4.16Å; L55-E98 HydrophobicContact CD2-CG 3.88Å; R75-E98 IonicContact CZ-OE1 3.46Å; R75-E98 IonicContact CZ-OE2 2.85Å; R75-E98 IonicContact NE-OE2 2.67Å; R75-E98 PolarHBondContact NE-OE2 2.88Å; R75-E98 IonicContact NH2-OE1 2.68Å; R75-E98 PolarHBondContact NH2-OE1 2.93Å; R75-E98 IonicContact NH2-OE2 3.71Å; R75-E98 PolarHBondContact NH2-OE2 3.06Å; S94-E98 PolarHBondContact O-N 3.4Å; S94-E98 VanDerWaalsContact O-N 3.09Å; E98-L101 PolarHBondContact O-N 3.04Å; E98-L102 WeakPolarHBondContact O-CG 3.28Å; E98-L102 PolarHBondContact O-N 3.31Å
99T85.1Confident83.1Confident1 Ų114.4 Ų14.41%0.0068%0.081CC..Hα-helixtrans-65.1-38.9175.344.50000112.3L28 F95 T96 S97 L102 L103 V149 V153L28-T99 HydrophobicContact CB-CG2 4.47Å; L28-T99 HydrophobicContact CD1-CG2 3.61Å; F95-T99 HydrophobicContact CD1-CG2 4.33Å; F95-T99 HydrophobicContact CE1-CG2 3.91Å; F95-T99 HydrophobicContact CZ-CG2 4.03Å; F95-T99 WeakPolarHBondContact O-CB 3.45Å; F95-T99 WeakPolarHBondContact O-CG2 3.47Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-T99 PolarHBondContact O-OG1 3.45Å; T96-T99 WeakPolarHBondContact CA-OG1 3.34Å; T96-T99 PolarHBondContact O-OG1 3.2Å; S97-T99 PolarHBondContact O-N 3.31Å; T99-L102 PolarHBondContact O-N 2.97Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.05Å; T99-L103 PolarHBondContact O-N 3.17Å; T99-V149 HydrophobicContact CG2-CG1 4.34Å; T99-V153 WeakPolarHBondContact OG1-CG2 3.34Å
100L86Confident83.9Confident0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-64.8-42.4173.3-75.7172000112.7T96 S97 L103 L104 V153 A202 L203T96-L100 HydrophobicContact CG2-CD1 4.06Å; T96-L100 HydrophobicContact CG2-CG 4.48Å; T96-L100 WeakPolarHBondContact O-CB 3.43Å; T96-L100 VanDerWaalsContact O-CG 3.23Å; T96-L100 WeakPolarHBondContact O-CG 3.26Å; T96-L100 PolarHBondContact O-N 3.48Å; S97-L100 PolarHBondContact O-N 2.99Å; L100-L103 PolarHBondContact O-N 2.96Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.37Å; L100-V153 HydrophobicContact CD2-CG1 3.56Å; L100-V153 HydrophobicContact CG-CG1 4.01Å; L100-A202 HydrophobicContact CB-CB 4.4Å; L100-A202 HydrophobicContact CD1-CB 4.09Å; L100-A202 HydrophobicContact CD2-CB 3.81Å; L100-A202 HydrophobicContact CG-CB 4.33Å; L100-L203 HydrophobicContact CD2-CD2 4.25Å; L100-L203 HydrophobicContact CD2-CG 4.08Å
101L86.3Confident84.3Confident0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-62.2-43.3175.9-72.5172.4000111.6I78 A79 A82 W84 Q86 S97 E98 L103 L104 C105I78-L101 HydrophobicContact CG2-CD2 4.13Å; A79-L101 HydrophobicContact CB-CD1 4.12Å; A79-L101 HydrophobicContact CB-CD2 4.14Å; A82-L101 HydrophobicContact CB-CD2 4.09Å; W84-L101 HydrophobicContact CZ2-CD2 4.29Å; Q86-L101 HydrophobicContact CG-CD1 4.46Å; S97-L101 WeakPolarHBondContact O-CG 3.43Å; S97-L101 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.04Å; L101-L103 PolarHBondContact O-N 3.07Å; L101-L104 PolarHBondContact O-N 2.69Å; L101-C105 PolarHBondContact O-N 2.8Å; L101-C105 PolarHBondContact O-SG 3.27Å
102L86.4Confident84.5Confident0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-66.6-33176.3-71.1174000113.1A24 L25 L28 L58 F62 L71 E98 T99 C105 L106A24-L102 HydrophobicContact CB-CD1 4.03Å; A24-L102 HydrophobicContact CB-CD2 4.21Å; L25-L102 HydrophobicContact CD2-CB 3.65Å; L25-L102 HydrophobicContact CD2-CD1 4Å; L25-L102 HydrophobicContact CG-CB 4.26Å; L28-L102 HydrophobicContact CD1-CD1 3.61Å; L58-L102 HydrophobicContact CD2-CD1 4.08Å; F62-L102 HydrophobicContact CZ-CD2 4.5Å; L71-L102 HydrophobicContact CD1-CD2 4.42Å; E98-L102 WeakPolarHBondContact O-CG 3.28Å; E98-L102 PolarHBondContact O-N 3.31Å; T99-L102 PolarHBondContact O-N 2.97Å; L102-C105 WeakPolarHBondContact O-CB 3.48Å; L102-C105 PolarHBondContact O-N 3.24Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.24Å
103L86.8Confident84.5Confident1 Ų117.4 Ų17.41%0.0059%0.091CC..Hα-helixtrans-68.4-33.2172.1-73.5171000112.5L25 T99 L100 L101 L106 K107 V146 V149 L150 V153 V206L25-L103 HydrophobicContact CD1-CD2 4.32Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.05Å; T99-L103 PolarHBondContact O-N 3.17Å; L100-L103 PolarHBondContact O-N 2.96Å; L101-L103 PolarHBondContact O-N 3.07Å; L103-L106 HydrophobicContact CD2-CD2 4.44Å; L103-L106 WeakPolarHBondContact O-CB 3.47Å; L103-L106 PolarHBondContact O-N 2.98Å; L103-K107 PolarHBondContact O-N 2.9Å; L103-V146 HydrophobicContact CD2-CG1 4.4Å; L103-V149 HydrophobicContact CD1-CG1 3.92Å; L103-V149 HydrophobicContact CD2-CG1 4.14Å; L103-V149 HydrophobicContact CG-CG1 4.07Å; L103-L150 HydrophobicContact CD1-CD2 3.89Å; L103-V153 HydrophobicContact CD1-CG2 4.2Å; L103-V206 HydrophobicContact CB-CG2 3.97Å
104L86.4Confident84.4Confident10 Ų1019.1 Ų19.15%0.05211%0.105CC..Hα-helixtrans-71-39.6171.6-70.1168.1000111.6I78 W84 L100 L101 L106 K107 E108 N205 V206I78-L104 HydrophobicContact CG2-CB 3.74Å; I78-L104 HydrophobicContact CG2-CD1 4.19Å; W84-L104 HydrophobicContact CH2-CD1 3.92Å; W84-L104 HydrophobicContact CZ2-CD1 4.43Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.37Å; L101-L104 PolarHBondContact O-N 2.69Å; L104-L106 VanDerWaalsContact C-N 3.26Å; L104-L106 PolarHBondContact O-N 3.36Å; L104-K107 PolarHBondContact O-N 3.35Å; L104-E108 PolarHBondContact O-N 2.93Å; L104-N205 HydrophobicContact CD2-CB 4.04Å; L104-V206 HydrophobicContact CD2-CG2 3.69Å; L104-V206 HydrophobicContact CG-CG2 4.05Å
105C86.2Confident84.3Confident0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-56.5-42.8170.1-61.20000111.2I21 L71 L74 I78 L101 L102 T109I21-C105 HydrophobicContact CD1-CB 4.44Å; L71-C105 HydrophobicContact CD1-CB 4.44Å; L74-C105 HydrophobicContact CD2-CB 4.07Å; L74-C105 HydrophobicContact CG-CB 4.38Å; I78-C105 HydrophobicContact CD1-CB 4.19Å; L101-C105 PolarHBondContact O-N 2.8Å; L101-C105 PolarHBondContact O-SG 3.27Å; L102-C105 WeakPolarHBondContact O-CB 3.48Å; L102-C105 PolarHBondContact O-N 3.24Å; C105-T109 WeakPolarHBondContact O-CB 3.32Å; C105-T109 PolarHBondContact O-N 3.35Å; C105-T109 PolarHBondContact O-OG1 3.46Å
106L86.4Confident84Confident0 Ų027.7 Ų27.70%016%0.161CC..Hα-helixtrans-60.5-48.6177-169.568.7000110.9L18 I21 L22 L25 L102 L103 L104 T109 M110 V146 L212L18-L106 HydrophobicContact CD1-CD1 3.6Å; L18-L106 HydrophobicContact CG-CD1 4.43Å; I21-L106 HydrophobicContact CB-CD1 4.15Å; I21-L106 HydrophobicContact CG2-CB 3.89Å; I21-L106 HydrophobicContact CG2-CD1 3.85Å; I21-L106 HydrophobicContact CG2-CG 4.46Å; L22-L106 HydrophobicContact CD2-CD1 4.14Å; L22-L106 HydrophobicContact CD2-CD2 4.37Å; L22-L106 HydrophobicContact CG-CD1 4.13Å; L25-L106 HydrophobicContact CD1-CD2 4.46Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.24Å; L103-L106 HydrophobicContact CD2-CD2 4.44Å; L103-L106 WeakPolarHBondContact O-CB 3.47Å; L103-L106 PolarHBondContact O-N 2.98Å; L104-L106 VanDerWaalsContact C-N 3.26Å; L104-L106 PolarHBondContact O-N 3.36Å; L106-T109 PolarHBondContact O-N 3.03Å; L106-M110 HydrophobicContact CD1-SD 4.37Å; L106-M110 HydrophobicContact CD2-SD 4.47Å; L106-M110 HydrophobicContact CG-SD 3.91Å; L106-M110 VanDerWaalsContact O-CG 3.23Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 3.02Å; L106-V146 HydrophobicContact CD2-CG2 3.85Å; L106-L212 HydrophobicContact CD2-CD1 4.44Å; L106-L212 HydrophobicContact CD2-CD2 3.98Å
107K87.2Confident83.7Confident14 Ų1430.9 Ų30.96%0.06117%0.174CC..Hα-helixtrans-56.7-54.8175.9172.3-175.4166.9-175.50112.2L103 L104 T109 M110 L111 N205 H209 L212L103-K107 PolarHBondContact O-N 2.9Å; L104-K107 PolarHBondContact O-N 3.35Å; K107-T109 VanDerWaalsContact C-N 3.27Å; K107-T109 PolarHBondContact O-N 3.41Å; K107-M110 PolarHBondContact O-N 2.92Å; K107-L111 HydrophobicContact CG-CD1 4.05Å; K107-L111 HydrophobicContact CG-CG 4.39Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.26Å; K107-N205 VanDerWaalsContact CD-O 3.26Å; K107-N205 WeakPolarHBondContact CD-O 3.4Å; K107-N205 WeakPolarHBondContact CE-O 3.4Å; K107-N205 PolarHBondContact NZ-O 3.46Å; K107-N205 PolarHBondContact NZ-OD1 3.42Å; K107-H209 HydrophobicContact CG-CB 4.31Å; K107-L212 HydrophobicContact CB-CD1 4.15Å
108E85.1Confident82.9Confident59 Ų5938 Ų3828%0.27621%0.213SC..Hα-helixtrans-61.4-39.1-175.7-70.1-166.917900111I78 K81 L104 L111 L112I78-E108 HydrophobicContact CD1-CB 4.33Å; I78-E108 HydrophobicContact CD1-CG 4.08Å; I78-E108 WeakPolarHBondContact CD1-OE2 3.17Å; I78-E108 WeakPolarHBondContact CG1-OE2 3.4Å; K81-E108 IonicContact NZ-OE1 2.6Å; K81-E108 IonicContact NZ-OE2 2.78Å; L104-E108 PolarHBondContact O-N 2.93Å; E108-L111 PolarHBondContact O-N 3.44Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.03Å
109T84.4Confident82.2Confident9 Ų941.5 Ų41.56%0.05524%0.237CC..Hα-helixtrans-63.9-44.1174.9-54.60000112.3C16 I21 L74 C105 L106 K107 L112 L113C16-T109 WeakPolarHBondContact O-CG2 3.5Å; I21-T109 HydrophobicContact CD1-CG2 4.01Å; I21-T109 WeakPolarHBondContact CD1-OG1 3.41Å; L74-T109 WeakPolarHBondContact CD2-OG1 3.42Å; C105-T109 WeakPolarHBondContact O-CB 3.32Å; C105-T109 PolarHBondContact O-N 3.35Å; C105-T109 PolarHBondContact O-OG1 3.46Å; L106-T109 PolarHBondContact O-N 3.03Å; K107-T109 VanDerWaalsContact C-N 3.27Å; K107-T109 PolarHBondContact O-N 3.41Å; T109-L112 PolarHBondContact O-N 3.09Å; T109-L113 HydrophobicContact CG2-CD1 4.18Å; T109-L113 VanDerWaalsContact O-CG 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.46Å; T109-L113 PolarHBondContact O-N 3.35Å
110M83.8Confident81.1Confident0 Ų044.8 Ų44.80%027%0.271CS..Hα-helixtrans-66.3-38.4178.1-68.2172.872.600112.2L18 L106 K107 L112 L113 A114 D136 L138 H209 L212L18-M110 HydrophobicContact CD1-CG 3.53Å; L18-M110 HydrophobicContact CD1-SD 4.32Å; L106-M110 HydrophobicContact CD1-SD 4.37Å; L106-M110 HydrophobicContact CD2-SD 4.47Å; L106-M110 HydrophobicContact CG-SD 3.91Å; L106-M110 VanDerWaalsContact O-CG 3.23Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 3.02Å; K107-M110 PolarHBondContact O-N 2.92Å; M110-L112 PolarHBondContact O-N 2.86Å; M110-L113 PolarHBondContact O-N 3.06Å; M110-A114 WeakPolarHBondContact O-CB 3.48Å; M110-A114 PolarHBondContact O-N 2.91Å; M110-D136 HydrophobicContact CB-CB 4.39Å; M110-D136 HydrophobicContact CE-CB 4.22Å; M110-D136 WeakPolarHBondContact CE-O 3.4Å; M110-L138 HydrophobicContact CE-CD1 4.35Å; M110-L138 HydrophobicContact CE-CD2 4.22Å; M110-L138 HydrophobicContact CE-CG 4Å; M110-L138 HydrophobicContact SD-CD2 4.4Å; M110-H209 WeakPolarHBondContact CB-NE2 3.33Å; M110-L212 HydrophobicContact CE-CD2 4.44Å; M110-L212 HydrophobicContact CE-CG 4.34Å; M110-L212 HydrophobicContact SD-CD1 3.89Å; M110-L212 HydrophobicContact SD-CD2 4.02Å; M110-L212 HydrophobicContact SD-CG 3.99Å
111L84.3Confident79.6Confident83 Ų8354.4 Ų54.444%0.43531%0.313SS..Hα-helixtrans-62.6-41.2173.8-71.7176.5000112.3K107 E108 A114 A115K107-L111 HydrophobicContact CG-CD1 4.05Å; K107-L111 HydrophobicContact CG-CG 4.39Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.26Å; E108-L111 PolarHBondContact O-N 3.44Å; L111-A114 PolarHBondContact O-N 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.39Å; L111-A115 PolarHBondContact O-N 3.26Å
112L83.1Confident78.2Confident96 Ų9660.4 Ų60.450%0.50335%0.351SS..Hα-helixtrans-66-38.7175.1-71.4168.7000112.1E108 T109 M110 N116E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.03Å; T109-L112 PolarHBondContact O-N 3.09Å; M110-L112 PolarHBondContact O-N 2.86Å; L112-N116 WeakPolarHBondContact O-CB 2.74Å; L112-N116 PolarHBondContact O-N 3.41Å; L112-N116 PolarHBondContact O-ND2 3.37Å
113L80.4Confident76.5Confident52 Ų5265.4 Ų65.427%0.27238%0.378SS..Hα-helixtrans-65.9-42.2175.3-71.4170.2000111.8L18 T109 M110 N116 F117 P135L18-L113 HydrophobicContact CB-CD1 4.25Å; L18-L113 HydrophobicContact CD1-CD1 4.41Å; T109-L113 HydrophobicContact CG2-CD1 4.18Å; T109-L113 VanDerWaalsContact O-CG 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.46Å; T109-L113 PolarHBondContact O-N 3.35Å; M110-L113 PolarHBondContact O-N 3.06Å; L113-N116 PolarHBondContact O-N 3.05Å; L113-F117 PolarHBondContact O-N 3.47Å; L113-P135 HydrophobicContact CB-CB 4.29Å; L113-P135 HydrophobicContact CB-CG 4.17Å; L113-P135 WeakPolarHBondContact O-CG 3.15Å
114A79.1Confident74.9Confident37 Ų3771.4 Ų71.431%0.30642%0.417SS..Hα-helixtrans-65.3-43.5175.500000112.4M110 L111 N116 F117 D136M110-A114 WeakPolarHBondContact O-CB 3.48Å; M110-A114 PolarHBondContact O-N 2.91Å; L111-A114 PolarHBondContact O-N 3.29Å; A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.03Å; A114-F117 WeakPolarHBondContact O-CB 3.34Å; A114-F117 PolarHBondContact O-N 2.74Å; A114-F117 VanDerWaalsContact O-N 3.11Å; A114-D136 HydrophobicContact CB-CB 4.35Å
115A79.5Confident72.9Confident81 Ų8181.5 Ų81.567%0.66946%0.455SS*.Hα-helixtrans-64.3-28.6178.700000113.4L111L111-A115 WeakPolarHBondContact O-CB 3.39Å; L111-A115 PolarHBondContact O-N 3.26Å
116N77.8Confident71.1Confident121 Ų12185 Ų8565%0.64748%0.476SS*.THydrogen-bonded Turntrans-86.7-1.7176.8-70.9-44000113.6L112 L113 A114L112-N116 WeakPolarHBondContact O-CB 2.74Å; L112-N116 PolarHBondContact O-N 3.41Å; L112-N116 PolarHBondContact O-ND2 3.37Å; L113-N116 PolarHBondContact O-N 3.05Å; A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.03Å
117F77Confident69.1Low66 Ų6691.2 Ų91.229%0.28952%0.516SS..  trans-92.2110.4-176.9-176.5-114000112.5L113 A114 P119 A132 P135L113-F117 PolarHBondContact O-N 3.47Å; A114-F117 WeakPolarHBondContact O-CB 3.34Å; A114-F117 PolarHBondContact O-N 2.74Å; A114-F117 VanDerWaalsContact O-N 3.11Å; F117-P119 HydrophobicContact CE1-CB 4.03Å; F117-P119 HydrophobicContact CE1-CG 4.18Å; F117-P119 HydrophobicContact CZ-CB 4.2Å; F117-A132 HydrophobicContact CZ-CB 4.24Å; F117-P135 HydrophobicContact CB-CG 3.87Å; F117-P135 VanDerWaalsContact CD2-CD 3.43Å; F117-P135 HydrophobicContact CD2-CG 4.05Å; F117-P135 HydrophobicContact CG-CG 4.08Å
118N67.6Low67.1Low151 Ų15199.6 Ų99.681%0.80756%0.556SS**  trans-109.9101.9171-80.9-61.4000110.3
119P67.9Low65.5Low90 Ų90102 Ų10258%0.58457%0.574SS**PPolyproline II helixtrans-68.9138.2174.627.7-33000111F117F117-P119 HydrophobicContact CE1-CB 4.03Å; F117-P119 HydrophobicContact CE1-CG 4.18Å; F117-P119 HydrophobicContact CZ-CB 4.2Å
120G61.8Low63.8Low70 Ų70105.3 Ų105.372%0.72260%0.603SS**PPolyproline II helixtrans-65.1151.3171.300000111.7
121K55.2Low62.5Low203 Ų203110.9 Ų110.988%0.88364%0.639SS**PPolyproline II helixtrans-58.1133.3176.6-74.2-174.7176.8-178.30110.5N123K121-N123 PolarHBondContact O-N 2.92Å
122P55.4Low61.5Low125 Ų125110.5 Ų110.581%0.81265%0.648SS**PPolyproline II helixtrans-62.7133.6178.125.7-33.6000110.6P124P122-P124 WeakPolarHBondContact O-CD 3.49Å
123N51.9Low60.5Low106 Ų106113.1 Ų113.157%0.56766%0.661SS**  trans-88.4113.3179.8-175.53.2000109.6K121 R125K121-N123 PolarHBondContact O-N 2.92Å; N123-R125 PolarHBondContact O-N 3.29Å
124P52.8Low60.1Low126 Ų126112.8 Ų112.882%0.81866%0.664SS**THydrogen-bonded Turntrans-712.2-170.729.3-37000114.9P122P122-P124 WeakPolarHBondContact O-CD 3.49Å
125R45Very low59.5Low223 Ų223113.5 Ų113.584%0.84267%0.665SS**THydrogen-bonded Turntrans-95.1-5.9-177.1-69.1-176.2173.9163.4-0.9114.9N123N123-R125 PolarHBondContact O-N 3.29Å
126T47.3Very low59.2Low73 Ų73110.5 Ų110.545%0.44864%0.638SS.*  trans-142.189.518049.20000110.5E128T126-E128 PolarHBondContact O-N 3.47Å
127P43.8Very low59.1Low131 Ų131107 Ų10785%0.85163%0.625SS**THydrogen-bonded Turntrans-70.1-7.3-178.228.6-35.1000114.3
128E47.1Very low59.3Low189 Ų189105.1 Ų105.188%0.88362%0.618SS**THydrogen-bonded Turntrans-81.2-12.1-179.4-60.4-176.1159.600114.1T126 A130T126-E128 PolarHBondContact O-N 3.47Å; E128-A130 PolarHBondContact O-N 3.4Å
129V50.7Low60Low109 Ų109100.6 Ų100.666%0.66160%0.598SS**SBendtrans-86.796.9178.6-1750000109.3
130A48.1Very low60.7Low80 Ų80102 Ų10266%0.66160%0.6SS**PPolyproline II helixtrans-53.6140.117100000110.6E128 A132E128-A130 PolarHBondContact O-N 3.4Å; A130-A132 PolarHBondContact O-N 2.97Å
131P57.8Low61.6Low117 Ų117102 Ų10276%0.7659%0.589SS**PPolyproline II helixtrans-58.6140.4177.725.1-33.7000110.2L133P131-L133 PolarHBondContact O-N 3.47Å; P131-L133 VanDerWaalsContact O-N 3.14Å
132A61.5Low62.9Low75 Ų7593.7 Ų93.762%0.6255%0.553SS**PPolyproline II helixtrans-56.6121.5178.900000109.9F117 A130 S134F117-A132 HydrophobicContact CZ-CB 4.24Å; A130-A132 PolarHBondContact O-N 2.97Å; A132-S134 PolarHBondContact O-N 3.32Å
133L62.9Low64.3Low150 Ų15091.4 Ų91.479%0.78553%0.531SS*.PPolyproline II helixtrans-56.5134.8174.5-73.5166.3000109.3P131P131-L133 PolarHBondContact O-N 3.47Å; P131-L133 VanDerWaalsContact O-N 3.14Å
134S71.4Confident65.8Low46 Ų4692 Ų9232%0.32253%0.529SS..PPolyproline II helixtrans-67.3146.1177.952.70000110.5A132 D136 A137A132-S134 PolarHBondContact O-N 3.32Å; S134-D136 WeakPolarHBondContact CB-OD1 3.29Å; S134-D136 PolarHBondContact O-N 3.01Å; S134-D136 PolarHBondContact OG-OD1 3.35Å; S134-A137 VanDerWaalsContact O-CB 3.27Å; S134-A137 WeakPolarHBondContact O-CB 3.46Å; S134-A137 PolarHBondContact O-N 3.48Å
135P67.9Low67.3Low52 Ų5286.8 Ų86.834%0.33850%0.495SS..THydrogen-bonded Turntrans-71.6-0.5-17229.4-37.1000114.4L113 F117L113-P135 HydrophobicContact CB-CB 4.29Å; L113-P135 HydrophobicContact CB-CG 4.17Å; L113-P135 WeakPolarHBondContact O-CG 3.15Å; F117-P135 HydrophobicContact CB-CG 3.87Å; F117-P135 VanDerWaalsContact CD2-CD 3.43Å; F117-P135 HydrophobicContact CD2-CG 4.05Å; F117-P135 HydrophobicContact CG-CG 4.08Å
136D71.6Confident69.2Low18 Ų1876.2 Ų76.210%0.09646%0.455CS..THydrogen-bonded Turntrans-92.82.817068.9-33.7000113.3M110 A114 S134 L138 H209 S211M110-D136 HydrophobicContact CB-CB 4.39Å; M110-D136 HydrophobicContact CE-CB 4.22Å; M110-D136 WeakPolarHBondContact CE-O 3.4Å; A114-D136 HydrophobicContact CB-CB 4.35Å; S134-D136 WeakPolarHBondContact CB-OD1 3.29Å; S134-D136 PolarHBondContact O-N 3.01Å; S134-D136 PolarHBondContact OG-OD1 3.35Å; D136-L138 PolarHBondContact O-N 3.3Å; D136-H209 IonicContact OD2-CE1 3.75Å; D136-H209 PolarHBondContact OD2-CE1 2.83Å; D136-H209 IonicContact OD2-NE2 3.83Å; D136-S211 PolarHBondContact O-OG 3.18Å
137A77.3Confident71Confident46 Ų4675.8 Ų75.838%0.3845%0.448SS..  trans-79.3110.7172.900000111.2S134S134-A137 VanDerWaalsContact O-CB 3.27Å; S134-A137 WeakPolarHBondContact O-CB 3.46Å; S134-A137 PolarHBondContact O-N 3.48Å
138L81Confident72.9Confident28 Ų2874.8 Ų74.815%0.14743%0.43CS..  trans-73.5133.1174.7-63.5174.7000111.1L18 L22 M110 D136 Q142 V146 L212 L215L18-L138 HydrophobicContact CD2-CD2 4.11Å; L22-L138 HydrophobicContact CD1-CD2 4.37Å; M110-L138 HydrophobicContact CE-CD1 4.35Å; M110-L138 HydrophobicContact CE-CD2 4.22Å; M110-L138 HydrophobicContact CE-CG 4Å; M110-L138 HydrophobicContact SD-CD2 4.4Å; D136-L138 PolarHBondContact O-N 3.3Å; L138-Q142 HydrophobicContact CB-CB 4.32Å; L138-Q142 HydrophobicContact CD2-CB 4.25Å; L138-V146 HydrophobicContact CD1-CG2 4.19Å; L138-L212 HydrophobicContact CD1-CD2 3.91Å; L138-L215 HydrophobicContact CD1-CD1 4.32Å
139S82.3Confident74.8Confident55 Ų5565.8 Ų65.839%0.38539%0.388SS..  trans-68.7159.2170.1670000112S141 Q142 Q143S139-S141 PolarHBondContact O-N 3.3Å; S139-S141 PolarHBondContact OG-OG 3.32Å; S139-Q142 CarbonylContact O-C 3.52Å; S139-Q142 WeakPolarHBondContact O-CA 3.48Å; S139-Q142 WeakPolarHBondContact O-CB 3.38Å; S139-Q142 PolarHBondContact O-N 3.44Å; S139-Q142 VanDerWaalsContact OG-CG 3.28Å; S139-Q142 WeakPolarHBondContact OG-CG 3.48Å; S139-Q142 PolarHBondContact OG-OE1 2.99Å; S139-Q143 WeakPolarHBondContact O-CB 3.38Å; S139-Q143 PolarHBondContact O-N 2.86Å
140I81.9Confident76.4Confident121 Ų12160.7 Ų60.762%0.62136%0.357SS*.Hα-helixtrans-53.9-34.4-176.3-59.5170.9000112.8K144I140-K144 WeakPolarHBondContact O-CG 3.16Å; I140-K144 PolarHBondContact O-N 2.8Å
141S80.1Confident78.1Confident70 Ų7060.6 Ų60.649%0.4934%0.343SS..Hα-helixtrans-75.2-36178.365.10000112.7S139 T145S139-S141 PolarHBondContact O-N 3.3Å; S139-S141 PolarHBondContact OG-OG 3.32Å; S141-T145 PolarHBondContact O-N 3.49Å; S141-T145 VanDerWaalsContact O-N 3.11Å; S141-T145 PolarHBondContact O-OG1 3.1Å
142Q83.6Confident79.3Confident27 Ų2757.7 Ų57.713%0.12632%0.319CS..Hα-helixtrans-71.4-41.7174.2-61.2166.7-43.100110.1D19 L22 L138 S139 K144 T145 V146D19-Q142 PolarHBondContact OD1-NE2 2.73Å; L22-Q142 HydrophobicContact CD1-CB 3.93Å; L22-Q142 HydrophobicContact CD1-CG 3.72Å; L138-Q142 HydrophobicContact CB-CB 4.32Å; L138-Q142 HydrophobicContact CD2-CB 4.25Å; S139-Q142 CarbonylContact O-C 3.52Å; S139-Q142 WeakPolarHBondContact O-CA 3.48Å; S139-Q142 WeakPolarHBondContact O-CB 3.38Å; S139-Q142 PolarHBondContact O-N 3.44Å; S139-Q142 VanDerWaalsContact OG-CG 3.28Å; S139-Q142 WeakPolarHBondContact OG-CG 3.48Å; S139-Q142 PolarHBondContact OG-OE1 2.99Å; Q142-K144 PolarHBondContact O-N 2.85Å; Q142-T145 VanDerWaalsContact O-CB 3.3Å; Q142-T145 WeakPolarHBondContact O-CB 3.09Å; Q142-T145 PolarHBondContact O-N 3.4Å; Q142-T145 VanDerWaalsContact O-N 3.13Å; Q142-V146 WeakPolarHBondContact O-CG2 3.44Å; Q142-V146 PolarHBondContact O-N 2.76Å
143Q84.1Confident80.4Confident77 Ų7754.1 Ų54.136%0.3629%0.289SS..Hα-helixtrans-57.4-48.9173.4-172-174.85.400111.8S139 T145 V146 Q147 L215S139-Q143 WeakPolarHBondContact O-CB 3.38Å; S139-Q143 PolarHBondContact O-N 2.86Å; Q143-T145 VanDerWaalsContact C-N 3.31Å; Q143-T145 PolarHBondContact O-N 2.9Å; Q143-V146 PolarHBondContact O-N 2.8Å; Q143-Q147 WeakPolarHBondContact O-CB 3.47Å; Q143-Q147 PolarHBondContact O-N 2.91Å; Q143-L215 HydrophobicContact CG-CD1 4Å; Q143-L215 HydrophobicContact CG-CD2 3.56Å; Q143-L215 HydrophobicContact CG-CG 4.45Å
144K83.8Confident81.4Confident120 Ų12047.1 Ų47.152%0.52225%0.253SS..Hα-helixtrans-58.5-41.6173.8-76.8176.9179.9-176.30112.2I140 Q142 Q147 F148I140-K144 WeakPolarHBondContact O-CG 3.16Å; I140-K144 PolarHBondContact O-N 2.8Å; Q142-K144 PolarHBondContact O-N 2.85Å; K144-Q147 PolarHBondContact O-N 2.85Å; K144-F148 WeakPolarHBondContact O-CD2 3.41Å; K144-F148 PolarHBondContact O-N 2.69Å
145T84Confident81.8Confident16 Ų1645.8 Ų45.810%0.09824%0.243CC..Hα-helixtrans-58.8-52.8176.2-560000110.4K26 S141 Q142 Q143 Q147 F148 V149K26-T145 HydrophobicContact CD-CG2 4.4Å; K26-T145 VanDerWaalsContact CE-OG1 3.23Å; K26-T145 WeakPolarHBondContact CE-OG1 3.35Å; K26-T145 HydrophobicContact CG-CG2 3.57Å; S141-T145 PolarHBondContact O-N 3.49Å; S141-T145 VanDerWaalsContact O-N 3.11Å; S141-T145 PolarHBondContact O-OG1 3.1Å; Q142-T145 VanDerWaalsContact O-CB 3.3Å; Q142-T145 WeakPolarHBondContact O-CB 3.09Å; Q142-T145 PolarHBondContact O-N 3.4Å; Q142-T145 VanDerWaalsContact O-N 3.13Å; Q143-T145 VanDerWaalsContact C-N 3.31Å; Q143-T145 PolarHBondContact O-N 2.9Å; T145-Q147 VanDerWaalsContact C-N 3.34Å; T145-Q147 PolarHBondContact O-N 3.47Å; T145-F148 PolarHBondContact O-N 3.43Å; T145-V149 WeakPolarHBondContact O-CG2 3.44Å; T145-V149 PolarHBondContact O-N 3.28Å
146V85.6Confident82.3Confident1 Ų143.4 Ų43.41%0.00623%0.227CC..Hα-helixtrans-62-40.2179.2174.30000111.4L22 L103 L106 L138 Q142 Q143 F148 V149 L150 L212 L215L22-V146 HydrophobicContact CD2-CG2 3.74Å; L103-V146 HydrophobicContact CD2-CG1 4.4Å; L106-V146 HydrophobicContact CD2-CG2 3.85Å; L138-V146 HydrophobicContact CD1-CG2 4.19Å; Q142-V146 WeakPolarHBondContact O-CG2 3.44Å; Q142-V146 PolarHBondContact O-N 2.76Å; Q143-V146 PolarHBondContact O-N 2.8Å; V146-F148 PolarHBondContact O-N 2.85Å; V146-V149 PolarHBondContact O-N 3.35Å; V146-V149 VanDerWaalsContact O-N 3.16Å; V146-L150 HydrophobicContact CG1-CD1 3.95Å; V146-L150 HydrophobicContact CG1-CG 4.24Å; V146-L150 VanDerWaalsContact O-CG 3.32Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.12Å; V146-L212 HydrophobicContact CG1-CD2 4.21Å; V146-L215 HydrophobicContact CB-CD1 4.3Å; V146-L215 HydrophobicContact CG1-CD1 3.93Å
147Q85.1Confident82.6Confident63 Ų6342.6 Ų42.629%0.29422%0.223SC..Hα-helixtrans-59.9-42.3176-172.7178.218.700112.2Q143 K144 T145 L150 Q151 H219Q143-Q147 WeakPolarHBondContact O-CB 3.47Å; Q143-Q147 PolarHBondContact O-N 2.91Å; K144-Q147 PolarHBondContact O-N 2.85Å; T145-Q147 VanDerWaalsContact C-N 3.34Å; T145-Q147 PolarHBondContact O-N 3.47Å; Q147-L150 PolarHBondContact O-N 3.48Å; Q147-Q151 WeakPolarHBondContact O-CB 3.48Å; Q147-Q151 PolarHBondContact O-N 3.49Å; Q147-H219 PolarHBondContact NE2-CD2 3.38Å; Q147-H219 VanDerWaalsContact NE2-CD2 3.3Å; Q147-H219 PolarHBondContact NE2-NE2 3.18Å; Q147-H219 VanDerWaalsContact NE2-NE2 3.11Å
148F83.3Confident82.8Confident110 Ų11040.4 Ų40.448%0.48221%0.205SC..Hα-helixtrans-64.8-42.9173-71.4-57.1000112L29 K144 T145 V146 L150 Q151 F152L29-F148 HydrophobicContact CD1-CB 3.76Å; K144-F148 WeakPolarHBondContact O-CD2 3.41Å; K144-F148 PolarHBondContact O-N 2.69Å; T145-F148 PolarHBondContact O-N 3.43Å; V146-F148 PolarHBondContact O-N 2.85Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 2.96Å; F148-Q151 WeakPolarHBondContact O-CB 3.32Å; F148-Q151 PolarHBondContact O-N 2.95Å; F148-F152 WeakPolarHBondContact O-CD2 3.42Å; F148-F152 PolarHBondContact O-N 2.87Å
149V86.1Confident82.7Confident0 Ų039.8 Ų39.80%020%0.202CC..Hα-helixtrans-57.4-49.2175.7-179.10000110.5L25 L29 T99 L103 T145 V146 Q151 F152 V153L25-V149 HydrophobicContact CB-CG2 3.88Å; L25-V149 HydrophobicContact CD1-CG2 4.27Å; L25-V149 HydrophobicContact CD2-CG1 3.92Å; L25-V149 HydrophobicContact CD2-CG2 3.93Å; L25-V149 HydrophobicContact CG-CG2 4.24Å; L29-V149 HydrophobicContact CD1-CB 4.46Å; L29-V149 HydrophobicContact CD1-CG2 3.54Å; L29-V149 HydrophobicContact CG-CG2 4.14Å; T99-V149 HydrophobicContact CG2-CG1 4.34Å; L103-V149 HydrophobicContact CD1-CG1 3.92Å; L103-V149 HydrophobicContact CD2-CG1 4.14Å; L103-V149 HydrophobicContact CG-CG1 4.07Å; T145-V149 WeakPolarHBondContact O-CG2 3.44Å; T145-V149 PolarHBondContact O-N 3.28Å; V146-V149 PolarHBondContact O-N 3.35Å; V146-V149 VanDerWaalsContact O-N 3.16Å; V149-Q151 VanDerWaalsContact C-N 3.31Å; V149-Q151 PolarHBondContact O-N 2.78Å; V149-F152 PolarHBondContact O-N 2.78Å; V149-F152 VanDerWaalsContact O-N 3.17Å; V149-V153 HydrophobicContact CG1-CG2 4.18Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.22Å
150L85.1Confident82.4Confident2 Ų238.2 Ų38.21%0.0119%0.191CC..Hα-helixtrans-59.5-41.4178.5-69.5173.2000111.6L103 V146 Q147 F148 F152 V153 V154 L203 L215 I216L103-L150 HydrophobicContact CD1-CD2 3.89Å; V146-L150 HydrophobicContact CG1-CD1 3.95Å; V146-L150 HydrophobicContact CG1-CG 4.24Å; V146-L150 VanDerWaalsContact O-CG 3.32Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.12Å; Q147-L150 PolarHBondContact O-N 3.48Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 2.96Å; L150-F152 PolarHBondContact O-N 3.5Å; L150-V153 PolarHBondContact O-N 2.86Å; L150-V154 WeakPolarHBondContact O-CB 3.49Å; L150-V154 VanDerWaalsContact O-CG2 3.27Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 3.44Å; L150-L203 HydrophobicContact CD2-CD2 3.69Å; L150-L215 HydrophobicContact CD1-CB 4.02Å; L150-I216 HydrophobicContact CD1-CG1 3.67Å; L150-I216 HydrophobicContact CD2-CD1 4.21Å; L150-I216 HydrophobicContact CD2-CG1 3.79Å; L150-I216 HydrophobicContact CG-CG1 4.39Å
151Q84.6Confident82.3Confident79 Ų7933 Ų3337%0.36916%0.164SC..Hα-helixtrans-60.3-44.1175.1-174.2178.73.600112.3Q147 F148 V149 T155Q147-Q151 WeakPolarHBondContact O-CB 3.48Å; Q147-Q151 PolarHBondContact O-N 3.49Å; F148-Q151 WeakPolarHBondContact O-CB 3.32Å; F148-Q151 PolarHBondContact O-N 2.95Å; V149-Q151 VanDerWaalsContact C-N 3.31Å; V149-Q151 PolarHBondContact O-N 2.78Å; Q151-T155 WeakPolarHBondContact O-CB 3.44Å; Q151-T155 PolarHBondContact O-N 2.93Å; Q151-T155 PolarHBondContact O-OG1 3.43Å
152F81.8Confident82.2Confident55 Ų5531 Ų3124%0.24115%0.147CC..Hα-helixtrans-64.8-46.3175.1-88.9-88.9000112.1L29 F95 F148 V149 L150 V154 T155 L156 F176L29-F152 HydrophobicContact CD2-CB 4.41Å; L29-F152 HydrophobicContact CD2-CD2 3.38Å; L29-F152 HydrophobicContact CD2-CE2 3.72Å; L29-F152 HydrophobicContact CD2-CG 3.94Å; F95-F152 HydrophobicContact CE1-CB 4.44Å; F95-F152 HydrophobicContact CE1-CD1 4.42Å; F148-F152 WeakPolarHBondContact O-CD2 3.42Å; F148-F152 PolarHBondContact O-N 2.87Å; V149-F152 PolarHBondContact O-N 2.78Å; V149-F152 VanDerWaalsContact O-N 3.17Å; L150-F152 PolarHBondContact O-N 3.5Å; F152-V154 VanDerWaalsContact C-N 3.33Å; F152-V154 PolarHBondContact O-N 3.47Å; F152-T155 PolarHBondContact O-N 3.09Å; F152-L156 HydrophobicContact CD1-CD1 4.17Å; F152-L156 WeakPolarHBondContact O-CB 3.01Å; F152-L156 PolarHBondContact O-N 2.88Å; F152-F176 HydrophobicContact CE1-CE1 4.18Å; F152-F176 AromaticContact CE1-CZ 3.77Å; F152-F176 HydrophobicContact CE1-CZ 3.77Å; F152-F176 HydrophobicContact CZ-CZ 4.18Å
153V85Confident81.8Confident0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-60.2-40.6177.7170.80000111.6T96 T99 L100 L103 V149 L150 G157 L203T96-V153 HydrophobicContact CG2-CG1 4.49Å; T99-V153 WeakPolarHBondContact OG1-CG2 3.34Å; L100-V153 HydrophobicContact CD2-CG1 3.56Å; L100-V153 HydrophobicContact CG-CG1 4.01Å; L103-V153 HydrophobicContact CD1-CG2 4.2Å; V149-V153 HydrophobicContact CG1-CG2 4.18Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.22Å; L150-V153 PolarHBondContact O-N 2.86Å; V153-G157 WeakPolarHBondContact O-CA 3.37Å; V153-G157 PolarHBondContact O-N 3.42Å; V153-L203 HydrophobicContact CG1-CD1 4.08Å; V153-L203 HydrophobicContact CG1-CD2 4.14Å; V153-L203 HydrophobicContact CG1-CG 4.3Å
154V83.1Confident81.1Confident3 Ų334.7 Ų34.72%0.01818%0.175CC..Hα-helixtrans-72.6-39.9177.7172.80000111.2L150 F152 I158 C159 L203 H220 D223L150-V154 WeakPolarHBondContact O-CB 3.49Å; L150-V154 VanDerWaalsContact O-CG2 3.27Å; L150-V154 WeakPolarHBondContact O-CG2 3.33Å; L150-V154 PolarHBondContact O-N 3.44Å; F152-V154 VanDerWaalsContact C-N 3.33Å; F152-V154 PolarHBondContact O-N 3.47Å; V154-I158 HydrophobicContact CG2-CD1 4.46Å; V154-I158 PolarHBondContact O-N 2.88Å; V154-I158 VanDerWaalsContact O-N 3.17Å; V154-C159 PolarHBondContact O-N 3.21Å; V154-C159 PolarHBondContact O-SG 2.87Å; V154-L203 HydrophobicContact CG2-CD1 4.19Å; V154-H220 HydrophobicContact CG2-CB 3.91Å; V154-D223 HydrophobicContact CG1-CB 3.71Å; V154-D223 WeakPolarHBondContact CG1-OD2 3.2Å
155T80.2Confident80.4Confident19 Ų1929.4 Ų29.412%0.11716%0.155CC..Hα-helixtrans-71.1-30.3-179.4-68.80000113.7Q151 F152 P160 L170 F176 V180Q151-T155 WeakPolarHBondContact O-CB 3.44Å; Q151-T155 PolarHBondContact O-N 2.93Å; Q151-T155 PolarHBondContact O-OG1 3.43Å; F152-T155 PolarHBondContact O-N 3.09Å; T155-P160 VanDerWaalsContact O-CD 3.23Å; T155-P160 WeakPolarHBondContact O-CD 3.24Å; T155-P160 WeakPolarHBondContact O-CG 3.45Å; T155-L170 HydrophobicContact CG2-CD2 3.99Å; T155-F176 HydrophobicContact CG2-CE1 4.33Å; T155-V180 HydrophobicContact CG2-CB 4.32Å; T155-V180 HydrophobicContact CG2-CG1 4.04Å; T155-V180 HydrophobicContact CG2-CG2 4.07Å
156L79.6Confident79.9Confident2 Ų229 Ų291%0.0115%0.152CC..Hα-helixtrans-101.3-29.9177.9-64.2169.2000113.4T92 F95 T96 F152 Y161 V180T92-L156 HydrophobicContact CG2-CD2 4.36Å; F95-L156 HydrophobicContact CD1-CD1 3.8Å; F95-L156 HydrophobicContact CE1-CD1 4.09Å; T96-L156 WeakPolarHBondContact OG1-CB 3.29Å; F152-L156 HydrophobicContact CD1-CD1 4.17Å; F152-L156 WeakPolarHBondContact O-CB 3.01Å; F152-L156 PolarHBondContact O-N 2.88Å; L156-Y161 VanDerWaalsContact O-CE2 3.3Å; L156-Y161 WeakPolarHBondContact O-CE2 3.47Å; L156-V180 HydrophobicContact CD2-CG1 3.63Å; L156-V180 HydrophobicContact CD2-CG2 4.32Å
157G77.6Confident79.2Confident0 Ų029.7 Ų29.70%016%0.16CC..Hα-helixtrans-103.7-17.9-169.700000116.4V153 Y161 S199V153-G157 WeakPolarHBondContact O-CA 3.37Å; V153-G157 PolarHBondContact O-N 3.42Å; G157-Y161 WeakPolarHBondContact O-CD2 3.27Å; G157-S199 WeakPolarHBondContact O-CB 3.49Å; G157-S199 PolarHBondContact O-OG 3.34Å
158I81.6Confident78.4Confident0 Ų029.5 Ų29.50%016%0.163CC..THydrogen-bonded Turntrans-121.7-63.8178.5-67.6179.8000110.7V154 Y161 L162 L196 L203 D223 I224V154-I158 HydrophobicContact CG2-CD1 4.46Å; V154-I158 PolarHBondContact O-N 2.88Å; V154-I158 VanDerWaalsContact O-N 3.17Å; I158-Y161 PolarHBondContact O-N 3.25Å; I158-L162 HydrophobicContact CG2-CD1 4.37Å; I158-L162 HydrophobicContact CG2-CD2 4.39Å; I158-L162 HydrophobicContact CG2-CG 4.39Å; I158-L196 HydrophobicContact CB-CD1 4.27Å; I158-L196 HydrophobicContact CG1-CD1 4.33Å; I158-L196 HydrophobicContact CG2-CD1 3.93Å; I158-L203 HydrophobicContact CD1-CD1 3.65Å; I158-D223 HydrophobicContact CG2-CB 4.39Å; I158-I224 HydrophobicContact CD1-CG1 3.88Å
159C78.4Confident77.4Confident15 Ų1526.2 Ų26.210%0.10115%0.153CC..G310 helixtrans-56.5-35-168.7-65.50000116V154 Y161 L170V154-C159 PolarHBondContact O-N 3.21Å; V154-C159 PolarHBondContact O-SG 2.87Å; C159-Y161 VanDerWaalsContact C-N 3.27Å; C159-Y161 PolarHBondContact O-N 3.28Å; C159-L170 HydrophobicContact CB-CD1 3.82Å; C159-L170 HydrophobicContact CB-CD2 3.58Å; C159-L170 HydrophobicContact CB-CG 3.65Å
160P76.9Confident76.2Confident22 Ų2226.5 Ų26.514%0.14315%0.154CC..G310 helixtrans-68.8-23.2177.6-2135.1000113.8T155 L170 V180 V184T155-P160 VanDerWaalsContact O-CD 3.23Å; T155-P160 WeakPolarHBondContact O-CD 3.24Å; T155-P160 WeakPolarHBondContact O-CG 3.45Å; P160-L170 HydrophobicContact CG-CD1 4.1Å; P160-V180 HydrophobicContact CG-CG1 4.49Å; P160-V184 HydrophobicContact CB-CB 4.19Å; P160-V184 HydrophobicContact CB-CG1 4.11Å; P160-V184 HydrophobicContact CB-CG2 3.98Å; P160-V184 HydrophobicContact CG-CG2 3.94Å
161Y78.4Confident74.8Confident13 Ų1332 Ų325%0.05118%0.175CC..G310 helixtrans-98.12.2-175.8-48.7-70.2000113.1L156 G157 I158 C159 V184 L186 A192 R195 Q230L156-Y161 VanDerWaalsContact O-CE2 3.3Å; L156-Y161 WeakPolarHBondContact O-CE2 3.47Å; G157-Y161 WeakPolarHBondContact O-CD2 3.27Å; I158-Y161 PolarHBondContact O-N 3.25Å; C159-Y161 VanDerWaalsContact C-N 3.27Å; C159-Y161 PolarHBondContact O-N 3.28Å; Y161-V184 HydrophobicContact CE1-CG1 3.83Å; Y161-V184 WeakPolarHBondContact OH-CG1 3.41Å; Y161-L186 HydrophobicContact CD1-CD2 3.66Å; Y161-L186 HydrophobicContact CE1-CD2 3.88Å; Y161-A192 HydrophobicContact CD1-CB 3.71Å; Y161-A192 HydrophobicContact CE1-CB 4.39Å; Y161-R195 HydrophobicContact CD2-CB 4.48Å; Y161-R195 HydrophobicContact CE1-CB 4.41Å; Y161-R195 HydrophobicContact CE2-CB 4.22Å; Y161-R195 WeakPolarHBondContact OH-CD 3.4Å; Y161-R195 PolarHBondContact OH-NH1 2.72Å; Y161-Q230 PolarHBondContact O-NE2 2.95Å
162L79.1Confident73.6Confident27 Ų2734.1 Ų34.114%0.14118%0.18CC..SBendtrans-78.7138.5173.9-63.5179.7000111I158 V166 L196 A226I158-L162 HydrophobicContact CG2-CD1 4.37Å; I158-L162 HydrophobicContact CG2-CD2 4.39Å; I158-L162 HydrophobicContact CG2-CG 4.39Å; L162-V166 HydrophobicContact CD2-CG1 4.4Å; L162-L196 HydrophobicContact CD2-CD1 4.28Å; L162-L196 HydrophobicContact CD2-CD2 4.33Å; L162-A226 HydrophobicContact CD1-CB 3.96Å; L162-A226 HydrophobicContact CD2-CB 4.24Å
163M74.8Confident72.7Confident65 Ų6536.2 Ų36.232%0.3219%0.187SC..PPolyproline II helixtrans-65.7149.4176.1-74.6-158.8-59.800111.9G165 V166 C234 W301M163-G165 PolarHBondContact O-N 3.49Å; M163-G165 VanDerWaalsContact O-N 3.1Å; M163-V166 HydrophobicContact CB-CG2 3.95Å; M163-V166 HydrophobicContact CE-CG2 4.44Å; M163-V166 WeakPolarHBondContact O-CB 3.44Å; M163-V166 PolarHBondContact O-N 3.4Å; M163-C234 HydrophobicContact CE-CB 4.45Å; M163-C234 WeakPolarHBondContact CE-SG 3.43Å; M163-W301 HydrophobicContact CE-CZ2 3.82Å
164P69.9Low71.7Confident117 Ų11739.1 Ų39.176%0.7620%0.204SC*.THydrogen-bonded Turntrans-53.2118.3175.4-27.635.4000113
165G67.9Low70.5Confident9 Ų947.3 Ų47.39%0.09324%0.242CC..THydrogen-bonded Turntrans91.92.5-176.600000115.2M163 A298 P299M163-G165 PolarHBondContact O-N 3.49Å; M163-G165 VanDerWaalsContact O-N 3.1Å; G165-A298 WeakPolarHBondContact O-CA 3.49Å; G165-P299 VanDerWaalsContact O-CD 3.29Å; G165-P299 WeakPolarHBondContact O-CD 3.41Å
166V73.7Confident69.6Low6 Ų650.3 Ų50.34%0.03625%0.254CS..SBendtrans-101.2117168-176.70000107.7L162 M163 A226 P299 W301 L302L162-V166 HydrophobicContact CD2-CG1 4.4Å; M163-V166 HydrophobicContact CB-CG2 3.95Å; M163-V166 HydrophobicContact CE-CG2 4.44Å; M163-V166 WeakPolarHBondContact O-CB 3.44Å; M163-V166 PolarHBondContact O-N 3.4Å; V166-A226 HydrophobicContact CG1-CB 4.11Å; V166-P299 HydrophobicContact CG2-CG 4.05Å; V166-W301 HydrophobicContact CG2-CZ2 4.03Å; V166-L302 HydrophobicContact CB-CD2 4.37Å; V166-L302 HydrophobicContact CG1-CD2 4.15Å; V166-L302 HydrophobicContact CG2-CD2 4.15Å
167G71.4Confident68.7Low16 Ų1650.2 Ų50.217%0.16525%0.253CS..SBendtrans73.6-179.7-17100000114P169G167-P169 WeakPolarHBondContact O-CD 3.5Å
168V68.1Low68Low59 Ų5952.2 Ų52.236%0.35827%0.27SS..  trans-93116.5177.2-179.60000109.5R173 I278V168-R173 HydrophobicContact CG1-CG 4.21Å; V168-R173 PolarHBondContact O-NE 3.46Å; V168-R173 PolarHBondContact O-NH2 2.99Å; V168-I278 HydrophobicContact CG2-CG2 4.02Å
169P62.2Low67.2Low42 Ų4253.4 Ų53.427%0.27328%0.277SS..  trans-57.9141.5-175.4-26.433.8000114.4G167 R171 Y172G167-P169 WeakPolarHBondContact O-CD 3.5Å; P169-R171 VanDerWaalsContact C-N 3.29Å; P169-R171 HydrophobicContact CB-CG 4.13Å; P169-R171 PolarHBondContact O-N 3.01Å; P169-Y172 HydrophobicContact CB-CD2 3.83Å; P169-Y172 HydrophobicContact CB-CE2 4.13Å; P169-Y172 HydrophobicContact CG-CD2 4Å; P169-Y172 HydrophobicContact CG-CE2 4.09Å; P169-Y172 PolarHBondContact O-N 3.08Å
170L61.1Low66.5Low6 Ų652.7 Ų52.73%0.03127%0.272CS..G310 helixtrans-50.9-42.9-176.6-74.9169.2000113.9T155 C159 P160 Y172 R173 G177 V180T155-L170 HydrophobicContact CG2-CD2 3.99Å; C159-L170 HydrophobicContact CB-CD1 3.82Å; C159-L170 HydrophobicContact CB-CD2 3.58Å; C159-L170 HydrophobicContact CB-CG 3.65Å; P160-L170 HydrophobicContact CG-CD1 4.1Å; L170-Y172 PolarHBondContact O-N 2.88Å; L170-R173 PolarHBondContact O-N 3.26Å; L170-G177 WeakPolarHBondContact CB-O 3.42Å; L170-V180 HydrophobicContact CD1-CG1 4.31Å
171R56.2Low65.9Low118 Ų11856 Ų5645%0.44529%0.286SS..G310 helixtrans-56-16.3176.268.3-173.7-176.1-164.12.3115.8P169 A178P169-R171 VanDerWaalsContact C-N 3.29Å; P169-R171 HydrophobicContact CB-CG 4.13Å; P169-R171 PolarHBondContact O-N 3.01Å; R171-A178 HydrophobicContact CB-CB 4.46Å
172Y57.7Low65.1Low122 Ų12261.3 Ų61.348%0.47832%0.315SS..G310 helixtrans-106.62.3176.8-56-59.5000113.4P169 L170P169-Y172 HydrophobicContact CB-CD2 3.83Å; P169-Y172 HydrophobicContact CB-CE2 4.13Å; P169-Y172 HydrophobicContact CG-CD2 4Å; P169-Y172 HydrophobicContact CG-CE2 4.09Å; P169-Y172 PolarHBondContact O-N 3.08Å; L170-Y172 PolarHBondContact O-N 2.88Å
173R64.6Low64.3Low100 Ų10060.6 Ų60.638%0.37731%0.312SS..THydrogen-bonded Turntrans-100.9-46.6-179.7-64.3-174.3177.8-154.5-5.2112.6V168 L170 D223V168-R173 HydrophobicContact CG1-CG 4.21Å; V168-R173 PolarHBondContact O-NE 3.46Å; V168-R173 PolarHBondContact O-NH2 2.99Å; L170-R173 PolarHBondContact O-N 3.26Å; R173-D223 IonicContact CZ-OD1 3.58Å; R173-D223 IonicContact CZ-OD2 2.94Å; R173-D223 IonicContact NH1-OD1 2.74Å; R173-D223 PolarHBondContact NH1-OD1 2.92Å; R173-D223 IonicContact NH1-OD2 3.05Å; R173-D223 PolarHBondContact NH1-OD2 3.17Å; R173-D223 IonicContact NH2-OD1 2.64Å; R173-D223 PolarHBondContact NH2-OD1 3.3Å; R173-D223 IonicContact NH2-OD2 3.63Å
174T63.9Low64Low61 Ų6158.2 Ų58.237%0.37430%0.301SS..  trans-152155.6178.958.40000110.4F176 G177T174-F176 PolarHBondContact O-N 3.24Å; T174-G177 PolarHBondContact O-N 3.49Å; T174-G177 PolarHBondContact OG1-N 3.23Å
175E57.6Low63.7Low175 Ų17555.9 Ų55.982%0.81829%0.287SS*.Hα-helixtrans-59.1-32.3171.2-61.5-171.2170.100112.1G177 A178E175-G177 VanDerWaalsContact C-N 3.34Å; E175-A178 PolarHBondContact O-N 3.11Å
176F60.5Low63.4Low81 Ų8159.4 Ų59.436%0.35530%0.303SS..Hα-helixtrans-63.7-36.8173.7-177.2-98.9000112.6L47 F152 T155 T174 A178 V179 V180L47-F176 HydrophobicContact CD1-CD2 4.5Å; L47-F176 HydrophobicContact CD1-CE2 3.4Å; L47-F176 HydrophobicContact CD1-CZ 3.62Å; F152-F176 HydrophobicContact CE1-CE1 4.18Å; F152-F176 AromaticContact CE1-CZ 3.77Å; F152-F176 HydrophobicContact CE1-CZ 3.77Å; F152-F176 HydrophobicContact CZ-CZ 4.18Å; T155-F176 HydrophobicContact CG2-CE1 4.33Å; T174-F176 PolarHBondContact O-N 3.24Å; F176-A178 VanDerWaalsContact C-N 3.27Å; F176-A178 PolarHBondContact O-N 3.41Å; F176-V179 PolarHBondContact O-N 3.28Å; F176-V179 VanDerWaalsContact O-N 3.15Å; F176-V180 HydrophobicContact CD1-CG2 3.9Å; F176-V180 HydrophobicContact CE1-CG2 3.55Å; F176-V180 HydrophobicContact CZ-CG2 3.99Å; F176-V180 PolarHBondContact O-N 2.96Å
177G61.8Low62.7Low0 Ų067.1 Ų67.10%034%0.344CS..Hα-helixtrans-64.1-28.2179.700000114L170 T174 E175 Q181L170-G177 WeakPolarHBondContact CB-O 3.42Å; T174-G177 PolarHBondContact O-N 3.49Å; T174-G177 PolarHBondContact OG1-N 3.23Å; E175-G177 VanDerWaalsContact C-N 3.34Å; G177-Q181 PolarHBondContact O-N 3.31Å
178A61.8Low62.3Low43 Ų4367.5 Ų67.536%0.35535%0.346SS..Hα-helixtrans-67.8-45.1172.200000111.5R171 E175 F176 V180 Q181R171-A178 HydrophobicContact CB-CB 4.46Å; E175-A178 PolarHBondContact O-N 3.11Å; F176-A178 VanDerWaalsContact C-N 3.27Å; F176-A178 PolarHBondContact O-N 3.41Å; A178-V180 VanDerWaalsContact C-N 3.29Å; A178-V180 PolarHBondContact O-N 3.43Å; A178-Q181 PolarHBondContact O-N 3.14Å
179V64.6Low61.8Low24 Ų2468.5 Ų68.515%0.14536%0.36CS..Hα-helixtrans-63.1-35.1177.6-177.50000111.5K43 H44 F176 V183K43-V179 HydrophobicContact CB-CG1 4.15Å; K43-V179 HydrophobicContact CB-CG2 4.4Å; K43-V179 HydrophobicContact CD-CG2 4.45Å; H44-V179 PolarHBondContact CD2-O 3.19Å; F176-V179 PolarHBondContact O-N 3.28Å; F176-V179 VanDerWaalsContact O-N 3.15Å; V179-V183 WeakPolarHBondContact O-CG2 3.43Å
180V64.5Low61.9Low0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-69.6-37.8177.6169.50000112.5T155 L156 P160 L170 F176 A178 D182 V183 V184T155-V180 HydrophobicContact CG2-CB 4.32Å; T155-V180 HydrophobicContact CG2-CG1 4.04Å; T155-V180 HydrophobicContact CG2-CG2 4.07Å; L156-V180 HydrophobicContact CD2-CG1 3.63Å; L156-V180 HydrophobicContact CD2-CG2 4.32Å; P160-V180 HydrophobicContact CG-CG1 4.49Å; L170-V180 HydrophobicContact CD1-CG1 4.31Å; F176-V180 HydrophobicContact CD1-CG2 3.9Å; F176-V180 HydrophobicContact CE1-CG2 3.55Å; F176-V180 HydrophobicContact CZ-CG2 3.99Å; F176-V180 PolarHBondContact O-N 2.96Å; A178-V180 VanDerWaalsContact C-N 3.29Å; A178-V180 PolarHBondContact O-N 3.43Å; V180-D182 PolarHBondContact O-N 3.15Å; V180-V183 PolarHBondContact O-N 3.44Å; V180-V183 VanDerWaalsContact O-N 3.11Å; V180-V184 HydrophobicContact CG1-CG2 4.39Å
181Q63.7Low62.5Low91 Ų9170.3 Ų70.343%0.42537%0.369SS..Hα-helixtrans-63-29.1-175.9-174.7163.47.700112.8G177 A178G177-Q181 PolarHBondContact O-N 3.31Å; A178-Q181 PolarHBondContact O-N 3.14Å
182D61.2Low63.4Low126 Ų12665.7 Ų65.767%0.67436%0.355SS*.THydrogen-bonded Turntrans-90.2-1179.9-62.8-23.6000113.5V180V180-D182 PolarHBondContact O-N 3.15Å
183V63.6Low64.4Low11 Ų1162.4 Ų62.47%0.06735%0.348CS..THydrogen-bonded Turntrans-106.6-22.7-174.1170.40000114H44 L47 L48 T92 V179 V180H44-V183 HydrophobicContact CB-CG2 3.66Å; L47-V183 HydrophobicContact CD2-CG1 4.04Å; L47-V183 HydrophobicContact CD2-CG2 4.45Å; L48-V183 HydrophobicContact CD1-CG1 4.07Å; L48-V183 HydrophobicContact CD2-CG1 3.54Å; L48-V183 HydrophobicContact CG-CG1 3.64Å; T92-V183 HydrophobicContact CG2-CG1 3.86Å; V179-V183 WeakPolarHBondContact O-CG2 3.43Å; V180-V183 PolarHBondContact O-N 3.44Å; V180-V183 VanDerWaalsContact O-N 3.11Å
184V67.4Low65.1Low16 Ų1660.4 Ų60.410%0.09734%0.341CS..  trans-80.3128.5-175.1176.70000111.6T92 P160 Y161 V180 L186T92-V184 HydrophobicContact CG2-CG2 4.37Å; P160-V184 HydrophobicContact CB-CB 4.19Å; P160-V184 HydrophobicContact CB-CG1 4.11Å; P160-V184 HydrophobicContact CB-CG2 3.98Å; P160-V184 HydrophobicContact CG-CG2 3.94Å; Y161-V184 HydrophobicContact CE1-CG1 3.83Å; Y161-V184 WeakPolarHBondContact OH-CG1 3.41Å; V180-V184 HydrophobicContact CG1-CG2 4.39Å; V184-L186 HydrophobicContact CG1-CD2 4.38Å; V184-L186 PolarHBondContact O-N 3.26Å
185C64.4Low65.9Low68 Ų6857.5 Ų57.546%0.45932%0.323SS..  trans-88.290179.8-63.30000111.2D90 D187 A188 R195D90-C185 HydrophobicContact CB-CB 4.36Å; D90-C185 PolarHBondContact OD2-N 3.2Å; D90-C185 VanDerWaalsContact OD2-N 3.12Å; C185-D187 VanDerWaalsContact C-N 3.26Å; C185-D187 PolarHBondContact O-N 3Å; C185-A188 HydrophobicContact CB-CB 4.06Å; C185-A188 PolarHBondContact O-N 2.98Å; C185-R195 PolarHBondContact O-NH2 2.91Å
186L62.1Low67.2Low83 Ų8349.2 Ų49.244%0.43528%0.284SS..THydrogen-bonded Turntrans-60-30.5179.9-64.5176.1000114Y161 V184Y161-L186 HydrophobicContact CD1-CD2 3.66Å; Y161-L186 HydrophobicContact CE1-CD2 3.88Å; V184-L186 HydrophobicContact CG1-CD2 4.38Å; V184-L186 PolarHBondContact O-N 3.26Å
187D58.5Low68.3Low168 Ų16845.9 Ų45.990%0.89827%0.269SS*.THydrogen-bonded Turntrans-86.7-3.7-176.1-57-48.9000114.3C185C185-D187 VanDerWaalsContact C-N 3.26Å; C185-D187 PolarHBondContact O-N 3Å
188A63.8Low69.3Low24 Ų2446.1 Ų46.120%0.19827%0.271CS..SBendtrans-86.9138.8-17800000111.8D90 C185 P190 R195D90-A188 HydrophobicContact CB-CB 4.36Å; C185-A188 HydrophobicContact CB-CB 4.06Å; C185-A188 PolarHBondContact O-N 2.98Å; A188-P190 CarbonylContact O-C 3.6Å; A188-R195 PolarHBondContact O-NH2 3.1Å
189A57.4Low70.5Confident80 Ų8044 Ų4466%0.66125%0.254SS*.SBendtrans-64.5142.7176.300000112.3
190P64.4Low71.5Confident18 Ų1843 Ų4312%0.11725%0.247CC..SBendcis-74.8156.6-3.331.3-34.7000113P85 A188 R194 R195P85-P190 HydrophobicContact CG-CB 4.26Å; P85-P190 HydrophobicContact CG-CG 4.22Å; A188-P190 CarbonylContact O-C 3.6Å; P190-R194 HydrophobicContact CB-CB 4.45Å; P190-R194 HydrophobicContact CB-CG 4.48Å; P190-R195 HydrophobicContact CG-CG 3.98Å; P190-R195 WeakPolarHBondContact O-CG 3.49Å; P190-R195 PolarHBondContact O-NE 3.33Å
191D73.8Confident72.6Confident68 Ų6846.3 Ų46.336%0.36426%0.26SS..PPolyproline II helixtrans-52.9147.2-177.8176.363.3000113.7T193 R194 R195 V247D191-T193 PolarHBondContact O-N 2.99Å; D191-T193 VanDerWaalsContact O-N 3.11Å; D191-T193 WeakPolarHBondContact OD2-CA 3.12Å; D191-T193 WeakPolarHBondContact OD2-CB 3.16Å; D191-T193 PolarHBondContact OD2-N 3.34Å; D191-T193 PolarHBondContact OD2-OG1 3.16Å; D191-R194 WeakPolarHBondContact O-CA 3.47Å; D191-R194 WeakPolarHBondContact O-CB 3.41Å; D191-R194 PolarHBondContact O-N 3.43Å; D191-R195 WeakPolarHBondContact O-CG 3.49Å; D191-R195 PolarHBondContact O-N 3.22Å; D191-V247 HydrophobicContact CB-CG1 3.87Å; D191-V247 HydrophobicContact CB-CG2 4.31Å; D191-V247 WeakPolarHBondContact OD2-CG1 3.18Å
192A74.7Confident73.6Confident20 Ų2042 Ų4217%0.16524%0.24CC..Hα-helixtrans-48.9-38.2178.300000113.7Y161 L196Y161-A192 HydrophobicContact CD1-CB 3.71Å; Y161-A192 HydrophobicContact CE1-CB 4.39Å; A192-L196 WeakPolarHBondContact O-CB 3.36Å; A192-L196 PolarHBondContact O-N 3.05Å
193T77.8Confident74.9Confident54 Ų5436.1 Ų36.133%0.33121%0.208SC..Hα-helixtrans-70.3-38.8178.5-33.30000111.6D191 Y197 L231 L248D191-T193 PolarHBondContact O-N 2.99Å; D191-T193 VanDerWaalsContact O-N 3.11Å; D191-T193 WeakPolarHBondContact OD2-CA 3.12Å; D191-T193 WeakPolarHBondContact OD2-CB 3.16Å; D191-T193 PolarHBondContact OD2-N 3.34Å; D191-T193 PolarHBondContact OD2-OG1 3.16Å; T193-Y197 WeakPolarHBondContact O-CB 3.49Å; T193-Y197 PolarHBondContact O-N 3.43Å; T193-L231 HydrophobicContact CG2-CD2 4.14Å; T193-L248 HydrophobicContact CG2-CD1 3.64Å; T193-L248 HydrophobicContact CG2-CG 4.29Å
194R80.8Confident76Confident58 Ų5837.2 Ų37.222%0.21921%0.214CC..Hα-helixtrans-69.6-38.5176.1-166.574.3-174174.711.5111.4P190 D191 T198 V247 E252P190-R194 HydrophobicContact CB-CB 4.45Å; P190-R194 HydrophobicContact CB-CG 4.48Å; D191-R194 WeakPolarHBondContact O-CA 3.47Å; D191-R194 WeakPolarHBondContact O-CB 3.41Å; D191-R194 PolarHBondContact O-N 3.43Å; R194-T198 VanDerWaalsContact O-CB 3.32Å; R194-T198 WeakPolarHBondContact O-CB 3.37Å; R194-T198 PolarHBondContact O-N 3.03Å; R194-T198 PolarHBondContact O-OG1 2.82Å; R194-V247 HydrophobicContact CB-CG1 4Å; R194-E252 IonicContact CZ-OE1 2.63Å; R194-E252 IonicContact NH1-OE1 3.79Å; R194-E252 PolarHBondContact NH1-OE1 3.03Å; R194-E252 IonicContact NH1-OE2 3.41Å; R194-E252 PolarHBondContact NH1-OE2 2.96Å; R194-E252 IonicContact NH2-OE1 2.95Å; R194-E252 PolarHBondContact NH2-OE1 3.27Å
195R80.6Confident76.9Confident0 Ų039.5 Ų39.50%023%0.226CC..Hα-helixtrans-59.4-51.3172.4-67.9-176.4-169.8-164.33.6111.1D90 W93 Y161 C185 A188 P190 D191 Y197 T198 S199D90-R195 IonicContact OD2-CZ 3.42Å; D90-R195 IonicContact OD2-NH1 3.4Å; D90-R195 PolarHBondContact OD2-NH1 2.99Å; D90-R195 IonicContact OD2-NH2 3.38Å; W93-R195 HydrophobicContact CD2-CB 4.42Å; W93-R195 HydrophobicContact CD2-CG 3.8Å; W93-R195 HydrophobicContact CE3-CB 3.82Å; W93-R195 HydrophobicContact CE3-CG 3.68Å; W93-R195 HydrophobicContact CH2-CB 3.87Å; W93-R195 HydrophobicContact CH2-CG 4.11Å; W93-R195 HydrophobicContact CZ2-CB 4.44Å; W93-R195 HydrophobicContact CZ2-CG 4.21Å; W93-R195 HydrophobicContact CZ3-CB 3.53Å; W93-R195 HydrophobicContact CZ3-CG 3.85Å; Y161-R195 HydrophobicContact CD2-CB 4.48Å; Y161-R195 HydrophobicContact CE1-CB 4.41Å; Y161-R195 HydrophobicContact CE2-CB 4.22Å; Y161-R195 WeakPolarHBondContact OH-CD 3.4Å; Y161-R195 PolarHBondContact OH-NH1 2.72Å; C185-R195 PolarHBondContact O-NH2 2.91Å; A188-R195 PolarHBondContact O-NH2 3.1Å; P190-R195 HydrophobicContact CG-CG 3.98Å; P190-R195 WeakPolarHBondContact O-CG 3.49Å; P190-R195 PolarHBondContact O-NE 3.33Å; D191-R195 WeakPolarHBondContact O-CG 3.49Å; D191-R195 PolarHBondContact O-N 3.22Å; R195-Y197 PolarHBondContact O-N 3.07Å; R195-T198 WeakPolarHBondContact O-CB 3.48Å; R195-T198 PolarHBondContact O-N 2.94Å; R195-S199 PolarHBondContact O-N 3.41Å; R195-S199 PolarHBondContact O-OG 3.48Å
196L83.3Confident78Confident0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-58.6-46.9178-178.163.3000112.2I158 L162 A192 T198 S199 C200 Q230 L231I158-L196 HydrophobicContact CB-CD1 4.27Å; I158-L196 HydrophobicContact CG1-CD1 4.33Å; I158-L196 HydrophobicContact CG2-CD1 3.93Å; L162-L196 HydrophobicContact CD2-CD1 4.28Å; L162-L196 HydrophobicContact CD2-CD2 4.33Å; A192-L196 WeakPolarHBondContact O-CB 3.36Å; A192-L196 PolarHBondContact O-N 3.05Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.39Å; L196-S199 PolarHBondContact O-N 2.92Å; L196-C200 WeakPolarHBondContact O-CB 3.48Å; L196-C200 PolarHBondContact O-N 3.29Å; L196-C200 PolarHBondContact O-SG 2.88Å; L196-C200 VanDerWaalsContact O-SG 3.34Å; L196-Q230 HydrophobicContact CD2-CG 4.44Å; L196-L231 HydrophobicContact CB-CD2 4.44Å; L196-L231 HydrophobicContact CD2-CD2 4.18Å; L196-L231 HydrophobicContact CD2-CG 4.14Å; L196-L231 HydrophobicContact CG-CD1 4.19Å; L196-L231 HydrophobicContact CG-CD2 4.25Å; L196-L231 HydrophobicContact CG-CG 4.24Å
197Y83.8Confident79.1Confident12 Ų1232.9 Ų32.95%0.04719%0.187CC..Hα-helixtrans-57.7-45.6175.1176.9-103.6000112.1T193 R195 C200 R201 L231 L248 E252T193-Y197 WeakPolarHBondContact O-CB 3.49Å; T193-Y197 PolarHBondContact O-N 3.43Å; R195-Y197 PolarHBondContact O-N 3.07Å; Y197-C200 PolarHBondContact O-N 3.48Å; Y197-R201 VanDerWaalsContact O-CB 3.22Å; Y197-R201 WeakPolarHBondContact O-CB 3.3Å; Y197-R201 PolarHBondContact O-N 3.15Å; Y197-R201 WeakPolarHBondContact OH-CD 3.36Å; Y197-R201 PolarHBondContact OH-NH1 3.4Å; Y197-L231 HydrophobicContact CD2-CD1 4.38Å; Y197-L248 HydrophobicContact CD1-CD2 4.15Å; Y197-L248 HydrophobicContact CD2-CD2 4.22Å; Y197-L248 HydrophobicContact CG-CD2 3.82Å; Y197-E252 HydrophobicContact CE1-CG 4.26Å; Y197-E252 HydrophobicContact CE2-CB 3.97Å; Y197-E252 HydrophobicContact CE2-CG 4.39Å
198T83.9Confident80.4Confident4 Ų431.8 Ų31.83%0.02518%0.177CC..Hα-helixtrans-62.2-49.3179.4-59.20000111.5W84 W93 R194 R195 L196 C200 R201 A202W84-T198 HydrophobicContact CB-CG2 3.83Å; W84-T198 HydrophobicContact CD2-CG2 3.31Å; W84-T198 HydrophobicContact CE3-CG2 3.62Å; W84-T198 HydrophobicContact CG-CG2 3.45Å; W84-T198 VanDerWaalsContact CG-CG2 3.45Å; W84-T198 HydrophobicContact CZ2-CG2 4.35Å; W84-T198 HydrophobicContact CZ3-CG2 4.24Å; W93-T198 HydrophobicContact CH2-CG2 3.99Å; W93-T198 HydrophobicContact CZ2-CG2 4.07Å; R194-T198 VanDerWaalsContact O-CB 3.32Å; R194-T198 WeakPolarHBondContact O-CB 3.37Å; R194-T198 PolarHBondContact O-N 3.03Å; R194-T198 PolarHBondContact O-OG1 2.82Å; R195-T198 WeakPolarHBondContact O-CB 3.48Å; R195-T198 PolarHBondContact O-N 2.94Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.39Å; T198-C200 PolarHBondContact O-N 3.5Å; T198-R201 PolarHBondContact O-N 3.03Å; T198-A202 VanDerWaalsContact O-CB 3.28Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 2.95Å
199S86.2Confident81.4Confident0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-59.3-47.3177.2-60.20000112.3G157 R195 L196 L203G157-S199 WeakPolarHBondContact O-CB 3.49Å; G157-S199 PolarHBondContact O-OG 3.34Å; R195-S199 PolarHBondContact O-N 3.41Å; R195-S199 PolarHBondContact O-OG 3.48Å; L196-S199 PolarHBondContact O-N 2.92Å; S199-L203 WeakPolarHBondContact O-CB 3.16Å; S199-L203 WeakPolarHBondContact O-CG 3.34Å; S199-L203 PolarHBondContact O-N 3.42Å
200C86.4Confident82.6Confident1 Ų132.4 Ų32.41%0.00717%0.169CC..Hα-helixtrans-63.2-45.9177.9-69.40000111.5L196 Y197 T198 L203 L204 L228 L231L196-C200 WeakPolarHBondContact O-CB 3.48Å; L196-C200 PolarHBondContact O-N 3.29Å; L196-C200 PolarHBondContact O-SG 2.88Å; L196-C200 VanDerWaalsContact O-SG 3.34Å; Y197-C200 PolarHBondContact O-N 3.48Å; T198-C200 PolarHBondContact O-N 3.5Å; C200-L203 PolarHBondContact O-N 2.89Å; C200-L204 WeakPolarHBondContact O-CB 3.2Å; C200-L204 VanDerWaalsContact O-CG 3.24Å; C200-L204 WeakPolarHBondContact O-CG 3.41Å; C200-L204 PolarHBondContact O-N 2.94Å; C200-L228 HydrophobicContact CB-CD2 4.18Å; C200-L231 HydrophobicContact CB-CD1 4.24Å
201R87.2Confident83.4Confident70 Ų7033 Ų3326%0.26417%0.174SC..Hα-helixtrans-64-41.5179.6-171.8168.680.1160.514.2112.2E83 Y197 T198 N205E83-R201 IonicContact OE2-CZ 3.86Å; E83-R201 IonicContact OE2-NH1 2.76Å; E83-R201 PolarHBondContact OE2-NH1 3.33Å; E83-R201 IonicContact OE2-NH2 3.18Å; E83-R201 PolarHBondContact OE2-NH2 3.17Å; Y197-R201 VanDerWaalsContact O-CB 3.22Å; Y197-R201 WeakPolarHBondContact O-CB 3.3Å; Y197-R201 PolarHBondContact O-N 3.15Å; Y197-R201 WeakPolarHBondContact OH-CD 3.36Å; Y197-R201 PolarHBondContact OH-NH1 3.4Å; T198-R201 PolarHBondContact O-N 3.03Å; R201-N205 WeakPolarHBondContact O-CB 3.46Å; R201-N205 PolarHBondContact O-N 2.87Å
202A85.6Confident83.9Confident2 Ų229.8 Ų29.82%0.01716%0.157CC..Hα-helixtrans-66.6-45.2177.100000111.8W84 L100 T198 N205 V206W84-A202 HydrophobicContact CH2-CB 3.84Å; W84-A202 HydrophobicContact CZ2-CB 4.37Å; L100-A202 HydrophobicContact CB-CB 4.4Å; L100-A202 HydrophobicContact CD1-CB 4.09Å; L100-A202 HydrophobicContact CD2-CB 3.81Å; L100-A202 HydrophobicContact CG-CB 4.33Å; T198-A202 VanDerWaalsContact O-CB 3.28Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 2.95Å; A202-N205 WeakPolarHBondContact O-CB 3.23Å; A202-N205 PolarHBondContact O-N 3.04Å; A202-V206 WeakPolarHBondContact O-CG2 3.4Å; A202-V206 PolarHBondContact O-N 2.78Å
203L87.6Confident84.3Confident1 Ų129 Ų291%0.00515%0.151CC..Hα-helixtrans-65.4-39.4176.9-75.2168.3000112.8L100 L150 V153 V154 I158 S199 C200 N205 V206 A207 I216 I224L100-L203 HydrophobicContact CD2-CD2 4.25Å; L100-L203 HydrophobicContact CD2-CG 4.08Å; L150-L203 HydrophobicContact CD2-CD2 3.69Å; V153-L203 HydrophobicContact CG1-CD1 4.08Å; V153-L203 HydrophobicContact CG1-CD2 4.14Å; V153-L203 HydrophobicContact CG1-CG 4.3Å; V154-L203 HydrophobicContact CG2-CD1 4.19Å; I158-L203 HydrophobicContact CD1-CD1 3.65Å; S199-L203 WeakPolarHBondContact O-CB 3.16Å; S199-L203 WeakPolarHBondContact O-CG 3.34Å; S199-L203 PolarHBondContact O-N 3.42Å; C200-L203 PolarHBondContact O-N 2.89Å; L203-N205 VanDerWaalsContact C-N 3.32Å; L203-N205 PolarHBondContact O-N 3.12Å; L203-V206 PolarHBondContact O-N 2.92Å; L203-A207 WeakPolarHBondContact O-CB 3.4Å; L203-A207 PolarHBondContact O-N 3.01Å; L203-I216 HydrophobicContact CD2-CD1 4.42Å; L203-I224 HydrophobicContact CB-CD1 4.22Å; L203-I224 HydrophobicContact CD1-CD1 4.31Å; L203-I224 HydrophobicContact CD1-CG1 4.46Å
204L86.5Confident84.6Confident34 Ų3429.3 Ų29.318%0.17816%0.155CC..Hα-helixtrans-62.7-38.7172.5-73.9168.3000112C200 A207 Q208 I224 L228 A259 M263C200-L204 WeakPolarHBondContact O-CB 3.2Å; C200-L204 VanDerWaalsContact O-CG 3.24Å; C200-L204 WeakPolarHBondContact O-CG 3.41Å; C200-L204 PolarHBondContact O-N 2.94Å; L204-A207 PolarHBondContact O-N 3.3Å; L204-Q208 PolarHBondContact O-N 3.01Å; L204-I224 HydrophobicContact CD2-CG2 4.4Å; L204-I224 HydrophobicContact CG-CG2 4.49Å; L204-L228 HydrophobicContact CD1-CD1 4.12Å; L204-L228 HydrophobicContact CD1-CD2 4.08Å; L204-A259 HydrophobicContact CD1-CB 3.81Å; L204-M263 HydrophobicContact CD2-CB 4.49Å; L204-M263 HydrophobicContact CD2-CG 4.46Å; L204-M263 HydrophobicContact CD2-SD 4.09Å
205N86.5Confident84.7Confident65 Ų6527.1 Ų27.135%0.34815%0.148SC..Hα-helixtrans-62.7-46.8174.2-173.4-12.8000110.7L104 K107 R201 A202 L203 A207 Q208L104-N205 HydrophobicContact CD2-CB 4.04Å; K107-N205 VanDerWaalsContact CD-O 3.26Å; K107-N205 WeakPolarHBondContact CD-O 3.4Å; K107-N205 WeakPolarHBondContact CE-O 3.4Å; K107-N205 PolarHBondContact NZ-O 3.46Å; K107-N205 PolarHBondContact NZ-OD1 3.42Å; R201-N205 WeakPolarHBondContact O-CB 3.46Å; R201-N205 PolarHBondContact O-N 2.87Å; A202-N205 WeakPolarHBondContact O-CB 3.23Å; A202-N205 PolarHBondContact O-N 3.04Å; L203-N205 VanDerWaalsContact C-N 3.32Å; L203-N205 PolarHBondContact O-N 3.12Å; N205-A207 VanDerWaalsContact C-N 3.31Å; N205-A207 PolarHBondContact O-N 3.29Å; N205-Q208 WeakPolarHBondContact O-CB 3.43Å; N205-Q208 PolarHBondContact O-N 2.79Å
206V86.4Confident84.9Confident2 Ų227.2 Ų27.21%0.01215%0.148CC..Hα-helixtrans-58.6-41.3173.5177.40000111.6L103 L104 A202 L203 Q208 H209 L212 I216L103-V206 HydrophobicContact CB-CG2 3.97Å; L104-V206 HydrophobicContact CD2-CG2 3.69Å; L104-V206 HydrophobicContact CG-CG2 4.05Å; A202-V206 WeakPolarHBondContact O-CG2 3.4Å; A202-V206 PolarHBondContact O-N 2.78Å; L203-V206 PolarHBondContact O-N 2.92Å; V206-Q208 PolarHBondContact O-N 3.12Å; V206-H209 PolarHBondContact O-N 2.97Å; V206-L212 HydrophobicContact CG1-CB 4.04Å; V206-L212 HydrophobicContact CG1-CD1 3.85Å; V206-I216 HydrophobicContact CB-CD1 4.07Å; V206-I216 HydrophobicContact CG1-CD1 3.77Å
207A85.4Confident84.9Confident9 Ų928.5 Ų28.57%0.07415%0.154CC..Hα-helixtrans-67.4-12.1-17800000115.1L203 L204 N205 H209 I216 F217L203-A207 WeakPolarHBondContact O-CB 3.4Å; L203-A207 PolarHBondContact O-N 3.01Å; L204-A207 PolarHBondContact O-N 3.3Å; N205-A207 VanDerWaalsContact C-N 3.31Å; N205-A207 PolarHBondContact O-N 3.29Å; A207-H209 PolarHBondContact O-N 3.12Å; A207-I216 HydrophobicContact CB-CD1 3.93Å; A207-F217 HydrophobicContact CB-CE1 4.27Å; A207-F217 HydrophobicContact CB-CE2 3.99Å; A207-F217 HydrophobicContact CB-CZ 3.64Å
208Q85.9Confident84.6Confident146 Ų14631.8 Ų31.868%0.68218%0.178SC*.THydrogen-bonded Turntrans-62.7-20.7172.3-65.8177.4-10.400113.1L204 N205 V206L204-Q208 PolarHBondContact O-N 3.01Å; N205-Q208 WeakPolarHBondContact O-CB 3.43Å; N205-Q208 PolarHBondContact O-N 2.79Å; V206-Q208 PolarHBondContact O-N 3.12Å
209H85.3Confident84.3Confident6 Ų636.9 Ų36.93%0.02820%0.201CC..SBendtrans-85.2123.7171-171-49.8000109.9K107 M110 D136 V206 A207 S211 L212 G213K107-H209 HydrophobicContact CG-CB 4.31Å; M110-H209 WeakPolarHBondContact CB-NE2 3.33Å; D136-H209 IonicContact OD2-CE1 3.75Å; D136-H209 PolarHBondContact OD2-CE1 2.83Å; D136-H209 IonicContact OD2-NE2 3.83Å; V206-H209 PolarHBondContact O-N 2.97Å; A207-H209 PolarHBondContact O-N 3.12Å; H209-S211 PolarHBondContact ND1-N 3Å; H209-S211 PolarHBondContact O-N 3.07Å; H209-L212 HydrophobicContact CB-CB 4.39Å; H209-L212 HydrophobicContact CB-CD1 4.38Å; H209-L212 HydrophobicContact CB-CG 4.49Å; H209-L212 PolarHBondContact O-N 3.34Å; H209-L212 VanDerWaalsContact O-N 3.14Å; H209-G213 PolarHBondContact O-N 3.35Å
210T82.1Confident84.2Confident110 Ų11037.9 Ų37.968%0.67521%0.205SC*.Hα-helixtrans-46.5-56.3-176.7500000114L212 G213 S214T210-L212 PolarHBondContact O-N 3Å; T210-G213 PolarHBondContact O-N 3.43Å; T210-S214 PolarHBondContact O-N 3.27Å
211S82.1Confident84Confident31 Ų3138 Ų3822%0.21721%0.206CC..Hα-helixtrans-55.4-50.2178.5-52.40000112.9D136 H209 S214D136-S211 PolarHBondContact O-OG 3.18Å; H209-S211 PolarHBondContact ND1-N 3Å; H209-S211 PolarHBondContact O-N 3.07Å; S211-S214 PolarHBondContact O-OG 2.94Å
212L83.9Confident83.8Confident1 Ų135 Ų351%0.00520%0.197CC..Hα-helixtrans-73.1-38.8-178.2-61.5177.1000112.3L106 K107 M110 L138 V146 V206 H209 T210 S214 L215 I216L106-L212 HydrophobicContact CD2-CD1 4.44Å; L106-L212 HydrophobicContact CD2-CD2 3.98Å; K107-L212 HydrophobicContact CB-CD1 4.15Å; M110-L212 HydrophobicContact CE-CD2 4.44Å; M110-L212 HydrophobicContact CE-CG 4.34Å; M110-L212 HydrophobicContact SD-CD1 3.89Å; M110-L212 HydrophobicContact SD-CD2 4.02Å; M110-L212 HydrophobicContact SD-CG 3.99Å; L138-L212 HydrophobicContact CD1-CD2 3.91Å; V146-L212 HydrophobicContact CG1-CD2 4.21Å; V206-L212 HydrophobicContact CG1-CB 4.04Å; V206-L212 HydrophobicContact CG1-CD1 3.85Å; H209-L212 HydrophobicContact CB-CB 4.39Å; H209-L212 HydrophobicContact CB-CD1 4.38Å; H209-L212 HydrophobicContact CB-CG 4.49Å; H209-L212 PolarHBondContact O-N 3.34Å; H209-L212 VanDerWaalsContact O-N 3.14Å; T210-L212 PolarHBondContact O-N 3Å; L212-S214 VanDerWaalsContact C-N 3.29Å; L212-S214 PolarHBondContact O-N 2.67Å; L212-L215 PolarHBondContact O-N 2.68Å; L212-L215 VanDerWaalsContact O-N 3.13Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 2.71Å
213G83.7Confident83.7Confident3 Ų335.2 Ų35.23%0.03120%0.198CC..Hα-helixtrans-59.2-38.6175.100000112.4H209 T210 L215 I216 F217H209-G213 PolarHBondContact O-N 3.35Å; T210-G213 PolarHBondContact O-N 3.43Å; G213-L215 VanDerWaalsContact C-N 3.32Å; G213-L215 PolarHBondContact O-N 3.01Å; G213-I216 PolarHBondContact O-N 2.89Å; G213-F217 WeakPolarHBondContact O-CB 3.18Å; G213-F217 WeakPolarHBondContact O-CD2 3.46Å; G213-F217 WeakPolarHBondContact O-CG 3.35Å; G213-F217 PolarHBondContact O-N 2.74Å
214S82.8Confident83.6Confident60 Ų6035.2 Ų35.242%0.4220%0.198SC..Hα-helixtrans-59.1-41.4173.979.30000112.5T210 S211 L212 C218T210-S214 PolarHBondContact O-N 3.27Å; S211-S214 PolarHBondContact O-OG 2.94Å; L212-S214 VanDerWaalsContact C-N 3.29Å; L212-S214 PolarHBondContact O-N 2.67Å; S214-C218 WeakPolarHBondContact O-CB 3.46Å; S214-C218 PolarHBondContact O-N 3.36Å; S214-C218 PolarHBondContact O-SG 3.47Å
215L83.2Confident83.5Confident13 Ų1333.7 Ų33.77%0.06819%0.19CC..Hα-helixtrans-69.8-39179-54.3-179.9000112L138 Q143 V146 L150 L212 G213L138-L215 HydrophobicContact CD1-CD1 4.32Å; Q143-L215 HydrophobicContact CG-CD1 4Å; Q143-L215 HydrophobicContact CG-CD2 3.56Å; Q143-L215 HydrophobicContact CG-CG 4.45Å; V146-L215 HydrophobicContact CB-CD1 4.3Å; V146-L215 HydrophobicContact CG1-CD1 3.93Å; L150-L215 HydrophobicContact CD1-CB 4.02Å; L212-L215 PolarHBondContact O-N 2.68Å; L212-L215 VanDerWaalsContact O-N 3.13Å; G213-L215 VanDerWaalsContact C-N 3.32Å; G213-L215 PolarHBondContact O-N 3.01Å
216I84.4Confident83.4Confident1 Ų130.6 Ų30.61%0.00517%0.173CC..Hα-helixtrans-66.9-50.9178.1-67.6168.5000110.2L150 L203 V206 A207 L212 G213 H220 F221 I224L150-I216 HydrophobicContact CD1-CG1 3.67Å; L150-I216 HydrophobicContact CD2-CD1 4.21Å; L150-I216 HydrophobicContact CD2-CG1 3.79Å; L150-I216 HydrophobicContact CG-CG1 4.39Å; L203-I216 HydrophobicContact CD2-CD1 4.42Å; V206-I216 HydrophobicContact CB-CD1 4.07Å; V206-I216 HydrophobicContact CG1-CD1 3.77Å; A207-I216 HydrophobicContact CB-CD1 3.93Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 2.71Å; G213-I216 PolarHBondContact O-N 2.89Å; I216-H220 WeakPolarHBondContact O-CA 3.44Å; I216-H220 WeakPolarHBondContact O-CB 3.28Å; I216-H220 PolarHBondContact O-N 2.91Å; I216-F221 PolarHBondContact O-N 3.03Å; I216-I224 HydrophobicContact CG2-CD1 3.41Å; I216-I224 VanDerWaalsContact CG2-CD1 3.41Å
217F83.6Confident83.3Confident27 Ų2730.5 Ų30.512%0.11817%0.173CC..Hα-helixtrans-75.7-31.9-174.1-60.9-44000113.6A207 G213 H219 F221 M263 V267A207-F217 HydrophobicContact CB-CE1 4.27Å; A207-F217 HydrophobicContact CB-CE2 3.99Å; A207-F217 HydrophobicContact CB-CZ 3.64Å; G213-F217 WeakPolarHBondContact O-CB 3.18Å; G213-F217 WeakPolarHBondContact O-CD2 3.46Å; G213-F217 WeakPolarHBondContact O-CG 3.35Å; G213-F217 PolarHBondContact O-N 2.74Å; F217-H219 VanDerWaalsContact C-N 3.27Å; F217-H219 PolarHBondContact O-N 3.02Å; F217-F221 HydrophobicContact CD1-CD2 4.02Å; F217-F221 WeakPolarHBondContact O-CB 3.48Å; F217-M263 HydrophobicContact CD1-CG 4.25Å; F217-M263 HydrophobicContact CD1-SD 4.38Å; F217-M263 HydrophobicContact CE1-CG 3.56Å; F217-M263 HydrophobicContact CE1-SD 3.78Å; F217-M263 HydrophobicContact CZ-CG 4.02Å; F217-V267 HydrophobicContact CB-CG2 3.98Å; F217-V267 HydrophobicContact CD1-CG2 4.15Å; F217-V267 HydrophobicContact CD2-CG2 3.82Å; F217-V267 HydrophobicContact CE2-CG2 4.32Å; F217-V267 HydrophobicContact CG-CG2 3.72Å
218C78.4Confident83.2Confident82 Ų8230.2 Ų30.255%0.55417%0.17SC*.Hα-helixtrans-65.5-24.5177.3-75.60000114.5S214S214-C218 WeakPolarHBondContact O-CB 3.46Å; S214-C218 PolarHBondContact O-N 3.36Å; S214-C218 PolarHBondContact O-SG 3.47Å
219H78.4Confident83.2Confident111 Ų11123.3 Ų23.351%0.51414%0.138SC..Hα-helixtrans-126.5-23.6-173.4-66.2-61.6000115.6Q147 F217Q147-H219 PolarHBondContact NE2-CD2 3.38Å; Q147-H219 VanDerWaalsContact NE2-CD2 3.3Å; Q147-H219 PolarHBondContact NE2-NE2 3.18Å; Q147-H219 VanDerWaalsContact NE2-NE2 3.11Å; F217-H219 VanDerWaalsContact C-N 3.27Å; F217-H219 PolarHBondContact O-N 3.02Å
220H82.3Confident83.2Confident20 Ų2024.1 Ų24.19%0.09314%0.142CC..Hα-helixtrans-127.45.6-171-57.8-57.4000114V154 I216 G222 D223 I224V154-H220 HydrophobicContact CG2-CB 3.91Å; I216-H220 WeakPolarHBondContact O-CA 3.44Å; I216-H220 WeakPolarHBondContact O-CB 3.28Å; I216-H220 PolarHBondContact O-N 2.91Å; H220-G222 VanDerWaalsContact C-N 3.35Å; H220-G222 PolarHBondContact O-N 2.71Å; H220-D223 PolarHBondContact O-N 2.94Å; H220-D223 VanDerWaalsContact O-N 3.16Å; H220-I224 PolarHBondContact O-N 3.44Å; H220-I224 VanDerWaalsContact O-N 3.13Å
221F83.9Confident83.3Confident3 Ų319.2 Ų19.21%0.01311%0.111CC..Hα-helixtrans-53.1-47.8177.2174.5-87.6000112.9I216 F217 D223 I224 A225 M263 L264 V267 A272 E275I216-F221 PolarHBondContact O-N 3.03Å; F217-F221 HydrophobicContact CD1-CD2 4.02Å; F217-F221 WeakPolarHBondContact O-CB 3.48Å; F221-D223 PolarHBondContact O-N 2.72Å; F221-I224 PolarHBondContact O-N 3.02Å; F221-A225 HydrophobicContact CE1-CB 4.43Å; F221-A225 VanDerWaalsContact O-CB 3.25Å; F221-A225 WeakPolarHBondContact O-CB 3.4Å; F221-A225 PolarHBondContact O-N 2.92Å; F221-M263 HydrophobicContact CD2-CE 3.99Å; F221-M263 HydrophobicContact CD2-CG 4.12Å; F221-M263 HydrophobicContact CD2-SD 4.15Å; F221-M263 HydrophobicContact CE2-CE 3.73Å; F221-M263 HydrophobicContact CE2-CG 3.87Å; F221-M263 HydrophobicContact CE2-SD 4.25Å; F221-M263 HydrophobicContact CZ-CE 4.15Å; F221-L264 HydrophobicContact CZ-CD2 3.94Å; F221-V267 HydrophobicContact CD2-CB 4.24Å; F221-V267 HydrophobicContact CD2-CG1 4.03Å; F221-V267 HydrophobicContact CD2-CG2 3.81Å; F221-V267 HydrophobicContact CE2-CB 3.84Å; F221-V267 HydrophobicContact CE2-CG1 3.92Å; F221-V267 HydrophobicContact CE2-CG2 3.73Å; F221-A272 HydrophobicContact CE1-CB 4.33Å; F221-A272 HydrophobicContact CZ-CB 3.94Å; F221-E275 HydrophobicContact CD1-CB 3.85Å; F221-E275 HydrophobicContact CD1-CG 3.92Å; F221-E275 HydrophobicContact CE1-CB 3.96Å; F221-E275 HydrophobicContact CE1-CG 4.45Å
222G81.5Confident83.2Confident8 Ų817.9 Ų17.98%0.08210%0.103CC..Hα-helixtrans-61.1-31.6-179.100000113.6H220 A226H220-G222 VanDerWaalsContact C-N 3.35Å; H220-G222 PolarHBondContact O-N 2.71Å; G222-A226 WeakPolarHBondContact O-CB 3.49Å; G222-A226 PolarHBondContact O-N 2.93Å
223D83.5Confident82.9Confident7 Ų721.4 Ų21.44%0.03712%0.118CC..Hα-helixtrans-76.9-42.5179.1-63.6-36.4000112.1V154 I158 R173 H220 F221 A226 G227V154-D223 HydrophobicContact CG1-CB 3.71Å; V154-D223 WeakPolarHBondContact CG1-OD2 3.2Å; I158-D223 HydrophobicContact CG2-CB 4.39Å; R173-D223 IonicContact CZ-OD1 3.58Å; R173-D223 IonicContact CZ-OD2 2.94Å; R173-D223 IonicContact NH1-OD1 2.74Å; R173-D223 PolarHBondContact NH1-OD1 2.92Å; R173-D223 IonicContact NH1-OD2 3.05Å; R173-D223 PolarHBondContact NH1-OD2 3.17Å; R173-D223 IonicContact NH2-OD1 2.64Å; R173-D223 PolarHBondContact NH2-OD1 3.3Å; R173-D223 IonicContact NH2-OD2 3.63Å; H220-D223 PolarHBondContact O-N 2.94Å; H220-D223 VanDerWaalsContact O-N 3.16Å; F221-D223 PolarHBondContact O-N 2.72Å; D223-A226 WeakPolarHBondContact O-CB 3.46Å; D223-A226 PolarHBondContact O-N 3.34Å; D223-G227 PolarHBondContact O-N 3.5Å
224I85Confident82.7Confident1 Ų123.3 Ų23.31%0.00513%0.131CC..Hα-helixtrans-66.8-40.9175-62.1169.1000109.7I158 L203 L204 I216 H220 F221 A226 G227 L228 M263I158-I224 HydrophobicContact CD1-CG1 3.88Å; L203-I224 HydrophobicContact CB-CD1 4.22Å; L203-I224 HydrophobicContact CD1-CD1 4.31Å; L203-I224 HydrophobicContact CD1-CG1 4.46Å; L204-I224 HydrophobicContact CD2-CG2 4.4Å; L204-I224 HydrophobicContact CG-CG2 4.49Å; I216-I224 HydrophobicContact CG2-CD1 3.41Å; I216-I224 VanDerWaalsContact CG2-CD1 3.41Å; H220-I224 PolarHBondContact O-N 3.44Å; H220-I224 VanDerWaalsContact O-N 3.13Å; F221-I224 PolarHBondContact O-N 3.02Å; I224-A226 PolarHBondContact O-N 3.1Å; I224-G227 PolarHBondContact O-N 3Å; I224-L228 HydrophobicContact CG2-CD1 3.89Å; I224-L228 HydrophobicContact CG2-CG 4.3Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.46Å; I224-L228 PolarHBondContact O-N 3.46Å; I224-M263 HydrophobicContact CB-SD 4.28Å; I224-M263 HydrophobicContact CG2-CE 4.41Å; I224-M263 HydrophobicContact CG2-SD 3.7Å
225A85.3Confident82Confident1 Ų124.1 Ų24.11%0.00814%0.135CC..Hα-helixtrans-61.3-41.8173.800000112.1F221 C229 L260 M263 L279F221-A225 HydrophobicContact CE1-CB 4.43Å; F221-A225 VanDerWaalsContact O-CB 3.25Å; F221-A225 WeakPolarHBondContact O-CB 3.4Å; F221-A225 PolarHBondContact O-N 2.92Å; A225-C229 VanDerWaalsContact O-CB 3.32Å; A225-C229 WeakPolarHBondContact O-CB 3.28Å; A225-C229 PolarHBondContact O-N 3.27Å; A225-C229 PolarHBondContact O-SG 2.89Å; A225-L260 HydrophobicContact CB-CD1 4.38Å; A225-M263 HydrophobicContact CB-CE 3.76Å; A225-L279 HydrophobicContact CB-CD1 4.01Å
226A84.4Confident80.9Confident0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-60.3-46.2174.100000111.9L162 V166 G222 D223 I224 C229 Q230 L279L162-A226 HydrophobicContact CD1-CB 3.96Å; L162-A226 HydrophobicContact CD2-CB 4.24Å; V166-A226 HydrophobicContact CG1-CB 4.11Å; G222-A226 WeakPolarHBondContact O-CB 3.49Å; G222-A226 PolarHBondContact O-N 2.93Å; D223-A226 WeakPolarHBondContact O-CB 3.46Å; D223-A226 PolarHBondContact O-N 3.34Å; I224-A226 PolarHBondContact O-N 3.1Å; A226-C229 PolarHBondContact O-N 2.82Å; A226-Q230 PolarHBondContact O-N 2.93Å; A226-L279 HydrophobicContact CB-CD2 3.74Å
227G84Confident79.3Confident0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-60.5-51.3176.500000112.5D223 I224 C229 Q230 L231D223-G227 PolarHBondContact O-N 3.5Å; I224-G227 PolarHBondContact O-N 3Å; G227-C229 PolarHBondContact O-N 2.96Å; G227-Q230 WeakPolarHBondContact O-CB 3.4Å; G227-Q230 PolarHBondContact O-N 3Å; G227-Q230 VanDerWaalsContact O-N 3.12Å; G227-L231 VanDerWaalsContact O-CG 3.24Å; G227-L231 WeakPolarHBondContact O-CG 3.34Å; G227-L231 PolarHBondContact O-N 3.43Å
228L84.7Confident77.1Confident4 Ų448.5 Ų48.52%0.02124%0.242CC..Hα-helixtrans-63.9-37178.7-66.7171.2000112.8C200 L204 I224 Q230 L231 G232 L260 M263C200-L228 HydrophobicContact CB-CD2 4.18Å; L204-L228 HydrophobicContact CD1-CD1 4.12Å; L204-L228 HydrophobicContact CD1-CD2 4.08Å; I224-L228 HydrophobicContact CG2-CD1 3.89Å; I224-L228 HydrophobicContact CG2-CG 4.3Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.46Å; I224-L228 PolarHBondContact O-N 3.46Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.94Å; L228-G232 PolarHBondContact O-N 3.25Å; L228-L260 HydrophobicContact CB-CB 4.13Å; L228-L260 HydrophobicContact CB-CD1 4.11Å; L228-L260 HydrophobicContact CD1-CB 4.33Å; L228-L260 HydrophobicContact CD1-CD1 4.38Å; L228-M263 HydrophobicContact CD1-CE 4.12Å; L228-M263 HydrophobicContact CD1-SD 4.2Å
229C84.5Confident75Confident0 Ų053.1 Ų53.10%025%0.252CS..Hα-helixtrans-60.2-43.1171.6-73.70000111.8A225 A226 G227 F233 L302 L305A225-C229 VanDerWaalsContact O-CB 3.32Å; A225-C229 WeakPolarHBondContact O-CB 3.28Å; A225-C229 PolarHBondContact O-N 3.27Å; A225-C229 PolarHBondContact O-SG 2.89Å; A226-C229 PolarHBondContact O-N 2.82Å; G227-C229 PolarHBondContact O-N 2.96Å; C229-F233 WeakPolarHBondContact O-CB 3.19Å; C229-F233 PolarHBondContact O-N 3.46Å; C229-F233 VanDerWaalsContact O-N 3.14Å; C229-L302 HydrophobicContact CB-CD1 3.8Å; C229-L305 HydrophobicContact CB-CD2 4.12Å
230Q85.7Confident73.2Confident23 Ų2356.4 Ų56.411%0.10727%0.273CS..Hα-helixtrans-66.2-45.6176.6-176.9170.5-57.600111.8Y161 L196 A226 G227 L228 C234Y161-Q230 PolarHBondContact O-NE2 2.95Å; L196-Q230 HydrophobicContact CD2-CG 4.44Å; A226-Q230 PolarHBondContact O-N 2.93Å; G227-Q230 WeakPolarHBondContact O-CB 3.4Å; G227-Q230 PolarHBondContact O-N 3Å; G227-Q230 VanDerWaalsContact O-N 3.12Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 3.09Å; Q230-C234 HydrophobicContact CG-CB 4.29Å; Q230-C234 WeakPolarHBondContact O-CB 3.29Å; Q230-C234 PolarHBondContact O-N 3.44Å
231L83.3Confident71.1Confident7 Ų761.4 Ų61.44%0.03730%0.3CS..Hα-helixtrans-66.8-40.2-178.8-67.1165.9000113T193 L196 Y197 C200 G227 L228 L248T193-L231 HydrophobicContact CG2-CD2 4.14Å; L196-L231 HydrophobicContact CB-CD2 4.44Å; L196-L231 HydrophobicContact CD2-CD2 4.18Å; L196-L231 HydrophobicContact CD2-CG 4.14Å; L196-L231 HydrophobicContact CG-CD1 4.19Å; L196-L231 HydrophobicContact CG-CD2 4.25Å; L196-L231 HydrophobicContact CG-CG 4.24Å; Y197-L231 HydrophobicContact CD2-CD1 4.38Å; C200-L231 HydrophobicContact CB-CD1 4.24Å; G227-L231 VanDerWaalsContact O-CG 3.24Å; G227-L231 WeakPolarHBondContact O-CG 3.34Å; G227-L231 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 2.94Å; L231-L248 HydrophobicContact CD2-CD1 3.65Å
232G80Confident68.7Low4 Ų466.4 Ų66.44%0.04133%0.33CS..Hα-helixtrans-88.1-25.4-174.400000115.9L228 R257L228-G232 PolarHBondContact O-N 3.25Å; G232-R257 WeakPolarHBondContact O-CD 3.38Å; G232-R257 PolarHBondContact O-NH1 3.13Å
233F79.1Confident66.8Low74 Ų7471 Ų7133%0.32537%0.367SS..Hα-helixtrans-138.20.3-166.7-59.5-87.5000116C229 P235 R257 L260 W301 L305C229-F233 WeakPolarHBondContact O-CB 3.19Å; C229-F233 PolarHBondContact O-N 3.46Å; C229-F233 VanDerWaalsContact O-N 3.14Å; F233-P235 WeakPolarHBondContact O-CD 3.35Å; F233-R257 HydrophobicContact CD2-CG 4.18Å; F233-R257 HydrophobicContact CE1-CG 4.09Å; F233-R257 HydrophobicContact CE2-CB 4.31Å; F233-R257 HydrophobicContact CE2-CG 3.61Å; F233-R257 HydrophobicContact CZ-CB 4.16Å; F233-R257 HydrophobicContact CZ-CG 3.57Å; F233-L260 HydrophobicContact CE2-CD2 3.94Å; F233-W301 HydrophobicContact CB-CE3 4.38Å; F233-W301 HydrophobicContact CB-CZ3 4.2Å; F233-L305 HydrophobicContact CB-CD2 3.79Å; F233-L305 HydrophobicContact CD1-CD1 3.89Å; F233-L305 HydrophobicContact CD1-CD2 4.38Å; F233-L305 HydrophobicContact CD2-CD1 4.07Å; F233-L305 HydrophobicContact CD2-CD2 3.5Å; F233-L305 VanDerWaalsContact CD2-CD2 3.5Å; F233-L305 HydrophobicContact CD2-CG 4.44Å; F233-L305 HydrophobicContact CE1-CD1 3.84Å; F233-L305 HydrophobicContact CE2-CD1 4.01Å; F233-L305 HydrophobicContact CE2-CD2 4.1Å; F233-L305 HydrophobicContact CG-CD1 3.99Å; F233-L305 HydrophobicContact CG-CD2 3.65Å; F233-L305 HydrophobicContact CG-CG 4.47Å; F233-L305 HydrophobicContact CZ-CD1 3.9Å
234C79.1Confident64.7Low44 Ų4475.2 Ų75.230%0.29740%0.403SS..PPolyproline II helixtrans-66.9126.7176.5178.30000111M163 Q230 T236 W301M163-C234 HydrophobicContact CE-CB 4.45Å; M163-C234 WeakPolarHBondContact CE-SG 3.43Å; Q230-C234 HydrophobicContact CG-CB 4.29Å; Q230-C234 WeakPolarHBondContact O-CB 3.29Å; Q230-C234 PolarHBondContact O-N 3.44Å; C234-T236 PolarHBondContact O-N 2.97Å; C234-W301 HydrophobicContact CB-CH2 4.37Å; C234-W301 HydrophobicContact CB-CZ2 4.22Å
235P67.7Low62.7Low77 Ų7780.7 Ų80.750%0.543%0.429SS..PPolyproline II helixtrans-71.411717728.2-33.3000111F233 K237 W301F233-P235 WeakPolarHBondContact O-CD 3.35Å; P235-K237 PolarHBondContact O-N 3.18Å; P235-W301 HydrophobicContact CG-CB 4.5Å; P235-W301 HydrophobicContact CG-CG 4.18Å
236T59.3Low61Low103 Ų10386 Ų8663%0.63245%0.454SS*.PPolyproline II helixtrans-57.5126.5174-11.90000109.9C234 R238C234-T236 PolarHBondContact O-N 2.97Å; T236-R238 PolarHBondContact O-N 2.82Å
237K51.6Low59.9Low194 Ų19489.1 Ų89.184%0.84347%0.472SS*.  trans-65.1112.9178.5-77.9-179.4-178.2169.40109.1P235 K239P235-K237 PolarHBondContact O-N 3.18Å; K237-K239 PolarHBondContact O-N 3.36Å
238R38.4Very low59.2Low255 Ų25589.4 Ų89.496%0.96247%0.474SS*.  trans-68.170-178-156.8-177.4-160178.96.2112.6T236T236-R238 PolarHBondContact O-N 2.82Å
239K33.8Very low58.8Low180 Ų18092.8 Ų92.878%0.78350%0.495SS*.SBendtrans-101.5144.2153.6-76.3-171.2172.8-173.60107.6K237 L241K237-K239 PolarHBondContact O-N 3.36Å; K239-L241 PolarHBondContact O-N 2.88Å
240L39.8Very low58.5Low180 Ų18097.2 Ų97.294%0.94252%0.515SS*.  trans-58.3108.2175.6-101.668.4000109.1
241L39.4Very low58Low125 Ų125103.2 Ų103.265%0.65454%0.543SS*.  trans-126.8140.8163.3-61.6176.1000106.4K239 E245K239-L241 PolarHBondContact O-N 2.88Å; L241-E245 WeakPolarHBondContact CD2-OE2 3.35Å
242T33.7Very low57.9Low107 Ų107104 Ų10466%0.65655%0.547SS*.  trans-69.3155.4-177.830.30000110.8A244 E245T242-A244 PolarHBondContact O-N 3.37Å; T242-E245 PolarHBondContact O-N 3.41Å
243A40.3Very low57.9Low104 Ų104105.5 Ų105.586%0.8655%0.551SS**THydrogen-bonded Turntrans-61.51.2-174.100000115.9
244A39.5Very low58.1Low96 Ų96105.4 Ų105.479%0.79356%0.557SS**THydrogen-bonded Turntrans-90.6-7.7174.200000113.8T242T242-A244 PolarHBondContact O-N 3.37Å
245E43.8Very low58.3Low116 Ų116108.6 Ų108.654%0.54257%0.57SS.*  trans-111.310.8-176.8-67-176.2164.200114L241 T242 V247L241-E245 WeakPolarHBondContact CD2-OE2 3.35Å; T242-E245 PolarHBondContact O-N 3.41Å; E245-V247 PolarHBondContact O-N 3.22Å
246E50Low59.1Low113 Ų113105 Ų10553%0.52855%0.548SS..  trans-76.6100.6163.4-75.1-156.4-159.400110.1L248 R253E246-L248 PolarHBondContact O-N 3.23Å; E246-L248 VanDerWaalsContact O-N 3.09Å; E246-R253 IonicContact OE2-CZ 2.72Å; E246-R253 VanDerWaalsContact OE2-CZ 3.25Å; E246-R253 IonicContact OE2-NH1 2.84Å; E246-R253 PolarHBondContact OE2-NH1 3.35Å; E246-R253 IonicContact OE2-NH2 3.22Å; E246-R253 PolarHBondContact OE2-NH2 2.94Å
247V60.4Low60.3Low65 Ų65103.2 Ų103.239%0.39453%0.529SS..SBendtrans-60.9-17.6-176.1177.40000114.7D191 R194 E245D191-V247 HydrophobicContact CB-CG1 3.87Å; D191-V247 HydrophobicContact CB-CG2 4.31Å; D191-V247 WeakPolarHBondContact OD2-CG1 3.18Å; R194-V247 HydrophobicContact CB-CG1 4Å; E245-V247 PolarHBondContact O-N 3.22Å
248L68.8Low61.8Low7 Ų795.3 Ų95.34%0.03750%0.502CS..SBendtrans-130.7136.5176.9-71.2173.4000109.9T193 Y197 L231 E246 E252 R253T193-L248 HydrophobicContact CG2-CD1 3.64Å; T193-L248 HydrophobicContact CG2-CG 4.29Å; Y197-L248 HydrophobicContact CD1-CD2 4.15Å; Y197-L248 HydrophobicContact CD2-CD2 4.22Å; Y197-L248 HydrophobicContact CG-CD2 3.82Å; L231-L248 HydrophobicContact CD2-CD1 3.65Å; E246-L248 PolarHBondContact O-N 3.23Å; E246-L248 VanDerWaalsContact O-N 3.09Å; L248-E252 WeakPolarHBondContact CA-OE2 3.35Å; L248-E252 HydrophobicContact CD2-CB 4.36Å; L248-R253 PolarHBondContact O-NH2 3.31Å
249T77.3Confident64.1Low74 Ų7484.4 Ų84.445%0.45447%0.467SS..  trans-73157.6174.269.20000111.1E251 E252 R253T249-E251 PolarHBondContact O-N 2.9Å; T249-E252 PolarHBondContact N-OE2 2.96Å; T249-E252 PolarHBondContact O-N 3.37Å; T249-E252 VanDerWaalsContact O-N 3.14Å; T249-E252 VanDerWaalsContact OG1-CG 3.29Å; T249-E252 WeakPolarHBondContact OG1-CG 3.47Å; T249-E252 PolarHBondContact OG1-N 2.76Å; T249-E252 VanDerWaalsContact OG1-N 3.12Å; T249-E252 PolarHBondContact OG1-OE2 3Å; T249-R253 PolarHBondContact O-N 3.1Å; T249-R253 VanDerWaalsContact O-N 3.12Å
250E77.3Confident66.6Low93 Ų9375.9 Ų75.944%0.43543%0.43SS..Hα-helixtrans-65.8-26176.1-168.854.6-145.300112.2R253 T254 R257E250-R253 PolarHBondContact O-N 3.06Å; E250-R253 WeakPolarHBondContact OE2-CD 3.27Å; E250-R253 IonicContact OE2-CZ 3.21Å; E250-R253 IonicContact OE2-NH1 2.72Å; E250-R253 PolarHBondContact OE2-NH1 3.25Å; E250-T254 WeakPolarHBondContact O-CG2 3.26Å; E250-T254 PolarHBondContact O-N 3.22Å; E250-R257 IonicContact OE1-CZ 2.74Å; E250-R257 IonicContact OE1-NH1 2.93Å; E250-R257 PolarHBondContact OE1-NH1 3.21Å; E250-R257 IonicContact OE1-NH2 2.71Å; E250-R257 PolarHBondContact OE1-NH2 3.46Å
251E76.2Confident68.8Low149 Ų14973.6 Ų73.670%0.69641%0.409SS*.Hα-helixtrans-64.7-43.8170.7-63.2179.1-177.700111.6T249 R253 T254 L255T249-E251 PolarHBondContact O-N 2.9Å; E251-R253 PolarHBondContact O-N 3.03Å; E251-T254 WeakPolarHBondContact CA-OG1 3.43Å; E251-T254 PolarHBondContact O-N 3.42Å; E251-T254 PolarHBondContact O-OG1 3.08Å; E251-L255 WeakPolarHBondContact O-CB 3.23Å; E251-L255 VanDerWaalsContact O-CG 3.27Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 2.94Å
252E79.7Confident71Confident23 Ų2372 Ų7211%0.10740%0.401CS..Hα-helixtrans-64.1-31174.6-69.9170.4143.200111.8R194 Y197 L248 T249 S256R194-E252 IonicContact CZ-OE1 2.63Å; R194-E252 IonicContact NH1-OE1 3.79Å; R194-E252 PolarHBondContact NH1-OE1 3.03Å; R194-E252 IonicContact NH1-OE2 3.41Å; R194-E252 PolarHBondContact NH1-OE2 2.96Å; R194-E252 IonicContact NH2-OE1 2.95Å; R194-E252 PolarHBondContact NH2-OE1 3.27Å; Y197-E252 HydrophobicContact CE1-CG 4.26Å; Y197-E252 HydrophobicContact CE2-CB 3.97Å; Y197-E252 HydrophobicContact CE2-CG 4.39Å; L248-E252 WeakPolarHBondContact CA-OE2 3.35Å; L248-E252 HydrophobicContact CD2-CB 4.36Å; T249-E252 PolarHBondContact N-OE2 2.96Å; T249-E252 PolarHBondContact O-N 3.37Å; T249-E252 VanDerWaalsContact O-N 3.14Å; T249-E252 VanDerWaalsContact OG1-CG 3.29Å; T249-E252 WeakPolarHBondContact OG1-CG 3.47Å; T249-E252 PolarHBondContact OG1-N 2.76Å; T249-E252 VanDerWaalsContact OG1-N 3.12Å; T249-E252 PolarHBondContact OG1-OE2 3Å; E252-S256 WeakPolarHBondContact O-CB 3.44Å; E252-S256 PolarHBondContact O-N 3.03Å; E252-S256 PolarHBondContact O-OG 3.44Å
253R81.5Confident73.5Confident37 Ų3767.1 Ų67.114%0.1437%0.37CS..Hα-helixtrans-72-42.8171.8-60-173.1-163119.35.4112.2E246 L248 T249 E250 E251 L255 S256 R257E246-R253 IonicContact OE2-CZ 2.72Å; E246-R253 VanDerWaalsContact OE2-CZ 3.25Å; E246-R253 IonicContact OE2-NH1 2.84Å; E246-R253 PolarHBondContact OE2-NH1 3.35Å; E246-R253 IonicContact OE2-NH2 3.22Å; E246-R253 PolarHBondContact OE2-NH2 2.94Å; L248-R253 PolarHBondContact O-NH2 3.31Å; T249-R253 PolarHBondContact O-N 3.1Å; T249-R253 VanDerWaalsContact O-N 3.12Å; E250-R253 PolarHBondContact O-N 3.06Å; E250-R253 WeakPolarHBondContact OE2-CD 3.27Å; E250-R253 IonicContact OE2-CZ 3.21Å; E250-R253 IonicContact OE2-NH1 2.72Å; E250-R253 PolarHBondContact OE2-NH1 3.25Å; E251-R253 PolarHBondContact O-N 3.03Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 2.98Å; R253-S256 PolarHBondContact O-N 2.79Å; R253-R257 WeakPolarHBondContact O-CG 3.5Å; R253-R257 PolarHBondContact O-N 3.4Å
254T81.8Confident75.6Confident72 Ų7262.1 Ų62.144%0.44233%0.329SS..Hα-helixtrans-62.2-42.3174.559.10000111.4E250 E251 S256 R257 G258E250-T254 WeakPolarHBondContact O-CG2 3.26Å; E250-T254 PolarHBondContact O-N 3.22Å; E251-T254 WeakPolarHBondContact CA-OG1 3.43Å; E251-T254 PolarHBondContact O-N 3.42Å; E251-T254 PolarHBondContact O-OG1 3.08Å; T254-S256 VanDerWaalsContact C-N 3.35Å; T254-S256 PolarHBondContact O-N 2.97Å; T254-R257 PolarHBondContact O-N 3.3Å; T254-G258 PolarHBondContact O-N 2.95Å
255L84.6Confident77.7Confident110 Ų11061 Ų6158%0.57631%0.31SS*.Hα-helixtrans-60.8-42174.3-70.6170.7000111.8E251 R253 R257 G258 A259E251-L255 WeakPolarHBondContact O-CB 3.23Å; E251-L255 VanDerWaalsContact O-CG 3.27Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 2.94Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 2.98Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 3.24Å; L255-G258 PolarHBondContact O-N 3.22Å; L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.43Å
256S83.1Confident79.5Confident3 Ų362.2 Ų62.22%0.02132%0.316CS..Hα-helixtrans-63.8-36.3175-58.20000112.4E252 R253 T254 L260E252-S256 WeakPolarHBondContact O-CB 3.44Å; E252-S256 PolarHBondContact O-N 3.03Å; E252-S256 PolarHBondContact O-OG 3.44Å; R253-S256 PolarHBondContact O-N 2.79Å; T254-S256 VanDerWaalsContact C-N 3.35Å; T254-S256 PolarHBondContact O-N 2.97Å; S256-L260 WeakPolarHBondContact O-CB 3.43Å; S256-L260 PolarHBondContact O-N 2.95Å; S256-L260 VanDerWaalsContact O-N 3.12Å
257R84.6Confident81Confident65 Ų6557.5 Ų57.525%0.24530%0.295CS..Hα-helixtrans-70.1-37.4174.6-67.5-172.2-70.2-1036.4112.6G232 F233 E250 R253 T254 L255 R261G232-R257 WeakPolarHBondContact O-CD 3.38Å; G232-R257 PolarHBondContact O-NH1 3.13Å; F233-R257 HydrophobicContact CD2-CG 4.18Å; F233-R257 HydrophobicContact CE1-CG 4.09Å; F233-R257 HydrophobicContact CE2-CB 4.31Å; F233-R257 HydrophobicContact CE2-CG 3.61Å; F233-R257 HydrophobicContact CZ-CB 4.16Å; F233-R257 HydrophobicContact CZ-CG 3.57Å; E250-R257 IonicContact OE1-CZ 2.74Å; E250-R257 IonicContact OE1-NH1 2.93Å; E250-R257 PolarHBondContact OE1-NH1 3.21Å; E250-R257 IonicContact OE1-NH2 2.71Å; E250-R257 PolarHBondContact OE1-NH2 3.46Å; R253-R257 WeakPolarHBondContact O-CG 3.5Å; R253-R257 PolarHBondContact O-N 3.4Å; T254-R257 PolarHBondContact O-N 3.3Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 3.24Å; R257-R261 PolarHBondContact O-N 3.43Å
258G84.9Confident82Confident27 Ų2760.3 Ų60.328%0.27830%0.299SS..Hα-helixtrans-63.9-55.5172.800000111.4T254 L255 L260 R261 D262T254-G258 PolarHBondContact O-N 2.95Å; L255-G258 PolarHBondContact O-N 3.22Å; G258-L260 VanDerWaalsContact C-N 3.26Å; G258-L260 PolarHBondContact O-N 2.95Å; G258-R261 WeakPolarHBondContact O-CA 3.26Å; G258-R261 WeakPolarHBondContact O-CB 3.35Å; G258-R261 PolarHBondContact O-N 2.89Å; G258-D262 PolarHBondContact O-N 3.44Å
259A85Confident82.8Confident26 Ų2662.2 Ų62.222%0.21531%0.308CS..Hα-helixtrans-56.7-35.4179.500000113.6L204 L255 M263L204-A259 HydrophobicContact CD1-CB 3.81Å; L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.43Å; A259-M263 WeakPolarHBondContact O-CB 3.5Å; A259-M263 PolarHBondContact O-N 2.89Å
260L86.6Confident83.1Confident2 Ų259.1 Ų59.11%0.0129%0.289CS..Hα-helixtrans-62.5-41.7172.8179.862.7000112A225 L228 F233 S256 G258 M263 L264 L309A225-L260 HydrophobicContact CB-CD1 4.38Å; L228-L260 HydrophobicContact CB-CB 4.13Å; L228-L260 HydrophobicContact CB-CD1 4.11Å; L228-L260 HydrophobicContact CD1-CB 4.33Å; L228-L260 HydrophobicContact CD1-CD1 4.38Å; F233-L260 HydrophobicContact CE2-CD2 3.94Å; S256-L260 WeakPolarHBondContact O-CB 3.43Å; S256-L260 PolarHBondContact O-N 2.95Å; S256-L260 VanDerWaalsContact O-N 3.12Å; G258-L260 VanDerWaalsContact C-N 3.26Å; G258-L260 PolarHBondContact O-N 2.95Å; L260-M263 HydrophobicContact CD1-CE 4.15Å; L260-L264 HydrophobicContact CD1-CD1 4.13Å; L260-L264 HydrophobicContact CD1-CG 4.41Å; L260-L264 HydrophobicContact CG-CD1 3.96Å; L260-L264 WeakPolarHBondContact O-CB 3.34Å; L260-L264 WeakPolarHBondContact O-CD1 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 2.93Å; L260-L309 HydrophobicContact CD2-CD1 4.21Å
261R85.8Confident83.3Confident132 Ų13256.6 Ų56.650%0.49828%0.278SS..Hα-helixtrans-68.7-47.6177.6-71.2174.9167.4-177.9-6111.1R257 G258 M263 L264 D265R257-R261 PolarHBondContact O-N 3.43Å; G258-R261 WeakPolarHBondContact O-CA 3.26Å; G258-R261 WeakPolarHBondContact O-CB 3.35Å; G258-R261 PolarHBondContact O-N 2.89Å; R261-M263 VanDerWaalsContact C-N 3.29Å; R261-M263 PolarHBondContact O-N 3.37Å; R261-L264 PolarHBondContact O-N 3.26Å; R261-L264 VanDerWaalsContact O-N 3.15Å; R261-D265 WeakPolarHBondContact O-CB 3.37Å; R261-D265 PolarHBondContact O-N 3.36Å
262D85.7Confident83.7Confident92 Ų9249.5 Ų49.549%0.49225%0.245SC..Hα-helixtrans-58.9-43178.7-58-29000111G258 D265 Q266G258-D262 PolarHBondContact O-N 3.44Å; D262-D265 PolarHBondContact O-N 2.91Å; D262-Q266 WeakPolarHBondContact O-CB 3.42Å; D262-Q266 VanDerWaalsContact O-CG 3.25Å; D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.96Å
263M85.7Confident83.9Confident3 Ų348.5 Ų48.52%0.01524%0.24CC..Hα-helixtrans-66.6-40.5176.1-172.3-173.174.200112.7L204 F217 F221 I224 A225 L228 A259 L260 R261 D265 V267L204-M263 HydrophobicContact CD2-CB 4.49Å; L204-M263 HydrophobicContact CD2-CG 4.46Å; L204-M263 HydrophobicContact CD2-SD 4.09Å; F217-M263 HydrophobicContact CD1-CG 4.25Å; F217-M263 HydrophobicContact CD1-SD 4.38Å; F217-M263 HydrophobicContact CE1-CG 3.56Å; F217-M263 HydrophobicContact CE1-SD 3.78Å; F217-M263 HydrophobicContact CZ-CG 4.02Å; F221-M263 HydrophobicContact CD2-CE 3.99Å; F221-M263 HydrophobicContact CD2-CG 4.12Å; F221-M263 HydrophobicContact CD2-SD 4.15Å; F221-M263 HydrophobicContact CE2-CE 3.73Å; F221-M263 HydrophobicContact CE2-CG 3.87Å; F221-M263 HydrophobicContact CE2-SD 4.25Å; F221-M263 HydrophobicContact CZ-CE 4.15Å; I224-M263 HydrophobicContact CB-SD 4.28Å; I224-M263 HydrophobicContact CG2-CE 4.41Å; I224-M263 HydrophobicContact CG2-SD 3.7Å; A225-M263 HydrophobicContact CB-CE 3.76Å; L228-M263 HydrophobicContact CD1-CE 4.12Å; L228-M263 HydrophobicContact CD1-SD 4.2Å; A259-M263 WeakPolarHBondContact O-CB 3.5Å; A259-M263 PolarHBondContact O-N 2.89Å; L260-M263 HydrophobicContact CD1-CE 4.15Å; R261-M263 VanDerWaalsContact C-N 3.29Å; R261-M263 PolarHBondContact O-N 3.37Å; M263-D265 PolarHBondContact O-N 2.98Å; M263-V267 WeakPolarHBondContact O-CG2 3.4Å; M263-V267 PolarHBondContact O-N 3.08Å
264L85Confident83.8Confident0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-64.2-27174.5-79.4164.6000112.5F221 L260 R261 Q269 A272 L276 L309F221-L264 HydrophobicContact CZ-CD2 3.94Å; L260-L264 HydrophobicContact CD1-CD1 4.13Å; L260-L264 HydrophobicContact CD1-CG 4.41Å; L260-L264 HydrophobicContact CG-CD1 3.96Å; L260-L264 WeakPolarHBondContact O-CB 3.34Å; L260-L264 WeakPolarHBondContact O-CD1 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.35Å; L260-L264 PolarHBondContact O-N 2.93Å; R261-L264 PolarHBondContact O-N 3.26Å; R261-L264 VanDerWaalsContact O-N 3.15Å; L264-Q269 PolarHBondContact O-NE2 3.47Å; L264-A272 HydrophobicContact CD2-CB 4.02Å; L264-L276 HydrophobicContact CD2-CD1 3.88Å; L264-L276 HydrophobicContact CD2-CG 4.26Å; L264-L309 HydrophobicContact CD1-CD1 4.12Å; L264-L309 HydrophobicContact CD1-CD2 4.09Å
265D83.9Confident83.7Confident71 Ų7149.8 Ų49.838%0.3824%0.239SC..Hα-helixtrans-93-25.5-174.7-68.41.8000112.6R261 D262 M263 R313 R316R261-D265 WeakPolarHBondContact O-CB 3.37Å; R261-D265 PolarHBondContact O-N 3.36Å; D262-D265 PolarHBondContact O-N 2.91Å; M263-D265 PolarHBondContact O-N 2.98Å; D265-R313 IonicContact OD1-CZ 2.86Å; D265-R313 IonicContact OD1-NH1 3.29Å; D265-R313 PolarHBondContact OD1-NH1 3.42Å; D265-R316 VanDerWaalsContact CG-NH2 3.28Å; D265-R316 IonicContact OD1-CZ 3.53Å; D265-R316 VanDerWaalsContact OD1-CZ 3.31Å; D265-R316 IonicContact OD1-NH1 2.8Å; D265-R316 PolarHBondContact OD1-NH1 3.37Å; D265-R316 IonicContact OD1-NH2 2.85Å; D265-R316 PolarHBondContact OD1-NH2 2.98Å; D265-R316 VanDerWaalsContact OD1-NH2 3.09Å; D265-R316 IonicContact OD2-CZ 3.25Å; D265-R316 IonicContact OD2-NH1 3.19Å; D265-R316 PolarHBondContact OD2-NH1 3.01Å; D265-R316 IonicContact OD2-NH2 2.71Å; D265-R316 PolarHBondContact OD2-NH2 3.11Å
266Q81.9Confident83.6Confident143 Ų14344.7 Ų44.767%0.66821%0.212SC*.Hα-helixtrans-81.3-21.5175.9-72.4171.416.800114.4D262D262-Q266 WeakPolarHBondContact O-CB 3.42Å; D262-Q266 VanDerWaalsContact O-CG 3.25Å; D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.96Å
267V80.6Confident83.5Confident14 Ų1447.1 Ų47.19%0.08522%0.224CC..SBendtrans-93.6153.5-172.7172.90000111.9F217 F221 M263 Q269 L271F217-V267 HydrophobicContact CB-CG2 3.98Å; F217-V267 HydrophobicContact CD1-CG2 4.15Å; F217-V267 HydrophobicContact CD2-CG2 3.82Å; F217-V267 HydrophobicContact CE2-CG2 4.32Å; F217-V267 HydrophobicContact CG-CG2 3.72Å; F221-V267 HydrophobicContact CD2-CB 4.24Å; F221-V267 HydrophobicContact CD2-CG1 4.03Å; F221-V267 HydrophobicContact CD2-CG2 3.81Å; F221-V267 HydrophobicContact CE2-CB 3.84Å; F221-V267 HydrophobicContact CE2-CG1 3.92Å; F221-V267 HydrophobicContact CE2-CG2 3.73Å; M263-V267 WeakPolarHBondContact O-CG2 3.4Å; M263-V267 PolarHBondContact O-N 3.08Å; V267-Q269 PolarHBondContact O-N 3.41Å; V267-Q269 PolarHBondContact O-NE2 3.36Å; V267-L271 HydrophobicContact CG1-CB 4.4Å; V267-L271 HydrophobicContact CG1-CD2 4.06Å; V267-L271 HydrophobicContact CG1-CG 4.48Å
268Y81.9Confident83.3Confident123 Ų12347.6 Ų47.648%0.48223%0.231SC..  trans-51.6112.8173.6179.9-121.2000110.4P270 L271 A272 R325 E329Y268-P270 VanDerWaalsContact C-CD 3.47Å; Y268-P270 VanDerWaalsContact C-N 3.35Å; Y268-P270 HydrophobicContact CD1-CB 4.03Å; Y268-P270 HydrophobicContact CD1-CG 4.1Å; Y268-P270 HydrophobicContact CD2-CG 4.42Å; Y268-P270 HydrophobicContact CE1-CB 3.58Å; Y268-P270 HydrophobicContact CE1-CG 3.57Å; Y268-P270 HydrophobicContact CE2-CG 3.92Å; Y268-P270 HydrophobicContact CG-CG 4.5Å; Y268-P270 VanDerWaalsContact CZ-CG 3.47Å; Y268-L271 HydrophobicContact CD1-CB 4.32Å; Y268-L271 WeakPolarHBondContact O-CB 3.44Å; Y268-L271 PolarHBondContact O-N 2.82Å; Y268-A272 PolarHBondContact O-N 3.36Å; Y268-R325 PolarHBondContact OH-NH1 3.13Å; Y268-R325 VanDerWaalsContact OH-NH1 3.12Å; Y268-E329 PolarHBondContact OH-OE2 2.98Å
269Q85.2Confident82.9Confident48 Ų4846.7 Ų46.722%0.22422%0.22CC..Hα-helixtrans-56.3-36.1-167-62.9-63.4-71.100114.6L264 V267 L271 A272 V273 A322L264-Q269 PolarHBondContact O-NE2 3.47Å; V267-Q269 PolarHBondContact O-N 3.41Å; V267-Q269 PolarHBondContact O-NE2 3.36Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 3.37Å; Q269-A272 WeakPolarHBondContact O-CB 3.27Å; Q269-A272 PolarHBondContact O-N 3.49Å; Q269-V273 WeakPolarHBondContact O-CG2 3.42Å; Q269-V273 PolarHBondContact O-N 2.84Å; Q269-A322 HydrophobicContact CB-CB 3.63Å
270P83.9Confident82.7Confident8 Ų848.1 Ų48.15%0.05222%0.222CC..Hα-helixtrans-58.9-36.9172.2-29.739.3000114.5Y268 R274 A322 R325 G326Y268-P270 VanDerWaalsContact C-CD 3.47Å; Y268-P270 VanDerWaalsContact C-N 3.35Å; Y268-P270 HydrophobicContact CD1-CB 4.03Å; Y268-P270 HydrophobicContact CD1-CG 4.1Å; Y268-P270 HydrophobicContact CD2-CG 4.42Å; Y268-P270 HydrophobicContact CE1-CB 3.58Å; Y268-P270 HydrophobicContact CE1-CG 3.57Å; Y268-P270 HydrophobicContact CE2-CG 3.92Å; Y268-P270 HydrophobicContact CG-CG 4.5Å; Y268-P270 VanDerWaalsContact CZ-CG 3.47Å; P270-R274 VanDerWaalsContact O-CB 3.27Å; P270-R274 WeakPolarHBondContact O-CB 3.23Å; P270-R274 PolarHBondContact O-N 3.33Å; P270-A322 WeakPolarHBondContact CA-O 3.5Å; P270-A322 HydrophobicContact CG-CB 4.33Å; P270-R325 HydrophobicContact CB-CB 3.72Å; P270-R325 HydrophobicContact CG-CB 3.54Å; P270-R325 HydrophobicContact CG-CG 4.38Å; P270-G326 WeakPolarHBondContact O-CA 3.43Å
271L81Confident81.7Confident41 Ų4149.8 Ų49.822%0.21524%0.239CC..Hα-helixtrans-68.3-42175.2-177.962.6000110.6V267 Y268 Q269 R274 E275V267-L271 HydrophobicContact CG1-CB 4.4Å; V267-L271 HydrophobicContact CG1-CD2 4.06Å; V267-L271 HydrophobicContact CG1-CG 4.48Å; Y268-L271 HydrophobicContact CD1-CB 4.32Å; Y268-L271 WeakPolarHBondContact O-CB 3.44Å; Y268-L271 PolarHBondContact O-N 2.82Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 3.37Å; L271-R274 PolarHBondContact O-N 2.99Å; L271-E275 HydrophobicContact CD1-CG 4.23Å; L271-E275 WeakPolarHBondContact O-CG 3.35Å; L271-E275 PolarHBondContact O-N 3.49Å
272A84.1Confident80.4Confident0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-60.5-45.9175.300000112.1F221 L264 Y268 Q269 L276F221-A272 HydrophobicContact CE1-CB 4.33Å; F221-A272 HydrophobicContact CZ-CB 3.94Å; L264-A272 HydrophobicContact CD2-CB 4.02Å; Y268-A272 PolarHBondContact O-N 3.36Å; Q269-A272 WeakPolarHBondContact O-CB 3.27Å; Q269-A272 PolarHBondContact O-N 3.49Å; A272-L276 WeakPolarHBondContact O-CB 3.49Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.38Å; A272-L276 PolarHBondContact O-N 2.97Å
273V84.1Confident78.4Confident1 Ų147 Ų471%0.00626%0.255CS..Hα-helixtrans-61.4-48.2175.3169.10000111.4Q269 E275 L276 L277 L310 V323Q269-V273 WeakPolarHBondContact O-CG2 3.42Å; Q269-V273 PolarHBondContact O-N 2.84Å; V273-E275 PolarHBondContact O-N 3.42Å; V273-L276 PolarHBondContact O-N 3.42Å; V273-L277 HydrophobicContact CG1-CD1 3.77Å; V273-L277 HydrophobicContact CG1-CG 4.31Å; V273-L277 WeakPolarHBondContact O-CG 3.39Å; V273-L277 PolarHBondContact O-N 2.81Å; V273-L310 HydrophobicContact CB-CD2 4.23Å; V273-L310 HydrophobicContact CG1-CD2 3.82Å; V273-L310 HydrophobicContact CG2-CD2 4.27Å; V273-V323 HydrophobicContact CG1-CB 4.45Å; V273-V323 HydrophobicContact CG1-CG2 4.11Å; V273-V323 HydrophobicContact CG2-CG2 3.89Å
274R79.9Confident76.3Confident98 Ų9852.3 Ų52.337%0.3729%0.289SS..Hα-helixtrans-55.3-49.9179.2172.3-179.6166.4158.74.6111.7P270 L271 L277 I278P270-R274 VanDerWaalsContact O-CB 3.27Å; P270-R274 WeakPolarHBondContact O-CB 3.23Å; P270-R274 PolarHBondContact O-N 3.33Å; L271-R274 PolarHBondContact O-N 2.99Å; R274-L277 PolarHBondContact O-N 3.06Å; R274-I278 HydrophobicContact CG-CD1 4.02Å; R274-I278 WeakPolarHBondContact O-CG1 3.33Å; R274-I278 PolarHBondContact O-N 3.18Å
275E80.1Confident73.9Confident39 Ų3959.3 Ų59.318%0.18232%0.322CS..Hα-helixtrans-71.2-35-178.2-65.7-58.1132.300111.9F221 L271 V273 L277 I278 L279F221-E275 HydrophobicContact CD1-CB 3.85Å; F221-E275 HydrophobicContact CD1-CG 3.92Å; F221-E275 HydrophobicContact CE1-CB 3.96Å; F221-E275 HydrophobicContact CE1-CG 4.45Å; L271-E275 HydrophobicContact CD1-CG 4.23Å; L271-E275 WeakPolarHBondContact O-CG 3.35Å; L271-E275 PolarHBondContact O-N 3.49Å; V273-E275 PolarHBondContact O-N 3.42Å; E275-L277 PolarHBondContact O-N 3.09Å; E275-I278 PolarHBondContact O-N 2.9Å; E275-I278 WeakPolarHBondContact OE1-CD1 3.33Å; E275-L279 WeakPolarHBondContact O-CB 3.19Å; E275-L279 VanDerWaalsContact O-CG 3.26Å; E275-L279 WeakPolarHBondContact O-CG 3.4Å; E275-L279 PolarHBondContact O-N 3.34Å
276L83.3Confident71.2Confident2 Ų261.4 Ų61.41%0.0134%0.342CS..Hα-helixtrans-62.8-38171-75.4174.2000112.9L264 A272 V273 L279 Q280 L309 L310L264-L276 HydrophobicContact CD2-CD1 3.88Å; L264-L276 HydrophobicContact CD2-CG 4.26Å; A272-L276 WeakPolarHBondContact O-CB 3.49Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.38Å; A272-L276 PolarHBondContact O-N 2.97Å; V273-L276 PolarHBondContact O-N 3.42Å; L276-L279 PolarHBondContact O-N 3.49Å; L276-Q280 WeakPolarHBondContact O-CB 3.49Å; L276-Q280 PolarHBondContact O-N 2.95Å; L276-L309 HydrophobicContact CD1-CB 3.9Å; L276-L309 HydrophobicContact CD2-CB 4.29Å; L276-L309 HydrophobicContact CD2-CD1 4.01Å; L276-L310 HydrophobicContact CB-CD1 4.32Å; L276-L310 HydrophobicContact CB-CD2 3.75Å; L276-L310 HydrophobicContact CB-CG 3.9Å; L276-L310 HydrophobicContact CD1-CD2 4.09Å; L276-L310 HydrophobicContact CD1-CG 4.22Å
277L80.6Confident68.7Low54 Ų5459.4 Ų59.428%0.28334%0.343SS..Hα-helixtrans-66.5-39.8174-72.9167.6000111.9V273 R274 E275 Q280 G281 L310 I327V273-L277 HydrophobicContact CG1-CD1 3.77Å; V273-L277 HydrophobicContact CG1-CG 4.31Å; V273-L277 WeakPolarHBondContact O-CG 3.39Å; V273-L277 PolarHBondContact O-N 2.81Å; R274-L277 PolarHBondContact O-N 3.06Å; E275-L277 PolarHBondContact O-N 3.09Å; L277-Q280 PolarHBondContact O-N 3.39Å; L277-G281 PolarHBondContact O-N 3.21Å; L277-L310 HydrophobicContact CD2-CD1 3.71Å; L277-L310 HydrophobicContact CG-CD1 4.1Å; L277-L310 HydrophobicContact CG-CD2 4.29Å; L277-I327 HydrophobicContact CD1-CD1 4.03Å; L277-I327 HydrophobicContact CD1-CG1 3.58Å
278I79.6Confident66.3Low76 Ų7665.4 Ų65.439%0.3938%0.38SS..Hα-helixtrans-62.2-45173.7-69.5163.8000110.3V168 R274 E275 Q280 G281V168-I278 HydrophobicContact CG2-CG2 4.02Å; R274-I278 HydrophobicContact CG-CD1 4.02Å; R274-I278 WeakPolarHBondContact O-CG1 3.33Å; R274-I278 PolarHBondContact O-N 3.18Å; E275-I278 PolarHBondContact O-N 2.9Å; E275-I278 WeakPolarHBondContact OE1-CD1 3.33Å; I278-Q280 PolarHBondContact O-N 2.86Å; I278-G281 PolarHBondContact O-N 2.94Å; I278-G281 VanDerWaalsContact O-N 3.14Å
279L77.9Confident63.8Low7 Ų765.6 Ų65.64%0.03739%0.389CS..Hα-helixtrans-68-30.4177.4-68.9173000113.7A225 A226 E275 L276 G281A225-L279 HydrophobicContact CB-CD1 4.01Å; A226-L279 HydrophobicContact CB-CD2 3.74Å; E275-L279 WeakPolarHBondContact O-CB 3.19Å; E275-L279 VanDerWaalsContact O-CG 3.26Å; E275-L279 WeakPolarHBondContact O-CG 3.4Å; E275-L279 PolarHBondContact O-N 3.34Å; L276-L279 PolarHBondContact O-N 3.49Å; L279-G281 PolarHBondContact O-N 3.06Å
280Q79.3Confident61.3Low57 Ų5770 Ų7027%0.26642%0.419SS..Hα-helixtrans-67.3-27172.7-164.3176.632.300111.8L276 L277 I278 A298 R303 C306L276-Q280 WeakPolarHBondContact O-CB 3.49Å; L276-Q280 PolarHBondContact O-N 2.95Å; L277-Q280 PolarHBondContact O-N 3.39Å; I278-Q280 PolarHBondContact O-N 2.86Å; Q280-A298 WeakPolarHBondContact O-CB 3.48Å; Q280-R303 HydrophobicContact CG-CB 4.34Å; Q280-R303 HydrophobicContact CG-CG 4.33Å; Q280-R303 PolarHBondContact NE2-O 3.11Å; Q280-R303 VanDerWaalsContact O-CD 3.27Å; Q280-R303 WeakPolarHBondContact O-CD 3.28Å; Q280-R303 WeakPolarHBondContact O-CG 3.43Å; Q280-C306 HydrophobicContact CB-CB 3.89Å; Q280-C306 HydrophobicContact CG-CB 4.21Å
281G66.8Low58.9Low36 Ų3679.2 Ų79.237%0.37146%0.459SS..  trans70.8113.1-173.500000110.8L277 I278 L279L277-G281 PolarHBondContact O-N 3.21Å; I278-G281 PolarHBondContact O-N 2.94Å; I278-G281 VanDerWaalsContact O-N 3.14Å; L279-G281 PolarHBondContact O-N 3.06Å
282G57.8Low56.7Low62 Ų6283.3 Ų83.364%0.63949%0.485SS*.  trans-56.7174.2-171.900000116.2
283P44.9Very low54.4Low105 Ų10591.5 Ų91.568%0.68252%0.524SS*.  trans-56.2151.5-17523.2-33.9000112.5Q285P283-Q285 PolarHBondContact O-N 3.05Å
284P39.9Very low52.1Low113 Ų11398.8 Ų98.873%0.73456%0.562SS**  trans-66.498.5-175.128.3-35000111.1S286P284-S286 PolarHBondContact O-N 2.93Å
285Q35.4Very low50.6Low147 Ų147104 Ų10469%0.68758%0.581SS**  trans-71115.2171.3-71.7179.4-37.500109.6P283 C287P283-Q285 PolarHBondContact O-N 3.05Å; Q285-C287 VanDerWaalsContact C-N 3.27Å; Q285-C287 PolarHBondContact O-N 3.28Å
286S27.6Very low49.3Very low115 Ų115105.4 Ų105.480%0.80460%0.595SS**  trans-77.174.5173.455.50000110.6P284 T288P284-S286 PolarHBondContact O-N 2.93Å; S286-T288 PolarHBondContact O-N 3.23Å
287C28.2Very low48.4Very low102 Ų102113.7 Ų113.769%0.68963%0.626SS**  trans-77.8104.9173.5-680000110.4Q285 D289Q285-C287 VanDerWaalsContact C-N 3.27Å; Q285-C287 PolarHBondContact O-N 3.28Å; C287-D289 PolarHBondContact O-N 2.54Å
288T30.1Very low48Very low139 Ų139111.6 Ų111.685%0.85362%0.616SS**  trans-78.461.3169.249.40000110.9S286S286-T288 PolarHBondContact O-N 3.23Å
289D29.3Very low48.1Very low128 Ų128109.2 Ų109.268%0.68461%0.606SS**  trans-143.1126177.3-137.6-23.9000113.1C287 K291C287-D289 PolarHBondContact O-N 2.54Å; D289-K291 VanDerWaalsContact C-N 3.32Å; D289-K291 PolarHBondContact O-N 3.25Å
290V34.4Very low48.1Very low141 Ų141111.2 Ų111.286%0.85562%0.623SS**THydrogen-bonded Turntrans-89.211.8-149177.90000113.6
291K33.1Very low48.3Very low201 Ų201110.8 Ų110.887%0.87462%0.619SS**THydrogen-bonded Turntrans-129.56.4-173.6-71.7-173.3177.6176.60117D289D289-K291 VanDerWaalsContact C-N 3.32Å; D289-K291 PolarHBondContact O-N 3.25Å
292T33.6Very low49.1Very low127 Ų127109.1 Ų109.178%0.77960%0.602SS**SBendtrans-101.7108.5174.7-44.80000110.4
293Q35.9Very low50.1Low171 Ų171109.7 Ų109.780%0.79959%0.585SS**  trans-57.8144.8179.4-68.6179-11.100112R295Q293-R295 PolarHBondContact O-N 3.42Å
294L35.9Very low51.9Low155 Ų155113.1 Ų113.181%0.81258%0.584SS**  trans-42.8118.6-174.7-94.171.9000113.3C296L294-C296 PolarHBondContact O-N 2.84Å; L294-C296 VanDerWaalsContact O-N 3.1Å
295R49.4Very low53.9Low207 Ų207108.2 Ų108.278%0.78155%0.551SS**  trans-59.9112.2154.7-79.2-177.7171169.3-2.6107.7Q293 R297Q293-R295 PolarHBondContact O-N 3.42Å; R295-R297 PolarHBondContact O-N 3.29Å
296C52.3Low56.2Low69 Ų69101.2 Ų101.247%0.46652%0.519SS..  trans-61.5110175.9-61.20000109.4L294L294-C296 PolarHBondContact O-N 2.84Å; L294-C296 VanDerWaalsContact O-N 3.1Å
297R64.3Low58.8Low176 Ų17696.3 Ų96.366%0.66449%0.486SS*.PPolyproline II helixtrans-63.9138.8-177.6-170.5179.6-171.1-177.35.8110.8R295R295-R297 PolarHBondContact O-N 3.29Å
298A72.8Confident61.4Low9 Ų995.6 Ų95.67%0.07447%0.473CS..PPolyproline II helixtrans-54.8137.6177.800000112.3G165 Q280 R303G165-A298 WeakPolarHBondContact O-CA 3.49Å; Q280-A298 WeakPolarHBondContact O-CB 3.48Å; A298-R303 HydrophobicContact CB-CG 3.81Å; A298-R303 WeakPolarHBondContact O-CD 3.41Å; A298-R303 PolarHBondContact O-NE 3.35Å
299P80.8Confident64Low26 Ų2689.2 Ų89.217%0.16943%0.434CS..PPolyproline II helixtrans-52.7145.6-179.1-29.435.3000113.5G165 V166 W301 L302 R303G165-P299 VanDerWaalsContact O-CD 3.29Å; G165-P299 WeakPolarHBondContact O-CD 3.41Å; V166-P299 HydrophobicContact CG2-CG 4.05Å; P299-W301 HydrophobicContact CB-CG 4.29Å; P299-W301 VanDerWaalsContact CB-NE1 3.32Å; P299-W301 PolarHBondContact O-N 3.48Å; P299-L302 HydrophobicContact CB-CB 4.38Å; P299-L302 PolarHBondContact O-N 2.9Å; P299-L302 VanDerWaalsContact O-N 3.1Å; P299-R303 WeakPolarHBondContact O-CG 3.43Å; P299-R303 PolarHBondContact O-N 2.9Å
300A78.1Confident66.7Low49 Ų4984.1 Ų84.141%0.40541%0.406SS..Hα-helixtrans-61.9-28.3-176.600000113.8R304A300-R304 WeakPolarHBondContact O-CG 3.5Å; A300-R304 PolarHBondContact O-N 3Å
301W84.6Confident69Low49 Ų4978.7 Ų78.719%0.18637%0.374CS..Hα-helixtrans-69-47.7173.266.5-97.8000111.1M163 V166 F233 C234 P235 P299 R303 R304 L305M163-W301 HydrophobicContact CE-CZ2 3.82Å; V166-W301 HydrophobicContact CG2-CZ2 4.03Å; F233-W301 HydrophobicContact CB-CE3 4.38Å; F233-W301 HydrophobicContact CB-CZ3 4.2Å; C234-W301 HydrophobicContact CB-CH2 4.37Å; C234-W301 HydrophobicContact CB-CZ2 4.22Å; P235-W301 HydrophobicContact CG-CB 4.5Å; P235-W301 HydrophobicContact CG-CG 4.18Å; P299-W301 HydrophobicContact CB-CG 4.29Å; P299-W301 VanDerWaalsContact CB-NE1 3.32Å; P299-W301 PolarHBondContact O-N 3.48Å; W301-R303 VanDerWaalsContact C-N 3.34Å; W301-R303 PolarHBondContact O-N 3.44Å; W301-R304 PolarHBondContact O-N 3.2Å; W301-L305 HydrophobicContact CZ3-CD2 4.34Å; W301-L305 PolarHBondContact O-N 3.17Å
302L81.8Confident71.4Confident0 Ų072.9 Ų72.90%035%0.35CS..Hα-helixtrans-62.4-41.4179.4-176.862.8000111.2V166 C229 P299 R304 L305 C306V166-L302 HydrophobicContact CB-CD2 4.37Å; V166-L302 HydrophobicContact CG1-CD2 4.15Å; V166-L302 HydrophobicContact CG2-CD2 4.15Å; C229-L302 HydrophobicContact CB-CD1 3.8Å; P299-L302 HydrophobicContact CB-CB 4.38Å; P299-L302 PolarHBondContact O-N 2.9Å; P299-L302 VanDerWaalsContact O-N 3.1Å; L302-R304 VanDerWaalsContact C-N 3.29Å; L302-R304 PolarHBondContact O-N 3.22Å; L302-L305 HydrophobicContact CD1-CD2 4.48Å; L302-L305 PolarHBondContact O-N 3.1Å; L302-C306 PolarHBondContact O-N 2.94Å; L302-C306 PolarHBondContact O-SG 3.13Å; L302-C306 VanDerWaalsContact O-SG 3.4Å
303R80.7Confident73.9Confident74 Ų7467.2 Ų67.228%0.27932%0.315SS..Hα-helixtrans-63.7-31.8177.7-67.4-166.2-69.4101.53114.1Q280 A298 P299 W301 G307Q280-R303 HydrophobicContact CG-CB 4.34Å; Q280-R303 HydrophobicContact CG-CG 4.33Å; Q280-R303 PolarHBondContact NE2-O 3.11Å; Q280-R303 VanDerWaalsContact O-CD 3.27Å; Q280-R303 WeakPolarHBondContact O-CD 3.28Å; Q280-R303 WeakPolarHBondContact O-CG 3.43Å; A298-R303 HydrophobicContact CB-CG 3.81Å; A298-R303 WeakPolarHBondContact O-CD 3.41Å; A298-R303 PolarHBondContact O-NE 3.35Å; P299-R303 WeakPolarHBondContact O-CG 3.43Å; P299-R303 PolarHBondContact O-N 2.9Å; W301-R303 VanDerWaalsContact C-N 3.34Å; W301-R303 PolarHBondContact O-N 3.44Å; R303-G307 PolarHBondContact O-N 3.29Å
304R81.4Confident76.3Confident177 Ų17759.6 Ų59.667%0.66828%0.279SS*.Hα-helixtrans-73.5-44.5173.3-71.2171.3-176.6166.20.6110.6A300 W301 L302 G307 Q308A300-R304 WeakPolarHBondContact O-CG 3.5Å; A300-R304 PolarHBondContact O-N 3Å; W301-R304 PolarHBondContact O-N 3.2Å; L302-R304 VanDerWaalsContact C-N 3.29Å; L302-R304 PolarHBondContact O-N 3.22Å; R304-G307 PolarHBondContact O-N 3.37Å; R304-Q308 WeakPolarHBondContact O-CG 3.4Å; R304-Q308 PolarHBondContact O-N 2.93Å
305L82.3Confident78.5Confident10 Ų1054.9 Ų54.95%0.05225%0.254CS..Hα-helixtrans-61.2-50.7177.4-179.866.9000112.2C229 F233 W301 L302 G307 Q308 L309C229-L305 HydrophobicContact CB-CD2 4.12Å; F233-L305 HydrophobicContact CB-CD2 3.79Å; F233-L305 HydrophobicContact CD1-CD1 3.89Å; F233-L305 HydrophobicContact CD1-CD2 4.38Å; F233-L305 HydrophobicContact CD2-CD1 4.07Å; F233-L305 HydrophobicContact CD2-CD2 3.5Å; F233-L305 VanDerWaalsContact CD2-CD2 3.5Å; F233-L305 HydrophobicContact CD2-CG 4.44Å; F233-L305 HydrophobicContact CE1-CD1 3.84Å; F233-L305 HydrophobicContact CE2-CD1 4.01Å; F233-L305 HydrophobicContact CE2-CD2 4.1Å; F233-L305 HydrophobicContact CG-CD1 3.99Å; F233-L305 HydrophobicContact CG-CD2 3.65Å; F233-L305 HydrophobicContact CG-CG 4.47Å; F233-L305 HydrophobicContact CZ-CD1 3.9Å; W301-L305 HydrophobicContact CZ3-CD2 4.34Å; W301-L305 PolarHBondContact O-N 3.17Å; L302-L305 HydrophobicContact CD1-CD2 4.48Å; L302-L305 PolarHBondContact O-N 3.1Å; L305-G307 VanDerWaalsContact C-N 3.26Å; L305-G307 PolarHBondContact O-N 2.78Å; L305-Q308 WeakPolarHBondContact O-CB 3.24Å; L305-Q308 PolarHBondContact O-N 3.2Å; L305-Q308 VanDerWaalsContact O-N 3.09Å; L305-L309 HydrophobicContact CD1-CD1 4.26Å; L305-L309 HydrophobicContact CD1-CG 4.41Å; L305-L309 HydrophobicContact CG-CD1 4.06Å; L305-L309 WeakPolarHBondContact O-CG 3.23Å; L305-L309 PolarHBondContact O-N 3.1Å
306C83.4Confident80.2Confident0 Ų048.9 Ų48.90%023%0.231CC..Hα-helixtrans-60.4-37.9175.5-63.60000111.3Q280 L302 Q308 L309 L310Q280-C306 HydrophobicContact CB-CB 3.89Å; Q280-C306 HydrophobicContact CG-CB 4.21Å; L302-C306 PolarHBondContact O-N 2.94Å; L302-C306 PolarHBondContact O-SG 3.13Å; L302-C306 VanDerWaalsContact O-SG 3.4Å; C306-Q308 PolarHBondContact O-N 3.24Å; C306-L309 PolarHBondContact O-N 3.13Å; C306-L310 VanDerWaalsContact O-CB 3.24Å; C306-L310 WeakPolarHBondContact O-CB 3.25Å; C306-L310 WeakPolarHBondContact O-CD1 3.45Å; C306-L310 WeakPolarHBondContact O-CG 3.35Å; C306-L310 PolarHBondContact O-N 2.97Å
307G82.4Confident81.5Confident12 Ų1251 Ų5112%0.12424%0.244CC..Hα-helixtrans-63.1-37.8173.500000113.7R303 R304 L305 S311R303-G307 PolarHBondContact O-N 3.29Å; R304-G307 PolarHBondContact O-N 3.37Å; L305-G307 VanDerWaalsContact C-N 3.26Å; L305-G307 PolarHBondContact O-N 2.78Å; G307-S311 WeakPolarHBondContact O-CB 3.29Å; G307-S311 PolarHBondContact O-N 2.97Å; G307-S311 PolarHBondContact O-OG 3.21Å
308Q83.6Confident82.4Confident88 Ų8847.3 Ų47.341%0.41124%0.238SC..Hα-helixtrans-64.4-53.2172.8-73.7170.7-34.100111R304 L305 C306 L310 S311 E312 Q364R304-Q308 WeakPolarHBondContact O-CG 3.4Å; R304-Q308 PolarHBondContact O-N 2.93Å; L305-Q308 WeakPolarHBondContact O-CB 3.24Å; L305-Q308 PolarHBondContact O-N 3.2Å; L305-Q308 VanDerWaalsContact O-N 3.09Å; C306-Q308 PolarHBondContact O-N 3.24Å; Q308-L310 VanDerWaalsContact C-N 3.33Å; Q308-L310 PolarHBondContact O-N 3.04Å; Q308-S311 PolarHBondContact O-N 3.31Å; Q308-S311 VanDerWaalsContact O-N 3.13Å; Q308-E312 WeakPolarHBondContact O-CG 3.31Å; Q308-E312 PolarHBondContact O-N 3.36Å; Q308-Q364 VanDerWaalsContact CA-OE1 3.24Å; Q308-Q364 VanDerWaalsContact CG-CD 3.42Å; Q308-Q364 HydrophobicContact CG-CG 4.34Å; Q308-Q364 VanDerWaalsContact CG-OE1 3.31Å
309L83.8Confident83Confident5 Ų547.1 Ų47.13%0.02624%0.236CC..Hα-helixtrans-61.4-40.5-179.2-64.5170.8000112L260 L264 L276 L305 C306 E312 R313L260-L309 HydrophobicContact CD2-CD1 4.21Å; L264-L309 HydrophobicContact CD1-CD1 4.12Å; L264-L309 HydrophobicContact CD1-CD2 4.09Å; L276-L309 HydrophobicContact CD1-CB 3.9Å; L276-L309 HydrophobicContact CD2-CB 4.29Å; L276-L309 HydrophobicContact CD2-CD1 4.01Å; L305-L309 HydrophobicContact CD1-CD1 4.26Å; L305-L309 HydrophobicContact CD1-CG 4.41Å; L305-L309 HydrophobicContact CG-CD1 4.06Å; L305-L309 WeakPolarHBondContact O-CG 3.23Å; L305-L309 PolarHBondContact O-N 3.1Å; C306-L309 PolarHBondContact O-N 3.13Å; L309-E312 PolarHBondContact O-N 2.91Å; L309-R313 WeakPolarHBondContact O-CG 3.47Å; L309-R313 PolarHBondContact O-N 3.31Å
310L85.1Confident83.3Confident21 Ų2145.9 Ų45.911%0.1123%0.228CC..Hα-helixtrans-63.3-43173.7-74.3168.4000112.1V273 L276 L277 C306 Q308 R313 L314V273-L310 HydrophobicContact CB-CD2 4.23Å; V273-L310 HydrophobicContact CG1-CD2 3.82Å; V273-L310 HydrophobicContact CG2-CD2 4.27Å; L276-L310 HydrophobicContact CB-CD1 4.32Å; L276-L310 HydrophobicContact CB-CD2 3.75Å; L276-L310 HydrophobicContact CB-CG 3.9Å; L276-L310 HydrophobicContact CD1-CD2 4.09Å; L276-L310 HydrophobicContact CD1-CG 4.22Å; L277-L310 HydrophobicContact CD2-CD1 3.71Å; L277-L310 HydrophobicContact CG-CD1 4.1Å; L277-L310 HydrophobicContact CG-CD2 4.29Å; C306-L310 VanDerWaalsContact O-CB 3.24Å; C306-L310 WeakPolarHBondContact O-CB 3.25Å; C306-L310 WeakPolarHBondContact O-CD1 3.45Å; C306-L310 WeakPolarHBondContact O-CG 3.35Å; C306-L310 PolarHBondContact O-N 2.97Å; Q308-L310 VanDerWaalsContact C-N 3.33Å; Q308-L310 PolarHBondContact O-N 3.04Å; L310-R313 PolarHBondContact O-N 3.48Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 PolarHBondContact O-N 3.41Å
311S84.4Confident83.7Confident26 Ų2645.9 Ų45.918%0.18222%0.22CC..Hα-helixtrans-65.1-42.4176.2-56.20000111.5G307 Q308 R313 L314 M315G307-S311 WeakPolarHBondContact O-CB 3.29Å; G307-S311 PolarHBondContact O-N 2.97Å; G307-S311 PolarHBondContact O-OG 3.21Å; Q308-S311 PolarHBondContact O-N 3.31Å; Q308-S311 VanDerWaalsContact O-N 3.13Å; S311-R313 VanDerWaalsContact C-N 3.26Å; S311-R313 PolarHBondContact O-N 3.2Å; S311-L314 PolarHBondContact O-N 3.21Å; S311-M315 VanDerWaalsContact O-CG 3.3Å; S311-M315 WeakPolarHBondContact O-CG 3.49Å; S311-M315 PolarHBondContact O-N 3.4Å; S311-M315 VanDerWaalsContact O-N 3.12Å
312E83.7Confident83.6Confident79 Ų7944 Ų4437%0.36922%0.215SC..Hα-helixtrans-66-22.8174.4-67.7-179.9-172.600113.4Q308 L309 R316Q308-E312 WeakPolarHBondContact O-CG 3.31Å; Q308-E312 PolarHBondContact O-N 3.36Å; L309-E312 PolarHBondContact O-N 2.91Å; E312-R316 WeakPolarHBondContact O-CG 3.32Å
313R85.5Confident83.8Confident9 Ų944.7 Ų44.73%0.03422%0.219CC..Hα-helixtrans-85.6-36.9172.5-69.3-44.983106.716111.9D265 L309 L310 S311 M315 R316 G319D265-R313 IonicContact OD1-CZ 2.86Å; D265-R313 IonicContact OD1-NH1 3.29Å; D265-R313 PolarHBondContact OD1-NH1 3.42Å; L309-R313 WeakPolarHBondContact O-CG 3.47Å; L309-R313 PolarHBondContact O-N 3.31Å; L310-R313 PolarHBondContact O-N 3.48Å; S311-R313 VanDerWaalsContact C-N 3.26Å; S311-R313 PolarHBondContact O-N 3.2Å; R313-M315 VanDerWaalsContact C-N 3.31Å; R313-M315 PolarHBondContact O-N 3.28Å; R313-R316 VanDerWaalsContact NE-CZ 3.33Å; R313-R316 PolarHBondContact O-N 3.04Å; R313-G319 VanDerWaalsContact O-CA 3.26Å; R313-G319 WeakPolarHBondContact O-CA 3.48Å
314L85.3Confident83.9Confident10 Ų1041.1 Ų41.15%0.05221%0.206CC..Hα-helixtrans-60.7-39.6176.1179.864.1000112.3L310 S311 R316 V320 V323 L358 Y371 I375L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 PolarHBondContact O-N 3.41Å; S311-L314 PolarHBondContact O-N 3.21Å; L314-R316 VanDerWaalsContact C-N 3.26Å; L314-R316 PolarHBondContact O-N 2.84Å; L314-V320 HydrophobicContact CD1-CB 4.39Å; L314-V320 HydrophobicContact CD1-CG2 3.87Å; L314-V323 HydrophobicContact CB-CG2 4.49Å; L314-V323 HydrophobicContact CD1-CB 4.43Å; L314-V323 HydrophobicContact CD1-CG2 4.05Å; L314-L358 HydrophobicContact CD1-CD2 3.56Å; L314-L358 HydrophobicContact CD2-CD2 4.23Å; L314-L358 HydrophobicContact CG-CD2 4.49Å; L314-Y371 HydrophobicContact CD2-CE2 4.16Å; L314-I375 HydrophobicContact CD2-CD1 3.94Å; L314-I375 HydrophobicContact CG-CD1 3.89Å
315M83Confident84Confident56 Ų5634.8 Ų34.828%0.27618%0.182SC..THydrogen-bonded Turntrans-76.1-3.7-179.6-67.3-63.1-61.300114.7S311 R313 Y371 D374 I375S311-M315 VanDerWaalsContact O-CG 3.3Å; S311-M315 WeakPolarHBondContact O-CG 3.49Å; S311-M315 PolarHBondContact O-N 3.4Å; S311-M315 VanDerWaalsContact O-N 3.12Å; R313-M315 VanDerWaalsContact C-N 3.31Å; R313-M315 PolarHBondContact O-N 3.28Å; M315-Y371 HydrophobicContact SD-CD2 3.46Å; M315-Y371 WeakPolarHBondContact SD-CD2 3.21Å; M315-Y371 HydrophobicContact SD-CE2 3.95Å; M315-Y371 HydrophobicContact SD-CG 4.33Å; M315-D374 HydrophobicContact CE-CB 3.62Å; M315-D374 WeakPolarHBondContact CE-OD2 3.48Å; M315-I375 HydrophobicContact SD-CD1 3.62Å; M315-I375 HydrophobicContact SD-CG1 4.09Å
316R84.3Confident83.6Confident81 Ų8134.5 Ų34.531%0.30618%0.182SC..SBendtrans-81.6159.2175.1-78.5176.9173.6-174.7-3.4111D265 E312 R313 L314 N318 G319 Q378D265-R316 VanDerWaalsContact CG-NH2 3.28Å; D265-R316 IonicContact OD1-CZ 3.53Å; D265-R316 VanDerWaalsContact OD1-CZ 3.31Å; D265-R316 IonicContact OD1-NH1 2.8Å; D265-R316 PolarHBondContact OD1-NH1 3.37Å; D265-R316 IonicContact OD1-NH2 2.85Å; D265-R316 PolarHBondContact OD1-NH2 2.98Å; D265-R316 VanDerWaalsContact OD1-NH2 3.09Å; D265-R316 IonicContact OD2-CZ 3.25Å; D265-R316 IonicContact OD2-NH1 3.19Å; D265-R316 PolarHBondContact OD2-NH1 3.01Å; D265-R316 IonicContact OD2-NH2 2.71Å; D265-R316 PolarHBondContact OD2-NH2 3.11Å; E312-R316 WeakPolarHBondContact O-CG 3.32Å; R313-R316 VanDerWaalsContact NE-CZ 3.33Å; R313-R316 PolarHBondContact O-N 3.04Å; L314-R316 VanDerWaalsContact C-N 3.26Å; L314-R316 PolarHBondContact O-N 2.84Å; R316-N318 PolarHBondContact O-N 2.89Å; R316-G319 WeakPolarHBondContact O-CA 3.49Å; R316-G319 PolarHBondContact O-N 3.28Å; R316-Q378 PolarHBondContact O-NE2 3.11Å; R316-Q378 PolarHBondContact O-OE1 3.39Å; R316-Q378 VanDerWaalsContact O-OE1 3.1Å
317P80.7Confident83.4Confident113 Ų11336.6 Ų36.673%0.73419%0.192SC*.THydrogen-bonded Turntrans-56.2136.2169.225.1-35.2000110.5G319P317-G319 PolarHBondContact O-N 3.46Å; P317-G319 VanDerWaalsContact O-N 3.16Å
318N83.1Confident83Confident100 Ų10036.7 Ų36.754%0.53519%0.19SC..THydrogen-bonded Turntrans58.414.6-171.8-52.5-27.6000114.8R316 Q321 A322 Q378R316-N318 PolarHBondContact O-N 2.89Å; N318-Q321 PolarHBondContact O-N 3.06Å; N318-A322 WeakPolarHBondContact O-CB 3.26Å; N318-A322 PolarHBondContact O-N 3.08Å; N318-Q378 VanDerWaalsContact N-OE1 3.16Å
319G84.8Confident82.3Confident4 Ų435.7 Ų35.74%0.04119%0.185CC..Hα-helixtrans-64.4-40177.200000112.6R313 R316 P317 A322 V323R313-G319 VanDerWaalsContact O-CA 3.26Å; R313-G319 WeakPolarHBondContact O-CA 3.48Å; R316-G319 WeakPolarHBondContact O-CA 3.49Å; R316-G319 PolarHBondContact O-N 3.28Å; P317-G319 PolarHBondContact O-N 3.46Å; P317-G319 VanDerWaalsContact O-N 3.16Å; G319-A322 PolarHBondContact O-N 3.5Å; G319-V323 WeakPolarHBondContact O-CG2 2.94Å; G319-V323 PolarHBondContact O-N 3.39Å
320V87.4Confident80.9Confident0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-61.2-50.3174.9-178.30000110.4L314 A322 V323 V324 L358 I375 Q378 V379 L382L314-V320 HydrophobicContact CD1-CB 4.39Å; L314-V320 HydrophobicContact CD1-CG2 3.87Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 2.9Å; V320-V323 PolarHBondContact O-N 3.07Å; V320-V323 VanDerWaalsContact O-N 3.14Å; V320-V324 HydrophobicContact CG1-CG2 4.41Å; V320-V324 WeakPolarHBondContact O-CG2 3.42Å; V320-V324 PolarHBondContact O-N 2.86Å; V320-L358 HydrophobicContact CG1-CD1 3.82Å; V320-L358 HydrophobicContact CG1-CD2 3.99Å; V320-L358 HydrophobicContact CG2-CD2 4.39Å; V320-I375 HydrophobicContact CG2-CG1 4.23Å; V320-I375 HydrophobicContact CG2-CG2 4.06Å; V320-Q378 HydrophobicContact CB-CB 3.98Å; V320-Q378 HydrophobicContact CG2-CB 3.62Å; V320-Q378 HydrophobicContact CG2-CG 4.41Å; V320-Q378 VanDerWaalsContact N-OE1 3.12Å; V320-V379 HydrophobicContact CG1-CG2 4.32Å; V320-L382 HydrophobicContact CG1-CD1 3.92Å; V320-L382 HydrophobicContact CG1-CD2 4.35Å
321Q85.9Confident79Confident49 Ų4938.6 Ų38.623%0.22922%0.215CC..Hα-helixtrans-56.4-42.9176-173.4-163.8-24.300111.1N318 V323 V324 R325 L382 F385 F394N318-Q321 PolarHBondContact O-N 3.06Å; Q321-V323 VanDerWaalsContact C-N 3.34Å; Q321-V323 PolarHBondContact O-N 3.04Å; Q321-V324 PolarHBondContact O-N 2.91Å; Q321-R325 WeakPolarHBondContact O-CB 3.45Å; Q321-R325 WeakPolarHBondContact O-CG 3.45Å; Q321-R325 PolarHBondContact O-N 3.39Å; Q321-L382 HydrophobicContact CB-CD2 4.21Å; Q321-F385 HydrophobicContact CG-CE2 4.32Å; Q321-F385 VanDerWaalsContact NE2-CE2 3.3Å; Q321-F394 HydrophobicContact CG-CE1 3.87Å
322A83.6Confident76.9Confident11 Ų1140.7 Ų40.79%0.09124%0.241CC..Hα-helixtrans-63.3-38.2178.900000113Q269 P270 N318 G319 V320 G326Q269-A322 HydrophobicContact CB-CB 3.63Å; P270-A322 WeakPolarHBondContact CA-O 3.5Å; P270-A322 HydrophobicContact CG-CB 4.33Å; N318-A322 WeakPolarHBondContact O-CB 3.26Å; N318-A322 PolarHBondContact O-N 3.08Å; G319-A322 PolarHBondContact O-N 3.5Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 2.9Å; A322-G326 PolarHBondContact O-N 3.28Å
323V85.4Confident74.4Confident13 Ų1341.5 Ų41.58%0.07926%0.261CS..Hα-helixtrans-69.5-44.3176.4171.90000111.8V273 L314 G319 V320 Q321 R325 G326 I327V273-V323 HydrophobicContact CG1-CB 4.45Å; V273-V323 HydrophobicContact CG1-CG2 4.11Å; V273-V323 HydrophobicContact CG2-CG2 3.89Å; L314-V323 HydrophobicContact CB-CG2 4.49Å; L314-V323 HydrophobicContact CD1-CB 4.43Å; L314-V323 HydrophobicContact CD1-CG2 4.05Å; G319-V323 WeakPolarHBondContact O-CG2 2.94Å; G319-V323 PolarHBondContact O-N 3.39Å; V320-V323 PolarHBondContact O-N 3.07Å; V320-V323 VanDerWaalsContact O-N 3.14Å; Q321-V323 VanDerWaalsContact C-N 3.34Å; Q321-V323 PolarHBondContact O-N 3.04Å; V323-R325 PolarHBondContact O-N 3Å; V323-G326 PolarHBondContact O-N 2.97Å; V323-I327 HydrophobicContact CG1-CD1 3.79Å; V323-I327 WeakPolarHBondContact O-CG1 3.44Å; V323-I327 PolarHBondContact O-N 3.18Å; V323-I327 VanDerWaalsContact O-N 3.14Å
324V83.8Confident71.7Confident0 Ų043.7 Ų43.70%029%0.287CS..Hα-helixtrans-58.9-48.5176177.50000110.3V320 Q321 I327 L328 I354 L382 F394 V397V320-V324 HydrophobicContact CG1-CG2 4.41Å; V320-V324 WeakPolarHBondContact O-CG2 3.42Å; V320-V324 PolarHBondContact O-N 2.86Å; Q321-V324 PolarHBondContact O-N 2.91Å; V324-I327 PolarHBondContact O-N 3.44Å; V324-L328 HydrophobicContact CG1-CD1 3.6Å; V324-L328 HydrophobicContact CG1-CG 4.41Å; V324-L328 WeakPolarHBondContact O-CB 3.26Å; V324-L328 WeakPolarHBondContact O-CG 3.27Å; V324-L328 PolarHBondContact O-N 3.33Å; V324-I354 HydrophobicContact CG2-CG2 4.07Å; V324-L382 HydrophobicContact CG2-CD1 4.39Å; V324-F394 HydrophobicContact CB-CE1 3.8Å; V324-F394 HydrophobicContact CB-CZ 3.9Å; V324-F394 HydrophobicContact CG1-CD1 3.98Å; V324-F394 HydrophobicContact CG1-CD2 4.16Å; V324-F394 HydrophobicContact CG1-CE1 3.52Å; V324-F394 HydrophobicContact CG1-CE2 3.76Å; V324-F394 HydrophobicContact CG1-CG 4.25Å; V324-F394 HydrophobicContact CG1-CZ 3.38Å; V324-V397 HydrophobicContact CG1-CG2 4.33Å; V324-V397 HydrophobicContact CG2-CG1 4.01Å
325R81.6Confident69Low43 Ų4349.1 Ų49.116%0.16233%0.333CS..Hα-helixtrans-58-50.8174.2-74-169.3166.4-132.2-16.6112.2Y268 P270 Q321 V323 I327 L328 E329 F385 F394Y268-R325 PolarHBondContact OH-NH1 3.13Å; Y268-R325 VanDerWaalsContact OH-NH1 3.12Å; P270-R325 HydrophobicContact CB-CB 3.72Å; P270-R325 HydrophobicContact CG-CB 3.54Å; P270-R325 HydrophobicContact CG-CG 4.38Å; Q321-R325 WeakPolarHBondContact O-CB 3.45Å; Q321-R325 WeakPolarHBondContact O-CG 3.45Å; Q321-R325 PolarHBondContact O-N 3.39Å; V323-R325 PolarHBondContact O-N 3Å; R325-I327 PolarHBondContact O-N 3.34Å; R325-I327 VanDerWaalsContact O-N 3.17Å; R325-L328 PolarHBondContact O-N 2.94Å; R325-E329 HydrophobicContact CB-CG 4.31Å; R325-E329 WeakPolarHBondContact CB-OE1 3.36Å; R325-E329 VanDerWaalsContact CD-OE1 3.22Å; R325-E329 WeakPolarHBondContact CD-OE1 3.41Å; R325-E329 VanDerWaalsContact CG-OE1 3.23Å; R325-E329 WeakPolarHBondContact CG-OE1 3.45Å; R325-E329 IonicContact CZ-OE1 3.15Å; R325-E329 IonicContact NE-OE1 3.3Å; R325-E329 IonicContact NH1-OE1 2.81Å; R325-E329 WeakPolarHBondContact O-CB 3.41Å; R325-E329 WeakPolarHBondContact O-CG 3.41Å; R325-E329 PolarHBondContact O-N 3.18Å; R325-F385 VanDerWaalsContact NH2-CE1 3.25Å; R325-F394 HydrophobicContact CG-CE1 4.35Å; R325-F394 HydrophobicContact CG-CE2 4.45Å; R325-F394 HydrophobicContact CG-CZ 3.56Å
326G75.6Confident66.5Low5 Ų550.7 Ų50.75%0.05236%0.355CS..Hα-helixtrans-60.4-29.7-176.100000114.2P270 A322 V323P270-G326 WeakPolarHBondContact O-CA 3.43Å; A322-G326 PolarHBondContact O-N 3.28Å; V323-G326 PolarHBondContact O-N 2.97Å
327I79.1Confident64.2Low43 Ų4350.9 Ų50.922%0.22138%0.382CS..Hα-helixtrans-87.7-37.8179-64.8167.9000112L277 V323 V324 R325 I354L277-I327 HydrophobicContact CD1-CD1 4.03Å; L277-I327 HydrophobicContact CD1-CG1 3.58Å; V323-I327 HydrophobicContact CG1-CD1 3.79Å; V323-I327 WeakPolarHBondContact O-CG1 3.44Å; V323-I327 PolarHBondContact O-N 3.18Å; V323-I327 VanDerWaalsContact O-N 3.14Å; V324-I327 PolarHBondContact O-N 3.44Å; R325-I327 PolarHBondContact O-N 3.34Å; R325-I327 VanDerWaalsContact O-N 3.17Å; I327-I354 HydrophobicContact CB-CD1 4.01Å; I327-I354 HydrophobicContact CB-CG1 4.34Å; I327-I354 HydrophobicContact CD1-CD1 4.39Å; I327-I354 HydrophobicContact CD1-CG1 3.83Å; I327-I354 HydrophobicContact CG2-CD1 3.79Å; I327-I354 HydrophobicContact CG2-CG1 4.01Å
328L73.1Confident62Low15 Ų1548.1 Ų48.18%0.07937%0.374CS..Hα-helixtrans-83.4-48.2-178-63.5176.9000112.7V324 R325 G330 A331 K350 I354 Q393 F394V324-L328 HydrophobicContact CG1-CD1 3.6Å; V324-L328 HydrophobicContact CG1-CG 4.41Å; V324-L328 WeakPolarHBondContact O-CB 3.26Å; V324-L328 WeakPolarHBondContact O-CG 3.27Å; V324-L328 PolarHBondContact O-N 3.33Å; R325-L328 PolarHBondContact O-N 2.94Å; L328-G330 PolarHBondContact O-N 2.81Å; L328-G330 VanDerWaalsContact O-N 3.15Å; L328-A331 PolarHBondContact O-N 2.83Å; L328-K350 HydrophobicContact CD2-CB 4.05Å; L328-K350 HydrophobicContact CD2-CD 4.33Å; L328-I354 HydrophobicContact CD2-CD1 4.22Å; L328-I354 HydrophobicContact CG-CD1 4.18Å; L328-Q393 HydrophobicContact CD1-CB 3.76Å; L328-F394 HydrophobicContact CD1-CE2 4.48Å
329E69.4Low59.8Low67 Ų6749.3 Ų49.331%0.31339%0.39SS..THydrogen-bonded Turntrans-64.9-18.2177.9-59.8173.4-179.300112Y268 R325 A331Y268-E329 PolarHBondContact OH-OE2 2.98Å; R325-E329 HydrophobicContact CB-CG 4.31Å; R325-E329 WeakPolarHBondContact CB-OE1 3.36Å; R325-E329 VanDerWaalsContact CD-OE1 3.22Å; R325-E329 WeakPolarHBondContact CD-OE1 3.41Å; R325-E329 VanDerWaalsContact CG-OE1 3.23Å; R325-E329 WeakPolarHBondContact CG-OE1 3.45Å; R325-E329 IonicContact CZ-OE1 3.15Å; R325-E329 IonicContact NE-OE1 3.3Å; R325-E329 IonicContact NH1-OE1 2.81Å; R325-E329 WeakPolarHBondContact O-CB 3.41Å; R325-E329 WeakPolarHBondContact O-CG 3.41Å; R325-E329 PolarHBondContact O-N 3.18Å; E329-A331 VanDerWaalsContact C-N 3.26Å; E329-A331 PolarHBondContact O-N 2.92Å
330G54.4Low57.5Low26 Ų2654.2 Ų54.227%0.26842%0.416SS..THydrogen-bonded Turntrans-67.3-19.4179.900000115.2L328 G332L328-G330 PolarHBondContact O-N 2.81Å; L328-G330 VanDerWaalsContact O-N 3.15Å; G330-G332 PolarHBondContact O-N 3.47Å; G330-G332 VanDerWaalsContact O-N 3.14Å
331A44.9Very low55.1Low61 Ų6158 Ų5850%0.50445%0.446SS..THydrogen-bonded Turntrans-89.363.9-174.900000113.2L328 E329 K350L328-A331 PolarHBondContact O-N 2.83Å; E329-A331 VanDerWaalsContact C-N 3.26Å; E329-A331 PolarHBondContact O-N 2.92Å; A331-K350 VanDerWaalsContact CB-NZ 3.33Å
332G39.6Very low53Low69 Ų6963.6 Ų63.671%0.71147%0.473SS*.THydrogen-bonded Turntrans71.535.5159.400000116.8G330 G334G330-G332 PolarHBondContact O-N 3.47Å; G330-G332 VanDerWaalsContact O-N 3.14Å; G332-G334 PolarHBondContact O-N 2.96Å
333A31.7Very low51.3Low96 Ų9665.4 Ų65.479%0.79349%0.488SS*.  trans-69.855.5171.500000113.6
334G29.5Very low49.5Very low56 Ų5669.4 Ų69.458%0.57751%0.512SS*.SBendtrans-81.6165.2157.100000110.3G332 A336G332-G334 PolarHBondContact O-N 2.96Å; G334-A336 PolarHBondContact O-N 2.7Å
335A28.8Very low47.7Very low123 Ų12371.2 Ų71.2100%1.01753%0.527SS*.SBendtrans-7024.6-171.100000116.4
336A29.7Very low46.3Very low89 Ų8971.2 Ų71.274%0.73654%0.537SS*.  trans-113.389.1173.400000109.3G334 G338G334-A336 PolarHBondContact O-N 2.7Å; A336-G338 PolarHBondContact O-N 3.08Å
337G36.3Very low45.8Very low85 Ų8572.5 Ų72.588%0.87654%0.542SS*.  trans-67.798.917200000110.8
338G33.8Very low45.4Very low56 Ų5675.3 Ų75.358%0.57755%0.55SS**  trans-76.2118.416800000110.1A336 D340A336-G338 PolarHBondContact O-N 3.08Å; G338-D340 PolarHBondContact O-N 2.72Å
339S37.3Very low45.6Very low124 Ų12480.8 Ų80.887%0.86757%0.573SS**  trans-80.534.8-177.859.30000113.5
340D36Very low46Very low108 Ų10880.1 Ų80.158%0.57857%0.569SS**  trans-95.5129.8-169.3-68.4-37.8000112.4G338 E342 A343G338-D340 PolarHBondContact O-N 2.72Å; D340-E342 PolarHBondContact O-N 3.05Å; D340-E342 VanDerWaalsContact O-N 3.09Å; D340-A343 WeakPolarHBondContact O-CB 3.39Å; D340-A343 PolarHBondContact O-N 3.22Å
341A37.4Very low47.3Very low78 Ų7879 Ų7965%0.64556%0.557SS**Hα-helixtrans-60.8-18.6177.400000113.3T344 A345A341-T344 PolarHBondContact O-OG1 2.99Å; A341-A345 WeakPolarHBondContact O-CB 3.39Å; A341-A345 PolarHBondContact O-N 2.83Å
342E41.8Very low49Very low168 Ų16878.1 Ų78.179%0.78554%0.544SS*.Hα-helixtrans-70.8-30.3172.6-72.8-162.4132.500113.3D340 A345 A346D340-E342 PolarHBondContact O-N 3.05Å; D340-E342 VanDerWaalsContact O-N 3.09Å; E342-A345 PolarHBondContact O-N 3.13Å; E342-A346 WeakPolarHBondContact O-CB 3.33Å; E342-A346 PolarHBondContact O-N 3.27Å
343A48.6Very low50.9Low49 Ų4979.5 Ų79.541%0.40554%0.535SS..Hα-helixtrans-66.6-47.7174.800000110.3D340 A345 A346 D347D340-A343 WeakPolarHBondContact O-CB 3.39Å; D340-A343 PolarHBondContact O-N 3.22Å; A343-A345 VanDerWaalsContact C-N 3.29Å; A343-A345 PolarHBondContact O-N 3.1Å; A343-A346 PolarHBondContact O-N 3.32Å; A343-D347 VanDerWaalsContact O-CG 3.27Å; A343-D347 PolarHBondContact O-N 3.05Å
344T47.8Very low53.4Low96 Ų9675 Ų7559%0.58950%0.497SS*.Hα-helixtrans-67-29174.756.60000112.6A341 W348A341-T344 PolarHBondContact O-OG1 2.99Å; T344-W348 PolarHBondContact O-N 3.4Å
345A45Very low56Low39 Ų3972.3 Ų72.332%0.32247%0.47SS..Hα-helixtrans-73-31.917200000113.9A341 E342 A343 W348A341-A345 WeakPolarHBondContact O-CB 3.39Å; A341-A345 PolarHBondContact O-N 2.83Å; E342-A345 PolarHBondContact O-N 3.13Å; A343-A345 VanDerWaalsContact C-N 3.29Å; A343-A345 PolarHBondContact O-N 3.1Å; A345-W348 VanDerWaalsContact CA-CD1 3.5Å; A345-W348 PolarHBondContact O-NE1 2.87Å; A345-W348 VanDerWaalsContact O-NE1 3.12Å
346A53.6Low58.6Low43 Ų4369.8 Ų69.836%0.35544%0.441SS..Hα-helixtrans-71.8-36.3172.500000111.3E342 A343 K349 K350E342-A346 WeakPolarHBondContact O-CB 3.33Å; E342-A346 PolarHBondContact O-N 3.27Å; A343-A346 PolarHBondContact O-N 3.32Å; A346-K349 PolarHBondContact O-N 3.37Å; A346-K350 WeakPolarHBondContact O-CG 3.44Å; A346-K350 PolarHBondContact O-N 3.25Å
347D64.9Low61.1Low31 Ų3169 Ų6917%0.16642%0.424CS..Hα-helixtrans-67.2-35.1-177.2-72.6-15.5000113.6A343 K349 K350 C351 Q393A343-D347 VanDerWaalsContact O-CG 3.27Å; A343-D347 PolarHBondContact O-N 3.05Å; D347-K349 PolarHBondContact O-N 3.38Å; D347-K350 WeakPolarHBondContact O-CB 3.45Å; D347-K350 PolarHBondContact O-N 3.22Å; D347-K350 IonicContact OD1-NZ 3.69Å; D347-K350 PolarHBondContact OD1-NZ 2.9Å; D347-C351 PolarHBondContact O-N 2.96Å; D347-C351 PolarHBondContact O-SG 3.36Å; D347-Q393 PolarHBondContact OD2-NE2 3.33Å
348W70.7Confident63.4Low103 Ų10365.1 Ų65.139%0.3938%0.383SS..Hα-helixtrans-67.1-38.3176.972.5-107.5000113.3T344 A345 K350 C351 D352T344-W348 PolarHBondContact O-N 3.4Å; A345-W348 VanDerWaalsContact CA-CD1 3.5Å; A345-W348 PolarHBondContact O-NE1 2.87Å; A345-W348 VanDerWaalsContact O-NE1 3.12Å; W348-K350 VanDerWaalsContact C-N 3.26Å; W348-K350 PolarHBondContact O-N 3.46Å; W348-C351 WeakPolarHBondContact O-CB 3.47Å; W348-C351 PolarHBondContact O-N 3.05Å; W348-C351 VanDerWaalsContact O-N 3.08Å; W348-D352 WeakPolarHBondContact CZ3-OD2 3.18Å; W348-D352 PolarHBondContact O-N 2.92Å
349K76.1Confident65.7Low130 Ų13062.5 Ų62.557%0.56536%0.356SS*.Hα-helixtrans-65.3-31.8175.4-66.4180-177.31740111.8A346 D347 L353A346-K349 PolarHBondContact O-N 3.37Å; D347-K349 PolarHBondContact O-N 3.38Å; K349-L353 WeakPolarHBondContact O-CB 3.46Å; K349-L353 PolarHBondContact O-N 3.03Å; K349-L353 VanDerWaalsContact O-N 3.08Å
350K78.9Confident67.9Low53 Ų5359.5 Ų59.523%0.2334%0.335CS..Hα-helixtrans-66.4-45169.8-61.6169.3-158.1162.90110.5L328 A331 A346 D347 W348 D352 L353 I354L328-K350 HydrophobicContact CD2-CB 4.05Å; L328-K350 HydrophobicContact CD2-CD 4.33Å; A331-K350 VanDerWaalsContact CB-NZ 3.33Å; A346-K350 WeakPolarHBondContact O-CG 3.44Å; A346-K350 PolarHBondContact O-N 3.25Å; D347-K350 WeakPolarHBondContact O-CB 3.45Å; D347-K350 PolarHBondContact O-N 3.22Å; D347-K350 IonicContact OD1-NZ 3.69Å; D347-K350 PolarHBondContact OD1-NZ 2.9Å; W348-K350 VanDerWaalsContact C-N 3.26Å; W348-K350 PolarHBondContact O-N 3.46Å; K350-D352 PolarHBondContact O-N 3.28Å; K350-L353 PolarHBondContact O-N 3.07Å; K350-I354 WeakPolarHBondContact O-CD1 3.2Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 3.3Å
351C80.3Confident69.8Low2 Ų255.7 Ų55.71%0.01432%0.317CS..Hα-helixtrans-58.6-45.6178.1-63.60000111.9D347 W348 I354 A355 R396 V397D347-C351 PolarHBondContact O-N 2.96Å; D347-C351 PolarHBondContact O-SG 3.36Å; W348-C351 WeakPolarHBondContact O-CB 3.47Å; W348-C351 PolarHBondContact O-N 3.05Å; W348-C351 VanDerWaalsContact O-N 3.08Å; C351-I354 PolarHBondContact O-N 2.7Å; C351-A355 WeakPolarHBondContact O-CB 3.46Å; C351-A355 PolarHBondContact O-N 3.27Å; C351-R396 HydrophobicContact CB-CG 4.22Å; C351-V397 HydrophobicContact CB-CG2 3.68Å
352D81.1Confident71.6Confident42 Ų4253.3 Ų53.323%0.22530%0.295CS..Hα-helixtrans-70.7-32.4-179.7-61.2-8.4000112.1W348 K350 A355 T356 R396 T400W348-D352 WeakPolarHBondContact CZ3-OD2 3.18Å; W348-D352 PolarHBondContact O-N 2.92Å; K350-D352 PolarHBondContact O-N 3.28Å; D352-A355 PolarHBondContact O-N 3.48Å; D352-T356 PolarHBondContact O-N 2.9Å; D352-T356 PolarHBondContact O-OG1 3.33Å; D352-R396 IonicContact OD1-NE 3.58Å; D352-R396 IonicContact OD1-NH2 2.86Å; D352-R396 IonicContact OD2-NH2 3.74Å; D352-T400 HydrophobicContact CB-CG2 4.43Å; D352-T400 PolarHBondContact OD1-OG1 2.81Å
353L80.1Confident72.8Confident98 Ų9854.9 Ų54.951%0.51330%0.302SS..Hα-helixtrans-66.1-43.3170.5-18063.5000111.5K349 K350 A355 T356 I357K349-L353 WeakPolarHBondContact O-CB 3.46Å; K349-L353 PolarHBondContact O-N 3.03Å; K349-L353 VanDerWaalsContact O-N 3.08Å; K350-L353 PolarHBondContact O-N 3.07Å; L353-A355 VanDerWaalsContact C-N 3.35Å; L353-T356 PolarHBondContact O-N 2.93Å; L353-I357 HydrophobicContact CD1-CD1 4.44Å; L353-I357 HydrophobicContact CG-CD1 4.13Å; L353-I357 VanDerWaalsContact O-CG1 3.3Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 2.98Å
354I83.4Confident73.5Confident2 Ų256.8 Ų56.81%0.0130%0.303CS..Hα-helixtrans-61.2-45.9174.6-64159.6000109.7V324 I327 L328 K350 C351 T356 I357 L358 V397V324-I354 HydrophobicContact CG2-CG2 4.07Å; I327-I354 HydrophobicContact CB-CD1 4.01Å; I327-I354 HydrophobicContact CB-CG1 4.34Å; I327-I354 HydrophobicContact CD1-CD1 4.39Å; I327-I354 HydrophobicContact CD1-CG1 3.83Å; I327-I354 HydrophobicContact CG2-CD1 3.79Å; I327-I354 HydrophobicContact CG2-CG1 4.01Å; L328-I354 HydrophobicContact CD2-CD1 4.22Å; L328-I354 HydrophobicContact CG-CD1 4.18Å; K350-I354 WeakPolarHBondContact O-CD1 3.2Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 3.3Å; C351-I354 PolarHBondContact O-N 2.7Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 3.14Å; I354-I357 CarbonylContact O-C 3.58Å; I354-I357 WeakPolarHBondContact O-CA 3.36Å; I354-I357 WeakPolarHBondContact O-CB 3.49Å; I354-I357 PolarHBondContact O-N 2.99Å; I354-L358 HydrophobicContact CG2-CD1 3.9Å; I354-L358 HydrophobicContact CG2-CG 4.16Å; I354-L358 WeakPolarHBondContact O-CG 3.41Å; I354-L358 PolarHBondContact O-N 3.19Å; I354-V397 HydrophobicContact CB-CG1 4.33Å; I354-V397 HydrophobicContact CB-CG2 4.43Å; I354-V397 HydrophobicContact CD1-CG2 4.27Å; I354-V397 HydrophobicContact CG2-CG1 3.74Å; I354-V397 HydrophobicContact CG2-CG2 4.49Å
355A84Confident74.3Confident0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-59.6-40.8177.300000112.6C351 D352 L353 I357 L358 A359 T400 T401C351-A355 WeakPolarHBondContact O-CB 3.46Å; C351-A355 PolarHBondContact O-N 3.27Å; D352-A355 PolarHBondContact O-N 3.48Å; L353-A355 VanDerWaalsContact C-N 3.35Å; A355-I357 VanDerWaalsContact C-N 3.33Å; A355-I357 PolarHBondContact O-N 3.39Å; A355-L358 PolarHBondContact O-N 2.94Å; A355-A359 VanDerWaalsContact O-CB 3.32Å; A355-A359 WeakPolarHBondContact O-CB 3.39Å; A355-A359 PolarHBondContact O-N 3Å; A355-T400 HydrophobicContact CB-CG2 3.54Å; A355-T401 WeakPolarHBondContact CA-OG1 3.33Å; A355-T401 WeakPolarHBondContact CB-OG1 3.34Å
356T83.4Confident75.2Confident69 Ų6960.8 Ų60.842%0.42332%0.317SS..Hα-helixtrans-62-38.8172-52.20000112D352 L353 I354 S360D352-T356 PolarHBondContact O-N 2.9Å; D352-T356 PolarHBondContact O-OG1 3.33Å; L353-T356 PolarHBondContact O-N 2.93Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 3.14Å; T356-S360 VanDerWaalsContact O-CB 3.31Å; T356-S360 WeakPolarHBondContact O-CB 3.41Å; T356-S360 PolarHBondContact O-N 3.18Å; T356-S360 PolarHBondContact O-OG 3.32Å
357I82.9Confident76.4Confident73 Ų7361 Ų6137%0.37432%0.316SS..Hα-helixtrans-67.9-40.8176.7-68.6162.9000111.3L353 I354 A355 S360L353-I357 HydrophobicContact CD1-CD1 4.44Å; L353-I357 HydrophobicContact CG-CD1 4.13Å; L353-I357 VanDerWaalsContact O-CG1 3.3Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 2.98Å; I354-I357 CarbonylContact O-C 3.58Å; I354-I357 WeakPolarHBondContact O-CA 3.36Å; I354-I357 WeakPolarHBondContact O-CB 3.49Å; I354-I357 PolarHBondContact O-N 2.99Å; A355-I357 VanDerWaalsContact C-N 3.33Å; A355-I357 PolarHBondContact O-N 3.39Å; I357-S360 PolarHBondContact O-N 3.4Å; I357-S360 PolarHBondContact O-OG 2.94Å
358L84.1Confident77Confident3 Ų361.8 Ų61.82%0.01632%0.322CS..Hα-helixtrans-71.6-34.3178.4-65.3176.3000112.6L314 V320 I354 A355 Y371 V397 T401L314-L358 HydrophobicContact CD1-CD2 3.56Å; L314-L358 HydrophobicContact CD2-CD2 4.23Å; L314-L358 HydrophobicContact CG-CD2 4.49Å; V320-L358 HydrophobicContact CG1-CD1 3.82Å; V320-L358 HydrophobicContact CG1-CD2 3.99Å; V320-L358 HydrophobicContact CG2-CD2 4.39Å; I354-L358 HydrophobicContact CG2-CD1 3.9Å; I354-L358 HydrophobicContact CG2-CG 4.16Å; I354-L358 WeakPolarHBondContact O-CG 3.41Å; I354-L358 PolarHBondContact O-N 3.19Å; A355-L358 PolarHBondContact O-N 2.94Å; L358-Y371 WeakPolarHBondContact O-CE1 3.25Å; L358-Y371 PolarHBondContact O-OH 3.06Å; L358-V397 HydrophobicContact CD1-CG1 3.94Å; L358-T401 HydrophobicContact CB-CG2 3.65Å; L358-T401 HydrophobicContact CD1-CG2 4.26Å
359A81.9Confident77.5Confident1 Ų161.5 Ų61.51%0.00833%0.326CS..Hα-helixtrans-73.3-27.6173.800000112.7A355 C361 Y372 T404A355-A359 VanDerWaalsContact O-CB 3.32Å; A355-A359 WeakPolarHBondContact O-CB 3.39Å; A355-A359 PolarHBondContact O-N 3Å; A359-C361 PolarHBondContact O-N 3.34Å; A359-Y372 PolarHBondContact O-OH 2.89Å; A359-T404 HydrophobicContact CB-CG2 3.57Å
360S82.8Confident77.8Confident61 Ų6157.2 Ų57.243%0.42731%0.312SS..SBendtrans-89.497.6-177.154.30000113.3T356 I357 P362T356-S360 VanDerWaalsContact O-CB 3.31Å; T356-S360 WeakPolarHBondContact O-CB 3.41Å; T356-S360 PolarHBondContact O-N 3.18Å; T356-S360 PolarHBondContact O-OG 3.32Å; I357-S360 PolarHBondContact O-N 3.4Å; I357-S360 PolarHBondContact O-OG 2.94Å; S360-P362 WeakPolarHBondContact O-CD 3.3Å
361C76.7Confident78.1Confident28 Ų2854.8 Ų54.819%0.18930%0.301CS..  trans-48.4119.4174.6-173.90000113.5A359 S365 P368 Y371A359-C361 PolarHBondContact O-N 3.34Å; C361-S365 PolarHBondContact SG-OG 3.17Å; C361-P368 HydrophobicContact CB-CB 4.43Å; C361-P368 VanDerWaalsContact SG-CA 3.58Å; C361-Y371 HydrophobicContact CB-CD1 4.18Å; C361-Y371 HydrophobicContact CB-CE1 4.48Å
362P75.5Confident78.3Confident28 Ų2854.8 Ų54.818%0.18230%0.301CS..  trans-62.9142.1179.6-24.333.8000113.2S360 Q364 S365 Y371S360-P362 WeakPolarHBondContact O-CD 3.3Å; P362-Q364 PolarHBondContact O-N 3.34Å; P362-S365 PolarHBondContact O-N 3.42Å; P362-S365 VanDerWaalsContact O-N 3.11Å; P362-S365 PolarHBondContact O-OG 3.27Å; P362-Y371 VanDerWaalsContact CD-CD2 3.47Å; P362-Y371 VanDerWaalsContact CD-CZ 3.49Å; P362-Y371 HydrophobicContact CG-CD2 4.23Å; P362-Y371 HydrophobicContact CG-CE2 3.67Å
363Q66.4Low78.5Confident201 Ų20159.4 Ų59.494%0.93932%0.315SS*.THydrogen-bonded Turntrans-59.5-8.3177-65.9-177.7-17.200115
364Q63.8Low78.7Confident90 Ų9058.3 Ų58.342%0.42131%0.31SS..THydrogen-bonded Turntrans-103.6-7.4-174.8-64.31555.500112.4Q308 P362Q308-Q364 VanDerWaalsContact CA-OE1 3.24Å; Q308-Q364 VanDerWaalsContact CG-CD 3.42Å; Q308-Q364 HydrophobicContact CG-CG 4.34Å; Q308-Q364 VanDerWaalsContact CG-OE1 3.31Å; P362-Q364 PolarHBondContact O-N 3.34Å
365S64.1Low78.9Confident37 Ų3758.3 Ų58.326%0.25931%0.31SS..SBendtrans-74142.2172.760.90000110.6C361 P362C361-S365 PolarHBondContact SG-OG 3.17Å; P362-S365 PolarHBondContact O-N 3.42Å; P362-S365 VanDerWaalsContact O-N 3.11Å; P362-S365 PolarHBondContact O-OG 3.27Å
366L65.2Low79Confident182 Ų18258.5 Ų58.595%0.95331%0.311SS*.SBendtrans-70-35.2-179.7-70.2165000112
367S78.8Confident79.2Confident47 Ų4758.2 Ų58.233%0.32931%0.311SS..  trans-150.8149.6168.7760000111.5E369 S370 Y371S367-E369 PolarHBondContact O-N 2.74Å; S367-S370 PolarHBondContact N-OG 3.02Å; S367-S370 PolarHBondContact O-N 3.38Å; S367-S370 PolarHBondContact O-OG 3.32Å; S367-S370 PolarHBondContact OG-N 2.93Å; S367-S370 PolarHBondContact OG-OG 3.36Å; S367-Y371 PolarHBondContact O-N 3.46Å
368P77.1Confident79.5Confident47 Ų4755.6 Ų55.631%0.30530%0.297SS..Hα-helixtrans-61.2-28.4174.1-22.633.7000113.6C361 Y371 Y372 R409C361-P368 HydrophobicContact CB-CB 4.43Å; C361-P368 VanDerWaalsContact SG-CA 3.58Å; P368-Y371 WeakPolarHBondContact O-CB 3.5Å; P368-Y371 PolarHBondContact O-N 2.82Å; P368-Y372 HydrophobicContact CB-CD2 4.42Å; P368-Y372 HydrophobicContact CB-CE2 3.99Å; P368-Y372 WeakPolarHBondContact O-CD2 3.44Å; P368-Y372 PolarHBondContact O-N 3.37Å; P368-R409 VanDerWaalsContact CB-NH1 3.28Å
369E81.4Confident79.7Confident98 Ų9855.6 Ų55.646%0.45830%0.297SS..Hα-helixtrans-68.5-36.6176.9-64.8-169.9-176.500113S367 Y371 R373 L412S367-E369 PolarHBondContact O-N 2.74Å; E369-Y371 VanDerWaalsContact C-N 3.33Å; E369-R373 WeakPolarHBondContact O-CB 3.23Å; E369-R373 PolarHBondContact O-N 3.23Å; E369-R373 VanDerWaalsContact O-N 3.13Å; E369-L412 HydrophobicContact CG-CD2 4.08Å
370S81.8Confident79.9Confident39 Ų3956.5 Ų56.527%0.27330%0.302SS..Hα-helixtrans-64.5-40.2171.8590000111.6S367 R373 D374S367-S370 PolarHBondContact N-OG 3.02Å; S367-S370 PolarHBondContact O-N 3.38Å; S367-S370 PolarHBondContact O-OG 3.32Å; S367-S370 PolarHBondContact OG-N 2.93Å; S367-S370 PolarHBondContact OG-OG 3.36Å; S370-R373 PolarHBondContact O-N 3.44Å; S370-D374 PolarHBondContact O-N 3.46Å
371Y85.7Confident80.1Confident2 Ų258.1 Ų58.11%0.00831%0.305CS..Hα-helixtrans-61.5-52.6178.9177.6-97.7000112.3L314 M315 L358 C361 P362 S367 P368 E369 R373 D374 I375L314-Y371 HydrophobicContact CD2-CE2 4.16Å; M315-Y371 HydrophobicContact SD-CD2 3.46Å; M315-Y371 WeakPolarHBondContact SD-CD2 3.21Å; M315-Y371 HydrophobicContact SD-CE2 3.95Å; M315-Y371 HydrophobicContact SD-CG 4.33Å; L358-Y371 WeakPolarHBondContact O-CE1 3.25Å; L358-Y371 PolarHBondContact O-OH 3.06Å; C361-Y371 HydrophobicContact CB-CD1 4.18Å; C361-Y371 HydrophobicContact CB-CE1 4.48Å; P362-Y371 VanDerWaalsContact CD-CD2 3.47Å; P362-Y371 VanDerWaalsContact CD-CZ 3.49Å; P362-Y371 HydrophobicContact CG-CD2 4.23Å; P362-Y371 HydrophobicContact CG-CE2 3.67Å; S367-Y371 PolarHBondContact O-N 3.46Å; P368-Y371 WeakPolarHBondContact O-CB 3.5Å; P368-Y371 PolarHBondContact O-N 2.82Å; E369-Y371 VanDerWaalsContact C-N 3.33Å; Y371-R373 VanDerWaalsContact C-N 3.35Å; Y371-R373 PolarHBondContact O-N 3.34Å; Y371-D374 PolarHBondContact O-N 3.21Å; Y371-I375 HydrophobicContact CD1-CD1 4.26Å; Y371-I375 HydrophobicContact CD2-CD1 3.63Å; Y371-I375 HydrophobicContact CE1-CD1 3.83Å; Y371-I375 HydrophobicContact CE2-CD1 3.11Å; Y371-I375 HydrophobicContact CG-CD1 4.17Å; Y371-I375 PolarHBondContact O-N 3.33Å
372Y84.3Confident80.5Confident2 Ų257 Ų571%0.00830%0.297CS..Hα-helixtrans-71-27.8-179.1-61.3-58.1000113.4A359 P368 D374 I375 C376 L405 R409 L412A359-Y372 PolarHBondContact O-OH 2.89Å; P368-Y372 HydrophobicContact CB-CD2 4.42Å; P368-Y372 HydrophobicContact CB-CE2 3.99Å; P368-Y372 WeakPolarHBondContact O-CD2 3.44Å; P368-Y372 PolarHBondContact O-N 3.37Å; Y372-D374 VanDerWaalsContact C-N 3.28Å; Y372-D374 PolarHBondContact O-N 3.11Å; Y372-I375 PolarHBondContact O-N 3.18Å; Y372-C376 WeakPolarHBondContact O-CB 3.35Å; Y372-C376 PolarHBondContact O-N 3.34Å; Y372-C376 PolarHBondContact O-SG 3.26Å; Y372-L405 HydrophobicContact CD1-CD1 3.83Å; Y372-L405 HydrophobicContact CD1-CD2 4.05Å; Y372-L405 HydrophobicContact CE1-CD1 3.32Å; Y372-L405 HydrophobicContact CE1-CD2 4.37Å; Y372-L405 HydrophobicContact CE2-CD1 4.3Å; Y372-R409 WeakPolarHBondContact OH-CD 3.5Å; Y372-R409 PolarHBondContact OH-NE 3Å; Y372-L412 HydrophobicContact CD2-CB 4.47Å; Y372-L412 HydrophobicContact CD2-CD1 3.71Å; Y372-L412 HydrophobicContact CE2-CD1 3.93Å
373R85.4Confident80.9Confident140 Ų14056.1 Ų56.153%0.52829%0.291SS..Hα-helixtrans-57.9-41.5174.5-177.3-176.2-59-179.12.9112.4E369 S370 Y371 P377 Y416E369-R373 WeakPolarHBondContact O-CB 3.23Å; E369-R373 PolarHBondContact O-N 3.23Å; E369-R373 VanDerWaalsContact O-N 3.13Å; S370-R373 PolarHBondContact O-N 3.44Å; Y371-R373 VanDerWaalsContact C-N 3.35Å; Y371-R373 PolarHBondContact O-N 3.34Å; R373-P377 WeakPolarHBondContact O-CD 3.19Å; R373-P377 WeakPolarHBondContact O-CG 3.45Å; R373-Y416 HydrophobicContact CB-CE1 4.06Å; R373-Y416 HydrophobicContact CG-CE1 4.2Å
374D83.4Confident81.7Confident74 Ų7449.5 Ų49.540%0.39626%0.26SS..Hα-helixtrans-89.3-20.7-174.1-56.3-23.1000112.5M315 S370 Y371 Y372 Q378M315-D374 HydrophobicContact CE-CB 3.62Å; M315-D374 WeakPolarHBondContact CE-OD2 3.48Å; S370-D374 PolarHBondContact O-N 3.46Å; Y371-D374 PolarHBondContact O-N 3.21Å; Y372-D374 VanDerWaalsContact C-N 3.28Å; Y372-D374 PolarHBondContact O-N 3.11Å; D374-Q378 PolarHBondContact O-NE2 2.83Å
375I87.1Confident82.5Confident3 Ų347.5 Ų47.52%0.01525%0.25CC..Hα-helixtrans-99.8-37.7-176.9-75.2169.5000113.4L314 M315 V320 Y371 Y372 Q378 V379L314-I375 HydrophobicContact CD2-CD1 3.94Å; L314-I375 HydrophobicContact CG-CD1 3.89Å; M315-I375 HydrophobicContact SD-CD1 3.62Å; M315-I375 HydrophobicContact SD-CG1 4.09Å; V320-I375 HydrophobicContact CG2-CG1 4.23Å; V320-I375 HydrophobicContact CG2-CG2 4.06Å; Y371-I375 HydrophobicContact CD1-CD1 4.26Å; Y371-I375 HydrophobicContact CD2-CD1 3.63Å; Y371-I375 HydrophobicContact CE1-CD1 3.83Å; Y371-I375 HydrophobicContact CE2-CD1 3.11Å; Y371-I375 HydrophobicContact CG-CD1 4.17Å; Y371-I375 PolarHBondContact O-N 3.33Å; Y372-I375 PolarHBondContact O-N 3.18Å; I375-Q378 WeakPolarHBondContact O-CB 3.44Å; I375-Q378 PolarHBondContact O-N 3.16Å; I375-Q378 VanDerWaalsContact O-N 3.1Å; I375-V379 HydrophobicContact CG2-CG2 3.92Å; I375-V379 WeakPolarHBondContact O-CG2 3.4Å; I375-V379 PolarHBondContact O-N 3.37Å
376C86.8Confident82.7Confident3 Ų354.7 Ų54.72%0.0228%0.279CS..Hα-helixtrans-56.9-42.9-178.9-740000113.3Y372 Q378 V379 L380 Y416 L417Y372-C376 WeakPolarHBondContact O-CB 3.35Å; Y372-C376 PolarHBondContact O-N 3.34Å; Y372-C376 PolarHBondContact O-SG 3.26Å; C376-Q378 PolarHBondContact O-N 3.47Å; C376-V379 PolarHBondContact O-N 2.75Å; C376-L380 WeakPolarHBondContact O-CG 3.45Å; C376-L380 PolarHBondContact O-N 2.85Å; C376-Y416 WeakPolarHBondContact CB-O 3.49Å; C376-L417 HydrophobicContact CB-CD2 3.62Å; C376-L417 HydrophobicContact CB-CG 4.1Å
377P87.8Confident83.2Confident64 Ų6449 Ų4942%0.41625%0.25SC..Hα-helixtrans-59-46.7173.1-23.934.9000112.4R373 V379 L380 D381R373-P377 WeakPolarHBondContact O-CD 3.19Å; R373-P377 WeakPolarHBondContact O-CG 3.45Å; P377-V379 PolarHBondContact O-N 3.29Å; P377-L380 WeakPolarHBondContact O-CB 3.42Å; P377-L380 PolarHBondContact O-N 2.98Å; P377-D381 PolarHBondContact O-N 3.41Å
378Q89.4Confident82.7Confident17 Ų1755.8 Ų55.88%0.07927%0.273CS..Hα-helixtrans-63.4-26178.6-64.8-174.56300113.6R316 N318 V320 D374 I375 C376 L382R316-Q378 PolarHBondContact O-NE2 3.11Å; R316-Q378 PolarHBondContact O-OE1 3.39Å; R316-Q378 VanDerWaalsContact O-OE1 3.1Å; N318-Q378 VanDerWaalsContact N-OE1 3.16Å; V320-Q378 HydrophobicContact CB-CB 3.98Å; V320-Q378 HydrophobicContact CG2-CB 3.62Å; V320-Q378 HydrophobicContact CG2-CG 4.41Å; V320-Q378 VanDerWaalsContact N-OE1 3.12Å; D374-Q378 PolarHBondContact O-NE2 2.83Å; I375-Q378 WeakPolarHBondContact O-CB 3.44Å; I375-Q378 PolarHBondContact O-N 3.16Å; I375-Q378 VanDerWaalsContact O-N 3.1Å; C376-Q378 PolarHBondContact O-N 3.47Å; Q378-L382 WeakPolarHBondContact O-CG 3.44Å
379V88.4Confident82.2Confident3 Ų361 Ų612%0.01830%0.298CS..Hα-helixtrans-74.2-36.3173.3171.50000111V320 I375 C376 P377 L382 A398 T401V320-V379 HydrophobicContact CG1-CG2 4.32Å; I375-V379 HydrophobicContact CG2-CG2 3.92Å; I375-V379 WeakPolarHBondContact O-CG2 3.4Å; I375-V379 PolarHBondContact O-N 3.37Å; C376-V379 PolarHBondContact O-N 2.75Å; P377-V379 PolarHBondContact O-N 3.29Å; V379-L382 WeakPolarHBondContact O-CB 3.48Å; V379-L382 PolarHBondContact O-N 3.49Å; V379-A398 HydrophobicContact CG1-CB 4.4Å; V379-T401 HydrophobicContact CG1-CG2 4.23Å; V379-T401 HydrophobicContact CG2-CG2 4.18Å
380L86.2Confident81.7Confident21 Ų2157.4 Ų57.411%0.1128%0.283CS..Hα-helixtrans-66.9-39.8173.7-61178000111.3C376 P377 L382 F383 F402 L417 P420 V421C376-L380 WeakPolarHBondContact O-CG 3.45Å; C376-L380 PolarHBondContact O-N 2.85Å; P377-L380 WeakPolarHBondContact O-CB 3.42Å; P377-L380 PolarHBondContact O-N 2.98Å; L380-L382 PolarHBondContact O-N 3Å; L380-L382 VanDerWaalsContact O-N 3.12Å; L380-F383 HydrophobicContact CD2-CD2 4.29Å; L380-F383 HydrophobicContact CD2-CE2 4.1Å; L380-F383 WeakPolarHBondContact O-CB 3.44Å; L380-F383 PolarHBondContact O-N 3.15Å; L380-F402 HydrophobicContact CD2-CD2 4.33Å; L380-F402 HydrophobicContact CD2-CE2 4.1Å; L380-L417 HydrophobicContact CD2-CD2 3.98Å; L380-L417 HydrophobicContact CG-CD2 4.12Å; L380-P420 HydrophobicContact CD1-CB 4.03Å; L380-V421 HydrophobicContact CD1-CG2 4.11Å; L380-V421 HydrophobicContact CD2-CG2 3.52Å; L380-V421 HydrophobicContact CG-CG2 4.47Å
381D86.4Confident81.4Confident94 Ų9456.8 Ų56.850%0.50328%0.28SS..Hα-helixtrans-57.8-27.2176.2-64.8-34.6000113.1P377 F383 H384P377-D381 PolarHBondContact O-N 3.41Å; D381-F383 VanDerWaalsContact C-N 3.26Å; D381-F383 PolarHBondContact O-N 2.77Å; D381-H384 PolarHBondContact O-N 2.88Å
382L85.9Confident81.1Confident4 Ų466.6 Ų66.62%0.02132%0.317CS..G310 helixtrans-66.7-23.6176.7-52-179.2000113.1V320 Q321 V324 Q378 V379 L380 H384 F394 V397 A398V320-L382 HydrophobicContact CG1-CD1 3.92Å; V320-L382 HydrophobicContact CG1-CD2 4.35Å; Q321-L382 HydrophobicContact CB-CD2 4.21Å; V324-L382 HydrophobicContact CG2-CD1 4.39Å; Q378-L382 WeakPolarHBondContact O-CG 3.44Å; V379-L382 WeakPolarHBondContact O-CB 3.48Å; V379-L382 PolarHBondContact O-N 3.49Å; L380-L382 PolarHBondContact O-N 3Å; L380-L382 VanDerWaalsContact O-N 3.12Å; L382-H384 PolarHBondContact O-N 2.88Å; L382-F394 HydrophobicContact CD2-CD1 3.91Å; L382-F394 HydrophobicContact CD2-CE1 4.3Å; L382-V397 HydrophobicContact CD1-CG1 4.42Å; L382-A398 HydrophobicContact CB-CB 3.93Å; L382-A398 HydrophobicContact CD1-CB 4.27Å
383F83.4Confident81Confident11 Ų1168.9 Ų68.95%0.04833%0.327CS..G310 helixtrans-71.3-19.1177.2-70.8-57000113.4L380 D381 Q395 A398 T399 F402 D457 K460 V461L380-F383 HydrophobicContact CD2-CD2 4.29Å; L380-F383 HydrophobicContact CD2-CE2 4.1Å; L380-F383 WeakPolarHBondContact O-CB 3.44Å; L380-F383 PolarHBondContact O-N 3.15Å; D381-F383 VanDerWaalsContact C-N 3.26Å; D381-F383 PolarHBondContact O-N 2.77Å; F383-Q395 HydrophobicContact CD1-CG 4.24Å; F383-A398 HydrophobicContact CD1-CB 3.7Å; F383-A398 HydrophobicContact CD2-CB 4.3Å; F383-A398 HydrophobicContact CE1-CB 3.37Å; F383-A398 HydrophobicContact CE2-CB 4.01Å; F383-A398 HydrophobicContact CG-CB 4.15Å; F383-A398 HydrophobicContact CZ-CB 3.53Å; F383-T399 WeakPolarHBondContact CE1-OG1 3.49Å; F383-F402 HydrophobicContact CE2-CD2 4.32Å; F383-D457 VanDerWaalsContact CB-OD1 3.3Å; F383-D457 WeakPolarHBondContact CB-OD1 3.34Å; F383-K460 HydrophobicContact CB-CD 3.99Å; F383-K460 HydrophobicContact CD1-CB 4.01Å; F383-K460 HydrophobicContact CD1-CD 3.86Å; F383-K460 HydrophobicContact CD1-CG 4.49Å; F383-K460 HydrophobicContact CE1-CB 4.05Å; F383-K460 HydrophobicContact CG-CD 4.19Å; F383-K460 PolarHBondContact O-NZ 3.37Å; F383-V461 HydrophobicContact CE1-CG2 4.37Å; F383-V461 HydrophobicContact CE2-CG2 3.94Å; F383-V461 HydrophobicContact CZ-CG2 3.55Å
384H83.7Confident80.9Confident62 Ų6262.3 Ų62.329%0.28730%0.303SS..G310 helixtrans-107.418.5-175.2-60.6-62000112.7D381 L382 Q386 D457D381-H384 PolarHBondContact O-N 2.88Å; L382-H384 PolarHBondContact O-N 2.88Å; H384-Q386 PolarHBondContact O-N 2.95Å; H384-D457 IonicContact CD2-OD2 3.77Å; H384-D457 IonicContact CE1-OD1 3.66Å; H384-D457 PolarHBondContact CE1-OD1 2.68Å; H384-D457 IonicContact CE1-OD2 3.09Å; H384-D457 PolarHBondContact CE1-OD2 3.17Å; H384-D457 VanDerWaalsContact NE2-CG 3.26Å; H384-D457 IonicContact NE2-OD1 3.62Å; H384-D457 PolarHBondContact NE2-OD1 3.43Å; H384-D457 IonicContact NE2-OD2 3.31Å; H384-D457 PolarHBondContact NE2-OD2 3.2Å
385F79.5Confident80.9Confident47 Ų4761.1 Ų61.121%0.20630%0.295CS..  trans-72.8118.1-175.8-153.8-99.2000112.5Q321 R325 D387 A391 F394Q321-F385 HydrophobicContact CG-CE2 4.32Å; Q321-F385 VanDerWaalsContact NE2-CE2 3.3Å; R325-F385 VanDerWaalsContact NH2-CE1 3.25Å; F385-D387 HydrophobicContact CD1-CB 3.97Å; F385-D387 HydrophobicContact CE1-CB 3.65Å; F385-D387 PolarHBondContact O-N 3.47Å; F385-A391 WeakPolarHBondContact O-CB 3.32Å; F385-F394 HydrophobicContact CB-CB 4.42Å; F385-F394 HydrophobicContact CG-CD1 4.41Å
386Q70.1Confident80.7Confident188 Ų18866 Ų6688%0.87931%0.313SS*.  trans-76.3-16.7-166.7-63-178.2-4.800115.8H384 K388H384-Q386 PolarHBondContact O-N 2.95Å; Q386-K388 PolarHBondContact O-N 3.24Å
387D75.3Confident80.7Confident63 Ų6365.9 Ų65.934%0.33731%0.312SS..  trans-75.6106.8-177.2172.718.2000111.8F385 L389 T390 A391F385-D387 HydrophobicContact CD1-CB 3.97Å; F385-D387 HydrophobicContact CE1-CB 3.65Å; F385-D387 PolarHBondContact O-N 3.47Å; D387-L389 PolarHBondContact O-N 3.47Å; D387-L389 PolarHBondContact OD1-N 2.78Å; D387-T390 WeakPolarHBondContact CB-OG1 3.34Å; D387-T390 VanDerWaalsContact CG-OG1 3.29Å; D387-T390 PolarHBondContact O-N 3.36Å; D387-T390 VanDerWaalsContact O-N 3.16Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.48Å; D387-T390 PolarHBondContact OD2-OG1 3.45Å; D387-A391 WeakPolarHBondContact O-CB 3.24Å; D387-A391 PolarHBondContact O-N 2.95Å
388K67.6Low80.7Confident189 Ų18962.8 Ų62.882%0.82229%0.292SS*.THydrogen-bonded Turntrans-55.2-27.1-175-63.6-177.4179.9-179.50114.9Q386Q386-K388 PolarHBondContact O-N 3.24Å
389L66.7Low80.6Confident158 Ų15862.4 Ų62.483%0.82729%0.291SS*.THydrogen-bonded Turntrans-80.3-40.2-178.7-65.3178.3000112D387D387-L389 PolarHBondContact O-N 3.47Å; D387-L389 PolarHBondContact OD1-N 2.78Å
390T71.6Confident80.5Confident22 Ų2263.8 Ų63.814%0.13530%0.299CS..THydrogen-bonded Turntrans-94.2-26.9-177.4570000113.1D387 R392 Q393 F394D387-T390 WeakPolarHBondContact CB-OG1 3.34Å; D387-T390 VanDerWaalsContact CG-OG1 3.29Å; D387-T390 PolarHBondContact O-N 3.36Å; D387-T390 VanDerWaalsContact O-N 3.16Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.48Å; D387-T390 PolarHBondContact OD2-OG1 3.45Å; T390-R392 VanDerWaalsContact C-N 3.26Å; T390-R392 PolarHBondContact O-N 2.8Å; T390-Q393 WeakPolarHBondContact O-CB 3.19Å; T390-Q393 PolarHBondContact O-N 2.96Å; T390-F394 WeakPolarHBondContact O-CD2 3.49Å; T390-F394 PolarHBondContact O-N 2.9Å
391A75.8Confident80.5Confident25 Ų2563 Ų6321%0.20730%0.295CS..Hα-helixtrans-46.6-41.2-174.300000114.6F385 D387 Q393 F394 Q395F385-A391 WeakPolarHBondContact O-CB 3.32Å; D387-A391 WeakPolarHBondContact O-CB 3.24Å; D387-A391 PolarHBondContact O-N 2.95Å; A391-Q393 VanDerWaalsContact C-N 3.34Å; A391-Q393 PolarHBondContact O-N 3.42Å; A391-F394 PolarHBondContact O-N 3.45Å; A391-Q395 VanDerWaalsContact O-CB 3.28Å; A391-Q395 WeakPolarHBondContact O-CB 3.47Å; A391-Q395 PolarHBondContact O-N 3.03Å
392R79Confident80.7Confident208 Ų20858.5 Ų58.579%0.78527%0.272SS*.Hα-helixtrans-62.2-37.2178-68.6-178.2176179.5-1.8113.4T390 R396T390-R392 VanDerWaalsContact C-N 3.26Å; T390-R392 PolarHBondContact O-N 2.8Å; R392-R396 WeakPolarHBondContact O-CB 3.25Å; R392-R396 PolarHBondContact O-N 3.4Å; R392-R396 VanDerWaalsContact O-N 3.12Å
393Q80.7Confident80.7Confident50 Ų5059 Ų5923%0.23427%0.274CS..Hα-helixtrans-73.9-39.3177.2-61.1177.8-25.700110.6L328 D347 T390 A391 R396 V397L328-Q393 HydrophobicContact CD1-CB 3.76Å; D347-Q393 PolarHBondContact OD2-NE2 3.33Å; T390-Q393 WeakPolarHBondContact O-CB 3.19Å; T390-Q393 PolarHBondContact O-N 2.96Å; A391-Q393 VanDerWaalsContact C-N 3.34Å; A391-Q393 PolarHBondContact O-N 3.42Å; Q393-R396 PolarHBondContact O-N 3.1Å; Q393-V397 WeakPolarHBondContact O-CG2 3.41Å; Q393-V397 PolarHBondContact O-N 3.36Å
394F83.7Confident80.8Confident2 Ų259.6 Ų59.61%0.00928%0.278CS..Hα-helixtrans-64.1-49.5176.6-82-104.7000111.9Q321 V324 R325 L328 L382 F385 T390 A391 R396 V397 A398Q321-F394 HydrophobicContact CG-CE1 3.87Å; V324-F394 HydrophobicContact CB-CE1 3.8Å; V324-F394 HydrophobicContact CB-CZ 3.9Å; V324-F394 HydrophobicContact CG1-CD1 3.98Å; V324-F394 HydrophobicContact CG1-CD2 4.16Å; V324-F394 HydrophobicContact CG1-CE1 3.52Å; V324-F394 HydrophobicContact CG1-CE2 3.76Å; V324-F394 HydrophobicContact CG1-CG 4.25Å; V324-F394 HydrophobicContact CG1-CZ 3.38Å; R325-F394 HydrophobicContact CG-CE1 4.35Å; R325-F394 HydrophobicContact CG-CE2 4.45Å; R325-F394 HydrophobicContact CG-CZ 3.56Å; L328-F394 HydrophobicContact CD1-CE2 4.48Å; L382-F394 HydrophobicContact CD2-CD1 3.91Å; L382-F394 HydrophobicContact CD2-CE1 4.3Å; F385-F394 HydrophobicContact CB-CB 4.42Å; F385-F394 HydrophobicContact CG-CD1 4.41Å; T390-F394 WeakPolarHBondContact O-CD2 3.49Å; T390-F394 PolarHBondContact O-N 2.9Å; A391-F394 PolarHBondContact O-N 3.45Å; F394-R396 VanDerWaalsContact C-N 3.31Å; F394-R396 PolarHBondContact O-N 2.88Å; F394-V397 PolarHBondContact O-N 2.87Å; F394-A398 WeakPolarHBondContact O-CB 3.45Å; F394-A398 PolarHBondContact O-N 3.31Å
395Q84.7Confident81Confident50 Ų5056.8 Ų56.823%0.23427%0.266CS..Hα-helixtrans-54.2-46.3172-178.5-170.1-12.200111.1F383 A391 A398 T399 K460F383-Q395 HydrophobicContact CD1-CG 4.24Å; A391-Q395 VanDerWaalsContact O-CB 3.28Å; A391-Q395 WeakPolarHBondContact O-CB 3.47Å; A391-Q395 PolarHBondContact O-N 3.03Å; Q395-A398 WeakPolarHBondContact O-CB 3.49Å; Q395-A398 PolarHBondContact O-N 3.3Å; Q395-T399 PolarHBondContact O-N 3.1Å; Q395-T399 PolarHBondContact O-OG1 3.35Å; Q395-K460 HydrophobicContact CG-CB 4.49Å; Q395-K460 HydrophobicContact CG-CG 4.32Å
396R83Confident81.3Confident105 Ų10554.8 Ų54.840%0.39626%0.257SS..Hα-helixtrans-62.9-45.9178.7-175.4175.8-179.8132.85.5112.3C351 D352 R392 Q393 F394 A398 T399 T400C351-R396 HydrophobicContact CB-CG 4.22Å; D352-R396 IonicContact OD1-NE 3.58Å; D352-R396 IonicContact OD1-NH2 2.86Å; D352-R396 IonicContact OD2-NH2 3.74Å; R392-R396 WeakPolarHBondContact O-CB 3.25Å; R392-R396 PolarHBondContact O-N 3.4Å; R392-R396 VanDerWaalsContact O-N 3.12Å; Q393-R396 PolarHBondContact O-N 3.1Å; F394-R396 VanDerWaalsContact C-N 3.31Å; F394-R396 PolarHBondContact O-N 2.88Å; R396-A398 VanDerWaalsContact C-N 3.27Å; R396-A398 PolarHBondContact O-N 3.35Å; R396-T399 PolarHBondContact O-N 3.19Å; R396-T400 WeakPolarHBondContact O-CB 3.45Å; R396-T400 PolarHBondContact O-N 2.67Å; R396-T400 PolarHBondContact O-OG1 3.3Å; R396-T400 VanDerWaalsContact O-OG1 3.11Å
397V86.3Confident82.1Confident0 Ų052.7 Ų52.70%024%0.241CC..Hα-helixtrans-58.2-44175.2172.30000110.4V324 C351 I354 L358 L382 Q393 F394 T401V324-V397 HydrophobicContact CG1-CG2 4.33Å; V324-V397 HydrophobicContact CG2-CG1 4.01Å; C351-V397 HydrophobicContact CB-CG2 3.68Å; I354-V397 HydrophobicContact CB-CG1 4.33Å; I354-V397 HydrophobicContact CB-CG2 4.43Å; I354-V397 HydrophobicContact CD1-CG2 4.27Å; I354-V397 HydrophobicContact CG2-CG1 3.74Å; I354-V397 HydrophobicContact CG2-CG2 4.49Å; L358-V397 HydrophobicContact CD1-CG1 3.94Å; L382-V397 HydrophobicContact CD1-CG1 4.42Å; Q393-V397 WeakPolarHBondContact O-CG2 3.41Å; Q393-V397 PolarHBondContact O-N 3.36Å; F394-V397 PolarHBondContact O-N 2.87Å; V397-T401 VanDerWaalsContact O-CB 3.24Å; V397-T401 WeakPolarHBondContact O-CB 3.44Å; V397-T401 PolarHBondContact O-N 3.37Å; V397-T401 PolarHBondContact O-OG1 2.71Å
398A88.5Confident82.5Confident0 Ų055 Ų550%025%0.25CC..Hα-helixtrans-62-52.1178.700000112.1V379 L382 F383 F394 Q395 R396 T400 T401 F402V379-A398 HydrophobicContact CG1-CB 4.4Å; L382-A398 HydrophobicContact CB-CB 3.93Å; L382-A398 HydrophobicContact CD1-CB 4.27Å; F383-A398 HydrophobicContact CD1-CB 3.7Å; F383-A398 HydrophobicContact CD2-CB 4.3Å; F383-A398 HydrophobicContact CE1-CB 3.37Å; F383-A398 HydrophobicContact CE2-CB 4.01Å; F383-A398 HydrophobicContact CG-CB 4.15Å; F383-A398 HydrophobicContact CZ-CB 3.53Å; F394-A398 WeakPolarHBondContact O-CB 3.45Å; F394-A398 PolarHBondContact O-N 3.31Å; Q395-A398 WeakPolarHBondContact O-CB 3.49Å; Q395-A398 PolarHBondContact O-N 3.3Å; R396-A398 VanDerWaalsContact C-N 3.27Å; R396-A398 PolarHBondContact O-N 3.35Å; A398-T400 PolarHBondContact O-N 2.8Å; A398-T401 PolarHBondContact O-N 2.95Å; A398-F402 WeakPolarHBondContact O-CB 3.37Å; A398-F402 PolarHBondContact O-N 2.74Å
399T87Confident83.3Confident9 Ų950.1 Ų50.16%0.05523%0.227CC..Hα-helixtrans-57.8-50.1176.4-58.60000111.6F383 Q395 R396 T401 F402 I403 K460F383-T399 WeakPolarHBondContact CE1-OG1 3.49Å; Q395-T399 PolarHBondContact O-N 3.1Å; Q395-T399 PolarHBondContact O-OG1 3.35Å; R396-T399 PolarHBondContact O-N 3.19Å; T399-T401 VanDerWaalsContact C-N 3.34Å; T399-T401 PolarHBondContact O-N 3.35Å; T399-F402 WeakPolarHBondContact O-CB 3.46Å; T399-F402 PolarHBondContact O-N 3.03Å; T399-I403 HydrophobicContact CG2-CD1 3.76Å; T399-I403 VanDerWaalsContact O-CG1 3.32Å; T399-I403 WeakPolarHBondContact O-CG1 3.44Å; T399-I403 PolarHBondContact O-N 3.04Å; T399-K460 WeakPolarHBondContact CG2-O 3.47Å; T399-K460 PolarHBondContact OG1-O 3.1Å
400T86Confident84.2Confident31 Ų3145.1 Ų45.119%0.1920%0.204CC..Hα-helixtrans-63.6-38.8179-53.50000111.3D352 A355 R396 A398 I403 T404D352-T400 HydrophobicContact CB-CG2 4.43Å; D352-T400 PolarHBondContact OD1-OG1 2.81Å; A355-T400 HydrophobicContact CB-CG2 3.54Å; R396-T400 WeakPolarHBondContact O-CB 3.45Å; R396-T400 PolarHBondContact O-N 2.67Å; R396-T400 PolarHBondContact O-OG1 3.3Å; R396-T400 VanDerWaalsContact O-OG1 3.11Å; A398-T400 PolarHBondContact O-N 2.8Å; T400-I403 PolarHBondContact O-N 2.72Å; T400-T404 WeakPolarHBondContact O-CB 3.43Å; T400-T404 PolarHBondContact O-N 3.3Å; T400-T404 PolarHBondContact O-OG1 3.38Å
401T86.3Confident84.8Confident5 Ų552.1 Ų52.13%0.03124%0.235CC..Hα-helixtrans-64.7-43.9177-55.30000111.3A355 L358 V379 V397 A398 T399 I403 T404 L405A355-T401 WeakPolarHBondContact CA-OG1 3.33Å; A355-T401 WeakPolarHBondContact CB-OG1 3.34Å; L358-T401 HydrophobicContact CB-CG2 3.65Å; L358-T401 HydrophobicContact CD1-CG2 4.26Å; V379-T401 HydrophobicContact CG1-CG2 4.23Å; V379-T401 HydrophobicContact CG2-CG2 4.18Å; V397-T401 VanDerWaalsContact O-CB 3.24Å; V397-T401 WeakPolarHBondContact O-CB 3.44Å; V397-T401 PolarHBondContact O-N 3.37Å; V397-T401 PolarHBondContact O-OG1 2.71Å; A398-T401 PolarHBondContact O-N 2.95Å; T399-T401 VanDerWaalsContact C-N 3.34Å; T399-T401 PolarHBondContact O-N 3.35Å; T401-I403 PolarHBondContact O-N 2.99Å; T401-T404 PolarHBondContact O-N 3.24Å; T401-L405 WeakPolarHBondContact O-CB 3.49Å; T401-L405 PolarHBondContact O-N 3.12Å
402F89.2Confident85.3Confident0 Ų052.2 Ų52.20%023%0.232CC..Hα-helixtrans-58.9-47.8177.9-162.9-65000111.1L380 F383 A398 T399 S406 L417 L418 V421 V461 L472L380-F402 HydrophobicContact CD2-CD2 4.33Å; L380-F402 HydrophobicContact CD2-CE2 4.1Å; F383-F402 HydrophobicContact CE2-CD2 4.32Å; A398-F402 WeakPolarHBondContact O-CB 3.37Å; A398-F402 PolarHBondContact O-N 2.74Å; T399-F402 WeakPolarHBondContact O-CB 3.46Å; T399-F402 PolarHBondContact O-N 3.03Å; F402-S406 VanDerWaalsContact O-CB 3.31Å; F402-S406 WeakPolarHBondContact O-CB 3.17Å; F402-S406 PolarHBondContact O-N 2.95Å; F402-S406 PolarHBondContact O-OG 3Å; F402-L417 HydrophobicContact CB-CD1 4.46Å; F402-L417 HydrophobicContact CD1-CD1 4.38Å; F402-L417 HydrophobicContact CD2-CB 4.19Å; F402-L417 HydrophobicContact CD2-CD1 3.88Å; F402-L417 HydrophobicContact CD2-CD2 4.26Å; F402-L417 HydrophobicContact CD2-CG 4.36Å; F402-L417 HydrophobicContact CE1-CB 4.45Å; F402-L417 HydrophobicContact CE2-CB 3.65Å; F402-L417 HydrophobicContact CE2-CD1 4.19Å; F402-L417 HydrophobicContact CE2-CD2 4.35Å; F402-L417 HydrophobicContact CE2-CG 4.29Å; F402-L417 HydrophobicContact CG-CD1 3.98Å; F402-L417 HydrophobicContact CZ-CB 3.78Å; F402-L418 HydrophobicContact CE1-CD2 3.81Å; F402-L418 HydrophobicContact CE1-CG 4.08Å; F402-L418 HydrophobicContact CZ-CD2 3.7Å; F402-L418 HydrophobicContact CZ-CG 3.97Å; F402-V421 HydrophobicContact CE2-CG2 4.2Å; F402-V461 HydrophobicContact CB-CG2 4.49Å; F402-V461 HydrophobicContact CD1-CG1 3.6Å; F402-V461 HydrophobicContact CD1-CG2 4.34Å; F402-V461 HydrophobicContact CD2-CG1 4.47Å; F402-V461 HydrophobicContact CD2-CG2 3.74Å; F402-V461 HydrophobicContact CE1-CG1 3.69Å; F402-V461 HydrophobicContact CE2-CG1 4.5Å; F402-V461 HydrophobicContact CE2-CG2 3.96Å; F402-V461 HydrophobicContact CG-CG1 4.04Å; F402-V461 HydrophobicContact CG-CG2 3.95Å; F402-V461 HydrophobicContact CZ-CG1 4.15Å; F402-V461 HydrophobicContact CZ-CG2 4.38Å; F402-L472 HydrophobicContact CD1-CD2 4.44Å; F402-L472 HydrophobicContact CE1-CD2 3.86Å
403I86.9Confident85.6Confident13 Ų1342.3 Ų42.37%0.06719%0.194CC..Hα-helixtrans-65.4-48.5178.8-69.7170.5000111T399 T400 T401 L405 S406 R407 E467 L469T399-I403 HydrophobicContact CG2-CD1 3.76Å; T399-I403 VanDerWaalsContact O-CG1 3.32Å; T399-I403 WeakPolarHBondContact O-CG1 3.44Å; T399-I403 PolarHBondContact O-N 3.04Å; T400-I403 PolarHBondContact O-N 2.72Å; T401-I403 PolarHBondContact O-N 2.99Å; I403-L405 PolarHBondContact O-N 2.84Å; I403-S406 PolarHBondContact O-N 3.32Å; I403-R407 WeakPolarHBondContact O-CB 3.42Å; I403-R407 PolarHBondContact O-N 2.86Å; I403-E467 HydrophobicContact CD1-CB 4.45Å; I403-E467 HydrophobicContact CD1-CG 4.47Å; I403-E467 HydrophobicContact CG2-CB 4.29Å; I403-E467 HydrophobicContact CG2-CG 4.23Å; I403-E467 WeakPolarHBondContact CG2-OE2 3.34Å; I403-L469 HydrophobicContact CG2-CD1 4.25Å
404T85.9Confident85.8Confident24 Ų2441.9 Ų41.915%0.14720%0.199CC..Hα-helixtrans-61.5-43.2179.1-60.90000111.4A359 T400 T401 S406 R407 E408A359-T404 HydrophobicContact CB-CG2 3.57Å; T400-T404 WeakPolarHBondContact O-CB 3.43Å; T400-T404 PolarHBondContact O-N 3.3Å; T400-T404 PolarHBondContact O-OG1 3.38Å; T401-T404 PolarHBondContact O-N 3.24Å; T404-S406 PolarHBondContact O-N 3.5Å; T404-R407 PolarHBondContact O-N 3.2Å; T404-E408 HydrophobicContact CG2-CG 4.4Å; T404-E408 PolarHBondContact O-N 3.3Å
405L86.7Confident85.9Confident4 Ų447.2 Ų47.22%0.02122%0.222CC..Hα-helixtrans-65.7-39176.4-169.168.2000112Y372 T401 I403 R407 E408 R409 A413 L417Y372-L405 HydrophobicContact CD1-CD1 3.83Å; Y372-L405 HydrophobicContact CD1-CD2 4.05Å; Y372-L405 HydrophobicContact CE1-CD1 3.32Å; Y372-L405 HydrophobicContact CE1-CD2 4.37Å; Y372-L405 HydrophobicContact CE2-CD1 4.3Å; T401-L405 WeakPolarHBondContact O-CB 3.49Å; T401-L405 PolarHBondContact O-N 3.12Å; I403-L405 PolarHBondContact O-N 2.84Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 2.78Å; L405-E408 PolarHBondContact O-N 2.66Å; L405-R409 HydrophobicContact CD1-CB 4.24Å; L405-R409 CarbonylContact O-C 3.57Å; L405-R409 WeakPolarHBondContact O-CA 3.08Å; L405-R409 PolarHBondContact O-N 3.49Å; L405-A413 HydrophobicContact CD2-CB 4.43Å; L405-A413 HydrophobicContact CG-CB 4.26Å; L405-L417 HydrophobicContact CB-CD1 4.42Å; L405-L417 HydrophobicContact CD2-CD1 3.68Å; L405-L417 HydrophobicContact CD2-CG 4.34Å
406S86.2Confident86Confident4 Ų446.3 Ų46.33%0.02822%0.217CC..Hα-helixtrans-64.3-32.7175.8-60.30000112.5F402 I403 T404F402-S406 VanDerWaalsContact O-CB 3.31Å; F402-S406 WeakPolarHBondContact O-CB 3.17Å; F402-S406 PolarHBondContact O-N 2.95Å; F402-S406 PolarHBondContact O-OG 3Å; I403-S406 PolarHBondContact O-N 3.32Å; T404-S406 PolarHBondContact O-N 3.5Å
407R86.5Confident86.1Confident145 Ų14541.4 Ų41.455%0.54720%0.198SC..Hα-helixtrans-75.6-45175.6-172-172.6-67.1-179.8-2.2112.6I403 T404 L405 E467 L469I403-R407 WeakPolarHBondContact O-CB 3.42Å; I403-R407 PolarHBondContact O-N 2.86Å; T404-R407 PolarHBondContact O-N 3.2Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 2.78Å; R407-E467 IonicContact CZ-OE2 3.76Å; R407-E467 IonicContact NE-OE2 3.15Å; R407-E467 IonicContact NH2-OE1 2.66Å; R407-E467 PolarHBondContact NH2-OE1 3.11Å; R407-E467 IonicContact NH2-OE2 2.65Å; R407-E467 PolarHBondContact NH2-OE2 3.2Å; R407-L469 HydrophobicContact CB-CD1 4.45Å
408E84.8Confident86.1Confident110 Ų11041.6 Ų41.651%0.51420%0.199SC..Hα-helixtrans-82.8-34.9-175.6-68.6-170.6178.600113.8T404 L405T404-E408 HydrophobicContact CG2-CG 4.4Å; T404-E408 PolarHBondContact O-N 3.3Å; L405-E408 PolarHBondContact O-N 2.66Å
409R84.5Confident86Confident88 Ų8847 Ų4733%0.33223%0.225SC..  trans-142.565.9-171.2-63.1-171.1-176.4-127.11.7112.3P368 Y372 L405 Q411 L412 A413P368-R409 VanDerWaalsContact CB-NH1 3.28Å; Y372-R409 WeakPolarHBondContact OH-CD 3.5Å; Y372-R409 PolarHBondContact OH-NE 3Å; L405-R409 HydrophobicContact CD1-CB 4.24Å; L405-R409 CarbonylContact O-C 3.57Å; L405-R409 WeakPolarHBondContact O-CA 3.08Å; L405-R409 PolarHBondContact O-N 3.49Å; R409-Q411 VanDerWaalsContact C-N 3.32Å; R409-Q411 PolarHBondContact O-N 3.35Å; R409-L412 HydrophobicContact CB-CB 4.48Å; R409-L412 PolarHBondContact O-N 3.02Å; R409-L412 VanDerWaalsContact O-N 3.1Å; R409-A413 PolarHBondContact O-N 3.01Å
410P84.3Confident85.9Confident53 Ų5349.5 Ų49.534%0.34424%0.241SC..Hα-helixtrans-58.2-37.4-17022.8-35.5000114.5L412 A414 V471P410-L412 PolarHBondContact O-N 3.16Å; P410-A414 WeakPolarHBondContact O-CB 3.31Å; P410-A414 PolarHBondContact O-N 3.24Å; P410-V471 HydrophobicContact CB-CB 4.5Å; P410-V471 HydrophobicContact CB-CG1 4.33Å; P410-V471 HydrophobicContact CB-CG2 3.68Å
411Q85.8Confident85.9Confident169 Ų16948.4 Ų48.479%0.7923%0.234SC*.Hα-helixtrans-66.3-35.5179.8-67.2176.8-12.200113.2R409 K415R409-Q411 VanDerWaalsContact C-N 3.32Å; R409-Q411 PolarHBondContact O-N 3.35Å; Q411-K415 PolarHBondContact O-N 2.95Å
412L85.2Confident85.9Confident27 Ų2748.2 Ų48.214%0.14123%0.233CC..Hα-helixtrans-82-35.9179.3-60.8-179.1000111E369 Y372 R409 P410 A414 K415 Y416E369-L412 HydrophobicContact CG-CD2 4.08Å; Y372-L412 HydrophobicContact CD2-CB 4.47Å; Y372-L412 HydrophobicContact CD2-CD1 3.71Å; Y372-L412 HydrophobicContact CE2-CD1 3.93Å; R409-L412 HydrophobicContact CB-CB 4.48Å; R409-L412 PolarHBondContact O-N 3.02Å; R409-L412 VanDerWaalsContact O-N 3.1Å; P410-L412 PolarHBondContact O-N 3.16Å; L412-A414 VanDerWaalsContact C-N 3.35Å; L412-K415 PolarHBondContact O-N 3.48Å; L412-Y416 HydrophobicContact CB-CD2 4.48Å; L412-Y416 HydrophobicContact CD2-CE2 4.29Å; L412-Y416 PolarHBondContact O-N 3.41Å
413A85.5Confident85.7Confident0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-61.3-42.2170.600000111.8L405 R409 K415 L417 L418L405-A413 HydrophobicContact CD2-CB 4.43Å; L405-A413 HydrophobicContact CG-CB 4.26Å; R409-A413 PolarHBondContact O-N 3.01Å; A413-K415 VanDerWaalsContact C-N 3.34Å; A413-K415 PolarHBondContact O-N 2.86Å; A413-L417 WeakPolarHBondContact O-CA 3.23Å; A413-L417 WeakPolarHBondContact O-CB 3.38Å; A413-L417 PolarHBondContact O-N 3.44Å; A413-L418 PolarHBondContact O-N 2.92Å
414A85.4Confident85.5Confident40 Ų4049.5 Ų49.533%0.33125%0.245SC..Iπ-helixtrans-55.3-47.5174.400000112.3P410 L412 Q419P410-A414 WeakPolarHBondContact O-CB 3.31Å; P410-A414 PolarHBondContact O-N 3.24Å; L412-A414 VanDerWaalsContact C-N 3.35Å; A414-Q419 WeakPolarHBondContact O-CB 3.49Å; A414-Q419 PolarHBondContact O-N 2.91Å
415K86.2Confident85.3Confident115 Ų11548.4 Ų48.450%0.524%0.238SC..Iπ-helixtrans-76.9-41.6-175.7-174.2175.1-178.91760114.5Q411 L412 A413Q411-K415 PolarHBondContact O-N 2.95Å; L412-K415 PolarHBondContact O-N 3.48Å; A413-K415 VanDerWaalsContact C-N 3.34Å; A413-K415 PolarHBondContact O-N 2.86Å
416Y85.3Confident85.1Confident31 Ų3151.1 Ų51.112%0.12225%0.25CS..Iπ-helixtrans-105.7-11.1-170.3-65.5-68000114.6R373 C376 L412R373-Y416 HydrophobicContact CB-CE1 4.06Å; R373-Y416 HydrophobicContact CG-CE1 4.2Å; C376-Y416 WeakPolarHBondContact CB-O 3.49Å; L412-Y416 HydrophobicContact CB-CD2 4.48Å; L412-Y416 HydrophobicContact CD2-CE2 4.29Å; L412-Y416 PolarHBondContact O-N 3.41Å
417L86.4Confident84.7Confident1 Ų155.4 Ų55.41%0.00527%0.266CS..Iπ-helixtrans-119.6-57.3175.1-68.7177.6000112.6C376 L380 F402 L405 A413 P420 V421C376-L417 HydrophobicContact CB-CD2 3.62Å; C376-L417 HydrophobicContact CB-CG 4.1Å; L380-L417 HydrophobicContact CD2-CD2 3.98Å; L380-L417 HydrophobicContact CG-CD2 4.12Å; F402-L417 HydrophobicContact CB-CD1 4.46Å; F402-L417 HydrophobicContact CD1-CD1 4.38Å; F402-L417 HydrophobicContact CD2-CB 4.19Å; F402-L417 HydrophobicContact CD2-CD1 3.88Å; F402-L417 HydrophobicContact CD2-CD2 4.26Å; F402-L417 HydrophobicContact CD2-CG 4.36Å; F402-L417 HydrophobicContact CE1-CB 4.45Å; F402-L417 HydrophobicContact CE2-CB 3.65Å; F402-L417 HydrophobicContact CE2-CD1 4.19Å; F402-L417 HydrophobicContact CE2-CD2 4.35Å; F402-L417 HydrophobicContact CE2-CG 4.29Å; F402-L417 HydrophobicContact CG-CD1 3.98Å; F402-L417 HydrophobicContact CZ-CB 3.78Å; L405-L417 HydrophobicContact CB-CD1 4.42Å; L405-L417 HydrophobicContact CD2-CD1 3.68Å; L405-L417 HydrophobicContact CD2-CG 4.34Å; A413-L417 WeakPolarHBondContact O-CA 3.23Å; A413-L417 WeakPolarHBondContact O-CB 3.38Å; A413-L417 PolarHBondContact O-N 3.44Å; L417-P420 WeakPolarHBondContact O-CD 3.5Å; L417-V421 WeakPolarHBondContact O-CG2 3.43Å; L417-V421 PolarHBondContact O-N 3.5Å; L417-V421 VanDerWaalsContact O-N 3.14Å
418L85.4Confident84.1Confident4 Ų448.5 Ų48.52%0.02124%0.24CC..Iπ-helixtrans-69.3-45.6-173.6-72.4163.5000112.5F402 A413 V421 L422 Y462 V471 L472F402-L418 HydrophobicContact CE1-CD2 3.81Å; F402-L418 HydrophobicContact CE1-CG 4.08Å; F402-L418 HydrophobicContact CZ-CD2 3.7Å; F402-L418 HydrophobicContact CZ-CG 3.97Å; A413-L418 PolarHBondContact O-N 2.92Å; L418-V421 PolarHBondContact O-N 2.6Å; L418-L422 WeakPolarHBondContact O-CB 3.45Å; L418-L422 PolarHBondContact O-N 2.72Å; L418-Y462 VanDerWaalsContact CD2-OH 3.26Å; L418-Y462 WeakPolarHBondContact CD2-OH 3.34Å; L418-V471 HydrophobicContact CD1-CG1 3.98Å; L418-L472 HydrophobicContact CD1-CD2 4.22Å; L418-L472 HydrophobicContact CD2-CD2 3.81Å; L418-L472 HydrophobicContact CG-CD2 4.49Å
419Q86.4Confident83.5Confident115 Ų11544.6 Ų44.654%0.53722%0.222SC..Hα-helixtrans-59.3-46.2178.2179.317813.400112.2A414 A423A414-Q419 WeakPolarHBondContact O-CB 3.49Å; A414-Q419 PolarHBondContact O-N 2.91Å; Q419-A423 WeakPolarHBondContact O-CA 3.48Å; Q419-A423 VanDerWaalsContact O-CB 3.25Å; Q419-A423 WeakPolarHBondContact O-CB 3.33Å; Q419-A423 PolarHBondContact O-N 3.33Å
420P85.1Confident82.3Confident61 Ų6143.6 Ų43.640%0.39623%0.229SC..Hα-helixtrans-59.8-45.9171.5-28.836.3000114.9L380 L417 L422 A423L380-P420 HydrophobicContact CD1-CB 4.03Å; L417-P420 WeakPolarHBondContact O-CD 3.5Å; P420-L422 PolarHBondContact O-N 3.22Å; P420-A423 WeakPolarHBondContact O-CB 3.37Å; P420-A423 PolarHBondContact O-N 2.71Å
421V87Confident80.7Confident7 Ų744 Ų444%0.04223%0.23CC..Hα-helixtrans-64.7-40.8-178.5169.30000111.6L380 F402 L417 L418 C454 D457 V458L380-V421 HydrophobicContact CD1-CG2 4.11Å; L380-V421 HydrophobicContact CD2-CG2 3.52Å; L380-V421 HydrophobicContact CG-CG2 4.47Å; F402-V421 HydrophobicContact CE2-CG2 4.2Å; L417-V421 WeakPolarHBondContact O-CG2 3.43Å; L417-V421 PolarHBondContact O-N 3.5Å; L417-V421 VanDerWaalsContact O-N 3.14Å; L418-V421 PolarHBondContact O-N 2.6Å; V421-C454 PolarHBondContact O-SG 3.46Å; V421-D457 HydrophobicContact CG1-CB 4.15Å; V421-V458 HydrophobicContact CG1-CG2 3.84Å
422L85.7Confident78.9Confident1 Ų140.8 Ų40.81%0.00523%0.233CC..Hα-helixtrans-89.1-4.3-179.5-61174.8000113.5L418 P420 L425 H426 V458 L476L418-L422 WeakPolarHBondContact O-CB 3.45Å; L418-L422 PolarHBondContact O-N 2.72Å; P420-L422 PolarHBondContact O-N 3.22Å; L422-L425 PolarHBondContact O-N 2.81Å; L422-H426 VanDerWaalsContact CB-CD2 3.46Å; L422-H426 WeakPolarHBondContact CB-CD2 3.37Å; L422-H426 PolarHBondContact O-CD2 3.42Å; L422-H426 PolarHBondContact O-N 2.98Å; L422-V458 HydrophobicContact CD2-CG2 3.76Å; L422-L476 HydrophobicContact CD2-CD1 4.13Å
423A84.5Confident77.1Confident28 Ų2846.2 Ų46.223%0.23126%0.258CS..Hα-helixtrans-53.8-44.9-176.200000113.8Q419 P420 L425 H426 R427Q419-A423 WeakPolarHBondContact O-CA 3.48Å; Q419-A423 VanDerWaalsContact O-CB 3.25Å; Q419-A423 WeakPolarHBondContact O-CB 3.33Å; Q419-A423 PolarHBondContact O-N 3.33Å; P420-A423 WeakPolarHBondContact O-CB 3.37Å; P420-A423 PolarHBondContact O-N 2.71Å; A423-L425 PolarHBondContact O-N 3.3Å; A423-H426 PolarHBondContact O-N 3.28Å; A423-R427 WeakPolarHBondContact O-CG 3.49Å; A423-R427 PolarHBondContact O-N 3.43Å
424P82.9Confident75.7Confident13 Ų1347.6 Ų47.68%0.08427%0.265CS..Hα-helixtrans-58.9-36.1177.7-26.438000112.9C428 V446 C454P424-C428 PolarHBondContact O-SG 3.02Å; P424-V446 HydrophobicContact CB-CG1 3.87Å; P424-V446 HydrophobicContact CB-CG2 4.44Å; P424-V446 WeakPolarHBondContact O-CG2 3.46Å; P424-C454 HydrophobicContact CB-CB 4.31Å; P424-C454 HydrophobicContact CG-CB 4.06Å
425L82.4Confident74.2Confident1 Ų148.8 Ų48.81%0.00527%0.269CS..Hα-helixtrans-80.5-34179.3-61.1171000112.2L422 A423 C428 L451 C454 V479 V482 L483L422-L425 PolarHBondContact O-N 2.81Å; A423-L425 PolarHBondContact O-N 3.3Å; L425-C428 WeakPolarHBondContact O-CB 3.38Å; L425-C428 PolarHBondContact O-N 3.29Å; L425-L451 HydrophobicContact CD2-CD1 3.84Å; L425-C454 VanDerWaalsContact CD1-SG 3.58Å; L425-V479 HydrophobicContact CB-CG1 3.54Å; L425-V479 HydrophobicContact CB-CG2 4.39Å; L425-V479 HydrophobicContact CD1-CG1 3.48Å; L425-V479 VanDerWaalsContact CD1-CG1 3.48Å; L425-V479 HydrophobicContact CG-CG1 4.05Å; L425-V482 HydrophobicContact CD2-CG1 4.1Å; L425-L483 HydrophobicContact CD1-CD2 3.97Å; L425-L483 HydrophobicContact CD1-CG 4.36Å
426H82.5Confident72.7Confident60 Ų6052.3 Ų52.328%0.27829%0.287SS..Hα-helixtrans-68.3-36.2174.7-76.9-59.5000113.3L422 A423 C428 L429L422-H426 VanDerWaalsContact CB-CD2 3.46Å; L422-H426 WeakPolarHBondContact CB-CD2 3.37Å; L422-H426 PolarHBondContact O-CD2 3.42Å; L422-H426 PolarHBondContact O-N 2.98Å; A423-H426 PolarHBondContact O-N 3.28Å; H426-C428 PolarHBondContact O-N 3.26Å; H426-L429 PolarHBondContact O-N 3.49Å
427R76.4Confident71Confident94 Ų9454.8 Ų54.836%0.35531%0.309SS..THydrogen-bonded Turntrans-54.5-24.9170.9-71.4176.2-163.6161.26.7112.7A423 L445 E450A423-R427 WeakPolarHBondContact O-CG 3.49Å; A423-R427 PolarHBondContact O-N 3.43Å; R427-L445 HydrophobicContact CB-CD2 4Å; R427-E450 IonicContact CZ-OE1 3.04Å; R427-E450 IonicContact NH1-OE1 3.1Å; R427-E450 PolarHBondContact NH1-OE1 3.04Å; R427-E450 IonicContact NH2-OE1 3.12Å
428C73.9Confident69.4Low0 Ų057.9 Ų57.90%033%0.326CS..THydrogen-bonded Turntrans-86.8-7.3-178.7-57.60000114.3P424 L425 H426 L534 H535 I550P424-C428 PolarHBondContact O-SG 3.02Å; L425-C428 WeakPolarHBondContact O-CB 3.38Å; L425-C428 PolarHBondContact O-N 3.29Å; H426-C428 PolarHBondContact O-N 3.26Å; C428-L534 HydrophobicContact CB-CD1 3.9Å; C428-H535 PolarHBondContact O-N 3.39Å; C428-H535 VanDerWaalsContact O-N 3.08Å; C428-I550 WeakPolarHBondContact SG-CD1 3.37Å
429L72.9Confident68Low28 Ų2861.5 Ų61.515%0.14734%0.343CS..THydrogen-bonded Turntrans-102.1-28.8-175.2-72172.3000114H426 P478 V479 V482 P532 S533H426-L429 PolarHBondContact O-N 3.49Å; L429-P478 WeakPolarHBondContact CD1-O 3.29Å; L429-V479 HydrophobicContact CD1-CG2 3.98Å; L429-V482 HydrophobicContact CD2-CG2 3.5Å; L429-V482 VanDerWaalsContact CD2-CG2 3.5Å; L429-V482 HydrophobicContact CG-CG2 4.03Å; L429-P532 HydrophobicContact CD2-CB 3.86Å; L429-S533 WeakPolarHBondContact CD2-O 3.44Å
430S59.5Low66.7Low67 Ų6760.1 Ų60.147%0.46934%0.343SS..  trans-134.8120.7-170-70.30000112.9A432S430-A432 VanDerWaalsContact C-N 3.25Å; S430-A432 PolarHBondContact O-N 3.1Å
431T50.9Low65.4Low61 Ų6160.6 Ų60.637%0.37435%0.346SS..G310 helixtrans-67.5-19.5177.513.40000114.4E433 I434 M439 H535T431-E433 PolarHBondContact O-N 3.06Å; T431-E433 VanDerWaalsContact O-N 3.16Å; T431-I434 HydrophobicContact CG2-CD1 4.1Å; T431-I434 PolarHBondContact O-N 2.99Å; T431-M439 HydrophobicContact CG2-CE 4.28Å; T431-H535 WeakPolarHBondContact CG2-CE1 3.41Å; T431-H535 WeakPolarHBondContact CG2-NE2 3.46Å; T431-H535 PolarHBondContact OG1-NE2 2.74Å
432A48Very low64.2Low102 Ų10261.3 Ų61.384%0.84336%0.355SS*.G310 helixtrans-67.7-11.6-17600000115.1S430S430-A432 VanDerWaalsContact C-N 3.25Å; S430-A432 PolarHBondContact O-N 3.1Å
433E47.4Very low63.7Low142 Ų14263.4 Ų63.466%0.66437%0.368SS*.G310 helixtrans-106-0.2177.3-62.9-170.6165.200113.4T431 P435T431-E433 PolarHBondContact O-N 3.06Å; T431-E433 VanDerWaalsContact O-N 3.16Å; E433-P435 WeakPolarHBondContact O-CD 3.38Å
434I55Low63.3Low29 Ų2966.5 Ų66.515%0.14938%0.379CS..SBendtrans-88120.8179.5-53.9176.1000108.9T431 D438 M439 L445T431-I434 HydrophobicContact CG2-CD1 4.1Å; T431-I434 PolarHBondContact O-N 2.99Å; I434-D438 HydrophobicContact CG2-CB 4.12Å; I434-M439 HydrophobicContact CD1-CE 4.32Å; I434-M439 HydrophobicContact CG2-CE 4.14Å; I434-M439 HydrophobicContact CG2-CG 4.42Å; I434-L445 HydrophobicContact CD1-CD1 3.84Å; I434-L445 HydrophobicContact CG1-CD1 4.18Å; I434-L445 HydrophobicContact CG2-CD1 4.27Å
435P55.1Low62.9Low65 Ų6567.1 Ų67.142%0.42238%0.382SS..  trans-61.1145.1174-22.534.2000112.1E433 S437 D438E433-P435 WeakPolarHBondContact O-CD 3.38Å; P435-S437 WeakPolarHBondContact CB-OG 3.37Å; P435-S437 PolarHBondContact O-N 3.47Å; P435-D438 PolarHBondContact O-N 3.04Å
436E54.3Low62.7Low188 Ų18867.1 Ų67.188%0.87938%0.381SS*.THydrogen-bonded Turntrans-58.1-23.2175.8-67.2-177.1161.400113D438E436-D438 VanDerWaalsContact C-N 3.29Å; E436-D438 PolarHBondContact O-N 3.33Å
437S49.1Very low62.8Low84 Ų8467.2 Ų67.259%0.58739%0.386SS*.THydrogen-bonded Turntrans-66.6-27.1173.5540000114.3P435P435-S437 WeakPolarHBondContact CB-OG 3.37Å; P435-S437 PolarHBondContact O-N 3.47Å
438D53.3Low63.3Low65 Ų6564.4 Ų64.435%0.34838%0.377SS..THydrogen-bonded Turntrans-97.5-8.7-168.6-59.84.4000111I434 P435 E436 V440 T443 I552I434-D438 HydrophobicContact CG2-CB 4.12Å; P435-D438 PolarHBondContact O-N 3.04Å; E436-D438 VanDerWaalsContact C-N 3.29Å; E436-D438 PolarHBondContact O-N 3.33Å; D438-V440 PolarHBondContact O-N 3.06Å; D438-T443 WeakPolarHBondContact O-CB 3.42Å; D438-I552 WeakPolarHBondContact O-CD1 3.5Å
439M55.6Low63.8Low80 Ų8070.1 Ų70.139%0.39440%0.404SS..  trans-67.87.1176.2-62.2-116.894.200114.2T431 I434 L537T431-M439 HydrophobicContact CG2-CE 4.28Å; I434-M439 HydrophobicContact CD1-CE 4.32Å; I434-M439 HydrophobicContact CG2-CE 4.14Å; I434-M439 HydrophobicContact CG2-CG 4.42Å; M439-L537 HydrophobicContact CE-CD1 4.07Å
440V58.7Low64.3Low87 Ų8771.8 Ų71.853%0.52741%0.411SS..SBendtrans-70.3130.8175.4-178.10000109.1D438 G442 T443D438-V440 PolarHBondContact O-N 3.06Å; V440-G442 PolarHBondContact O-N 2.85Å; V440-T443 WeakPolarHBondContact O-CB 3.26Å; V440-T443 PolarHBondContact O-N 3.39Å; V440-T443 PolarHBondContact O-OG1 3.49Å
441P59.3Low65.6Low71 Ų7168.6 Ų68.646%0.46139%0.389SS..THydrogen-bonded Turntrans-61.6138.5-178.3-10.921.1000111.8E554P441-E554 HydrophobicContact CB-CB 4.48Å; P441-E554 HydrophobicContact CB-CG 4.14Å
442G61.6Low67.3Low22 Ų2266.2 Ų66.223%0.22738%0.375CS..THydrogen-bonded Turntrans86-4.7-175.500000115.6V440 I552V440-G442 PolarHBondContact O-N 2.85Å; G442-I552 PolarHBondContact N-O 3Å
443T74.3Confident69.2Low45 Ų4567 Ų6728%0.27636%0.356SS..  trans-64137.8177.6-54.70000111.7D438 V440 L445 T551 I552D438-T443 WeakPolarHBondContact O-CB 3.42Å; V440-T443 WeakPolarHBondContact O-CB 3.26Å; V440-T443 PolarHBondContact O-N 3.39Å; V440-T443 PolarHBondContact O-OG1 3.49Å; T443-L445 PolarHBondContact O-N 3.08Å; T443-T551 VanDerWaalsContact O-CA 3.26Å; T443-T551 WeakPolarHBondContact O-CA 3.47Å; T443-I552 PolarHBondContact O-N 3.49Å; T443-I552 VanDerWaalsContact O-N 3.09Å
444I75.8Confident71.2Confident93 Ų9360.4 Ų60.448%0.47733%0.326SS..EExtended strand (participates in β ladder)trans-80.9111.4178.5-50.2-178.8000109.2T447 M549 T551I444-T447 HydrophobicContact CG2-CG2 4.23Å; I444-M549 HydrophobicContact CB-CE 4.45Å; I444-M549 HydrophobicContact CD1-CE 3.61Å; I444-M549 HydrophobicContact CG1-CE 3.6Å; I444-M549 HydrophobicContact CG2-CE 4.18Å; I444-T551 HydrophobicContact CG1-CG2 4.37Å
445L74.6Confident72.8Confident26 Ų2659.1 Ų59.114%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-92.3-29.4-176.8-159.8125000112.5R427 I434 T443 I550 I552R427-L445 HydrophobicContact CB-CD2 4Å; I434-L445 HydrophobicContact CD1-CD1 3.84Å; I434-L445 HydrophobicContact CG1-CD1 4.18Å; I434-L445 HydrophobicContact CG2-CD1 4.27Å; T443-L445 PolarHBondContact O-N 3.08Å; L445-I550 PolarHBondContact N-O 3.29Å; L445-I552 HydrophobicContact CD1-CD1 3.75Å; L445-I552 HydrophobicContact CD1-CG1 3.95Å
446V79.3Confident74.3Confident0 Ų059.4 Ų59.40%032%0.315CS..EExtended strand (participates in β ladder)trans-140.5128.6169.9-174.40000108.9P424 E450 L451 I550P424-V446 HydrophobicContact CB-CG1 3.87Å; P424-V446 HydrophobicContact CB-CG2 4.44Å; P424-V446 WeakPolarHBondContact O-CG2 3.46Å; V446-E450 HydrophobicContact CG1-CB 3.88Å; V446-L451 HydrophobicContact CG1-CB 4Å; V446-I550 HydrophobicContact CB-CB 4.06Å; V446-I550 HydrophobicContact CB-CD1 4.24Å; V446-I550 HydrophobicContact CB-CG1 4.24Å; V446-I550 HydrophobicContact CG2-CB 4.32Å; V446-I550 HydrophobicContact CG2-CD1 4.2Å; V446-I550 PolarHBondContact N-O 2.96Å; V446-I550 PolarHBondContact O-N 2.91Å; V446-I550 VanDerWaalsContact O-N 3.08Å
447T84.3Confident75.9Confident62 Ų6251 Ų5138%0.3828%0.276SS..  trans-78.7160.7178.262.30000112.7I444 E449 E450 L451I444-T447 HydrophobicContact CG2-CG2 4.23Å; T447-E449 VanDerWaalsContact C-N 3.32Å; T447-E449 PolarHBondContact O-N 2.91Å; T447-E450 WeakPolarHBondContact CB-OE2 3.49Å; T447-E450 PolarHBondContact N-OE2 2.91Å; T447-E450 PolarHBondContact O-N 3.14Å; T447-E450 VanDerWaalsContact OG1-CG 3.27Å; T447-E450 WeakPolarHBondContact OG1-CG 3.25Å; T447-E450 PolarHBondContact OG1-N 3.28Å; T447-E450 PolarHBondContact OG1-OE2 3.49Å; T447-L451 PolarHBondContact O-N 3.2Å
448E86.4Confident77.8Confident35 Ų3547 Ų4716%0.16425%0.248CC..Hα-helixtrans-55.1-44.7176.5-179172.8-158.200112.3L451 S452 A543 Q545 G546 G547 I548E448-L451 PolarHBondContact O-N 3.11Å; E448-S452 WeakPolarHBondContact O-CB 3.43Å; E448-S452 PolarHBondContact O-N 3.42Å; E448-A543 HydrophobicContact CB-CB 3.82Å; E448-A543 HydrophobicContact CG-CB 3.81Å; E448-A543 VanDerWaalsContact OE2-CB 3.23Å; E448-A543 WeakPolarHBondContact OE2-CB 3.43Å; E448-Q545 VanDerWaalsContact OE1-C 3.28Å; E448-Q545 WeakPolarHBondContact OE1-CA 3.24Å; E448-Q545 WeakPolarHBondContact OE1-CB 3.24Å; E448-Q545 PolarHBondContact OE1-N 2.77Å; E448-Q545 PolarHBondContact OE2-N 2.88Å; E448-G546 PolarHBondContact OE1-N 3.26Å; E448-G547 WeakPolarHBondContact OE1-CA 3.44Å; E448-G547 PolarHBondContact OE1-N 3.48Å; E448-I548 WeakPolarHBondContact CA-O 3.41Å
449E84.1Confident79.5Confident120 Ų12045.6 Ų45.656%0.56124%0.239SC*.Hα-helixtrans-65.7-42.2179-66.5-171.9-158.600112.9T447 R453T447-E449 VanDerWaalsContact C-N 3.32Å; T447-E449 PolarHBondContact O-N 2.91Å; E449-R453 VanDerWaalsContact O-CB 3.31Å; E449-R453 WeakPolarHBondContact O-CB 3.38Å; E449-R453 WeakPolarHBondContact O-CG 3.39Å; E449-R453 PolarHBondContact O-N 3.29Å; E449-R453 IonicContact OE2-CZ 3.36Å; E449-R453 IonicContact OE2-NH1 3.42Å; E449-R453 PolarHBondContact OE2-NH1 2.96Å; E449-R453 IonicContact OE2-NH2 3.89Å; E449-R453 PolarHBondContact OE2-NH2 2.92Å
450E84.9Confident81Confident63 Ų6342.7 Ų42.729%0.29422%0.224SC..Hα-helixtrans-64.2-43178.3-74.6170.2116.100111.4R427 V446 T447 C454R427-E450 IonicContact CZ-OE1 3.04Å; R427-E450 IonicContact NH1-OE1 3.1Å; R427-E450 PolarHBondContact NH1-OE1 3.04Å; R427-E450 IonicContact NH2-OE1 3.12Å; V446-E450 HydrophobicContact CG1-CB 3.88Å; T447-E450 WeakPolarHBondContact CB-OE2 3.49Å; T447-E450 PolarHBondContact N-OE2 2.91Å; T447-E450 PolarHBondContact O-N 3.14Å; T447-E450 VanDerWaalsContact OG1-CG 3.27Å; T447-E450 WeakPolarHBondContact OG1-CG 3.25Å; T447-E450 PolarHBondContact OG1-N 3.28Å; T447-E450 PolarHBondContact OG1-OE2 3.49Å; E450-C454 WeakPolarHBondContact O-CB 3.42Å; E450-C454 PolarHBondContact O-N 3.42Å
451L86.4Confident82.3Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-71.2-45.1-177.9-172.160.8000111.8L425 V446 T447 E448 C454 I455 L486 I548 I550L425-L451 HydrophobicContact CD2-CD1 3.84Å; V446-L451 HydrophobicContact CG1-CB 4Å; T447-L451 PolarHBondContact O-N 3.2Å; E448-L451 PolarHBondContact O-N 3.11Å; L451-C454 WeakPolarHBondContact O-CB 3.08Å; L451-C454 PolarHBondContact O-N 2.97Å; L451-I455 HydrophobicContact CD1-CD1 3.99Å; L451-I455 HydrophobicContact CD1-CG1 4.47Å; L451-I455 HydrophobicContact CG-CD1 3.83Å; L451-I455 WeakPolarHBondContact O-CD1 3.29Å; L451-I455 WeakPolarHBondContact O-CG1 3.41Å; L451-I455 PolarHBondContact O-N 3.26Å; L451-L486 HydrophobicContact CD2-CD1 4.11Å; L451-I548 HydrophobicContact CD2-CB 3.96Å; L451-I548 HydrophobicContact CD2-CG2 3.96Å; L451-I548 WeakPolarHBondContact CD2-O 3.23Å; L451-I550 HydrophobicContact CD1-CD1 4.35Å; L451-I550 HydrophobicContact CD2-CD1 4.18Å; L451-I550 HydrophobicContact CD2-CG1 4.21Å
452S86.6Confident83.4Confident12 Ų1235.3 Ų35.38%0.08418%0.178CC..Hα-helixtrans-63.2-43.2176.2-74.80000112E448 C454 I455 E456 H496E448-S452 WeakPolarHBondContact O-CB 3.43Å; E448-S452 PolarHBondContact O-N 3.42Å; S452-C454 PolarHBondContact O-N 3.03Å; S452-I455 PolarHBondContact O-N 3.35Å; S452-E456 WeakPolarHBondContact O-CB 3.32Å; S452-E456 WeakPolarHBondContact O-CG 3.38Å; S452-E456 PolarHBondContact O-N 3.46Å; S452-H496 PolarHBondContact OG-CE1 3.47Å; S452-H496 PolarHBondContact OG-NE2 3.13Å
453R87.1Confident84.4Confident117 Ų11735.5 Ų35.544%0.44217%0.174SC..Hα-helixtrans-60.9-43.7174.6-73.7-179.9-170.2132.515.7112E449 I455 E456 D457E449-R453 VanDerWaalsContact O-CB 3.31Å; E449-R453 WeakPolarHBondContact O-CB 3.38Å; E449-R453 WeakPolarHBondContact O-CG 3.39Å; E449-R453 PolarHBondContact O-N 3.29Å; E449-R453 IonicContact OE2-CZ 3.36Å; E449-R453 IonicContact OE2-NH1 3.42Å; E449-R453 PolarHBondContact OE2-NH1 2.96Å; E449-R453 IonicContact OE2-NH2 3.89Å; E449-R453 PolarHBondContact OE2-NH2 2.92Å; R453-I455 PolarHBondContact O-N 3.25Å; R453-E456 PolarHBondContact O-N 3.46Å; R453-D457 WeakPolarHBondContact O-CB 3.23Å; R453-D457 VanDerWaalsContact O-CG 3.22Å; R453-D457 PolarHBondContact O-N 2.97Å
454C89.4Confident84.6Confident5 Ų537 Ų373%0.03418%0.183CC..Hα-helixtrans-56.8-50.2177.2176.70000112.1V421 P424 L425 E450 L451 S452 D457 V458V421-C454 PolarHBondContact O-SG 3.46Å; P424-C454 HydrophobicContact CB-CB 4.31Å; P424-C454 HydrophobicContact CG-CB 4.06Å; L425-C454 VanDerWaalsContact CD1-SG 3.58Å; E450-C454 WeakPolarHBondContact O-CB 3.42Å; E450-C454 PolarHBondContact O-N 3.42Å; L451-C454 WeakPolarHBondContact O-CB 3.08Å; L451-C454 PolarHBondContact O-N 2.97Å; S452-C454 PolarHBondContact O-N 3.03Å; C454-D457 PolarHBondContact O-N 2.89Å; C454-V458 WeakPolarHBondContact O-CG2 3.36Å; C454-V458 PolarHBondContact O-N 3.03Å
455I88.8Confident84.6Confident1 Ų133.5 Ų33.51%0.00517%0.17CC..Hα-helixtrans-68.9-39.8-177.8-63.1156.2000111L451 S452 R453 F459 L486 I497 L500 I504L451-I455 HydrophobicContact CD1-CD1 3.99Å; L451-I455 HydrophobicContact CD1-CG1 4.47Å; L451-I455 HydrophobicContact CG-CD1 3.83Å; L451-I455 WeakPolarHBondContact O-CD1 3.29Å; L451-I455 WeakPolarHBondContact O-CG1 3.41Å; L451-I455 PolarHBondContact O-N 3.26Å; S452-I455 PolarHBondContact O-N 3.35Å; R453-I455 PolarHBondContact O-N 3.25Å; I455-F459 WeakPolarHBondContact O-CB 3.27Å; I455-F459 PolarHBondContact O-N 3.23Å; I455-L486 HydrophobicContact CD1-CD2 3.36Å; I455-L486 HydrophobicContact CG1-CD2 4.25Å; I455-I497 HydrophobicContact CB-CG2 3.97Å; I455-I497 HydrophobicContact CD1-CB 4.32Å; I455-I497 HydrophobicContact CD1-CD1 3.97Å; I455-I497 HydrophobicContact CD1-CG2 3.87Å; I455-I497 HydrophobicContact CG2-CG2 3.78Å; I455-L500 HydrophobicContact CG2-CB 3.84Å; I455-L500 HydrophobicContact CG2-CD1 4.46Å; I455-I504 HydrophobicContact CG2-CD1 4.11Å
456E87.6Confident84.9Confident71 Ų7136.3 Ų36.333%0.33219%0.185SC..Hα-helixtrans-59.2-44.5172-84.4-167.8-150.700112.3S452 R453 F459 K460 L500S452-E456 WeakPolarHBondContact O-CB 3.32Å; S452-E456 WeakPolarHBondContact O-CG 3.38Å; S452-E456 PolarHBondContact O-N 3.46Å; R453-E456 PolarHBondContact O-N 3.46Å; E456-F459 WeakPolarHBondContact O-CB 3.43Å; E456-F459 PolarHBondContact O-N 3.03Å; E456-K460 WeakPolarHBondContact O-CB 3.31Å; E456-K460 WeakPolarHBondContact O-CD 3.19Å; E456-K460 WeakPolarHBondContact O-CG 3.35Å; E456-K460 PolarHBondContact O-N 3.07Å; E456-K460 WeakPolarHBondContact OE2-CE 3.38Å; E456-K460 IonicContact OE2-NZ 3.07Å; E456-K460 PolarHBondContact OE2-NZ 3.2Å; E456-L500 HydrophobicContact CG-CD1 3.94Å
457D87.8Confident84.8Confident11 Ų1139.5 Ų39.56%0.05920%0.2CC..Hα-helixtrans-71.2-39.4-177.7-69.7-11.1000111.9F383 H384 V421 R453 C454 F459 K460 V461F383-D457 VanDerWaalsContact CB-OD1 3.3Å; F383-D457 WeakPolarHBondContact CB-OD1 3.34Å; H384-D457 IonicContact CD2-OD2 3.77Å; H384-D457 IonicContact CE1-OD1 3.66Å; H384-D457 PolarHBondContact CE1-OD1 2.68Å; H384-D457 IonicContact CE1-OD2 3.09Å; H384-D457 PolarHBondContact CE1-OD2 3.17Å; H384-D457 VanDerWaalsContact NE2-CG 3.26Å; H384-D457 IonicContact NE2-OD1 3.62Å; H384-D457 PolarHBondContact NE2-OD1 3.43Å; H384-D457 IonicContact NE2-OD2 3.31Å; H384-D457 PolarHBondContact NE2-OD2 3.2Å; V421-D457 HydrophobicContact CG1-CB 4.15Å; R453-D457 WeakPolarHBondContact O-CB 3.23Å; R453-D457 VanDerWaalsContact O-CG 3.22Å; R453-D457 PolarHBondContact O-N 2.97Å; C454-D457 PolarHBondContact O-N 2.89Å; D457-F459 VanDerWaalsContact C-N 3.31Å; D457-F459 PolarHBondContact O-N 2.88Å; D457-K460 PolarHBondContact O-N 3.47Å; D457-K460 IonicContact OD1-NZ 2.69Å; D457-K460 PolarHBondContact OD1-NZ 3.33Å; D457-V461 WeakPolarHBondContact O-CB 3.4Å; D457-V461 WeakPolarHBondContact O-CG2 3.21Å; D457-V461 PolarHBondContact O-N 3.18Å
458V88.6Confident84.4Confident1 Ų140.2 Ų40.21%0.00621%0.206CC..Hα-helixtrans-59.5-43.3169.5174.70000110.3V421 L422 C454 V461 Y462 L476 I504V421-V458 HydrophobicContact CG1-CG2 3.84Å; L422-V458 HydrophobicContact CD2-CG2 3.76Å; C454-V458 WeakPolarHBondContact O-CG2 3.36Å; C454-V458 PolarHBondContact O-N 3.03Å; V458-V461 PolarHBondContact O-N 3.1Å; V458-Y462 HydrophobicContact CB-CD2 4.39Å; V458-Y462 HydrophobicContact CG1-CD2 3.82Å; V458-Y462 HydrophobicContact CG1-CE2 4.13Å; V458-Y462 HydrophobicContact CG1-CG 4.31Å; V458-Y462 VanDerWaalsContact O-CB 3.29Å; V458-Y462 WeakPolarHBondContact O-CB 3.4Å; V458-Y462 WeakPolarHBondContact O-CD2 3.2Å; V458-Y462 PolarHBondContact O-N 3.25Å; V458-L476 HydrophobicContact CG1-CD1 4.28Å; V458-I504 HydrophobicContact CB-CD1 4.17Å; V458-I504 HydrophobicContact CG1-CD1 3.78Å; V458-I504 HydrophobicContact CG1-CG1 4.17Å; V458-I504 HydrophobicContact CG1-CG2 4.05Å
459F88Confident84.2Confident36 Ų3640.1 Ų40.116%0.15821%0.206CC..Iπ-helixtrans-61.9-47.9175.4-179.3-97.5000112.7I455 E456 D457 V461 V463 V464 L500 E503 I504I455-F459 WeakPolarHBondContact O-CB 3.27Å; I455-F459 PolarHBondContact O-N 3.23Å; E456-F459 WeakPolarHBondContact O-CB 3.43Å; E456-F459 PolarHBondContact O-N 3.03Å; D457-F459 VanDerWaalsContact C-N 3.31Å; D457-F459 PolarHBondContact O-N 2.88Å; F459-V461 VanDerWaalsContact C-N 3.32Å; F459-V461 PolarHBondContact O-N 3.04Å; F459-V463 HydrophobicContact CD2-CB 3.83Å; F459-V463 HydrophobicContact CD2-CG1 4.3Å; F459-V463 HydrophobicContact CD2-CG2 3.71Å; F459-V463 HydrophobicContact CE2-CB 3.79Å; F459-V463 HydrophobicContact CE2-CG1 3.75Å; F459-V463 HydrophobicContact CE2-CG2 3.99Å; F459-V463 HydrophobicContact CG-CB 4.49Å; F459-V463 HydrophobicContact CZ-CB 4.42Å; F459-V463 HydrophobicContact CZ-CG1 4.26Å; F459-V463 PolarHBondContact O-N 2.9Å; F459-V463 VanDerWaalsContact O-N 3.08Å; F459-V464 HydrophobicContact CD1-CG2 4.05Å; F459-V464 HydrophobicContact CE1-CG2 3.68Å; F459-V464 HydrophobicContact CZ-CG2 4.29Å; F459-V464 PolarHBondContact O-N 3.06Å; F459-V464 VanDerWaalsContact O-N 3.15Å; F459-L500 HydrophobicContact CB-CD2 4.31Å; F459-L500 HydrophobicContact CD1-CD2 3.76Å; F459-L500 HydrophobicContact CD2-CB 4.38Å; F459-L500 HydrophobicContact CD2-CD2 3.83Å; F459-L500 HydrophobicContact CE1-CD2 3.97Å; F459-L500 HydrophobicContact CE2-CD2 4.05Å; F459-L500 HydrophobicContact CG-CD2 3.69Å; F459-L500 HydrophobicContact CZ-CD2 4.11Å; F459-E503 HydrophobicContact CD2-CB 4.3Å; F459-E503 HydrophobicContact CE2-CB 3.76Å; F459-E503 HydrophobicContact CE2-CG 4.41Å; F459-E503 VanDerWaalsContact CE2-OE2 3.25Å; F459-E503 WeakPolarHBondContact CE2-OE2 3.36Å; F459-E503 WeakPolarHBondContact CZ-OE2 3.48Å; F459-I504 HydrophobicContact CB-CD1 4.12Å; F459-I504 HydrophobicContact CB-CG1 4.31Å; F459-I504 HydrophobicContact CD2-CG1 4.31Å
460K87.4Confident84.1Confident19 Ų1939.2 Ų39.28%0.08321%0.209CC..Iπ-helixtrans-65-30-179.4-68.2162.2-167164.30113.2F383 Q395 T399 E456 D457F383-K460 HydrophobicContact CB-CD 3.99Å; F383-K460 HydrophobicContact CD1-CB 4.01Å; F383-K460 HydrophobicContact CD1-CD 3.86Å; F383-K460 HydrophobicContact CD1-CG 4.49Å; F383-K460 HydrophobicContact CE1-CB 4.05Å; F383-K460 HydrophobicContact CG-CD 4.19Å; F383-K460 PolarHBondContact O-NZ 3.37Å; Q395-K460 HydrophobicContact CG-CB 4.49Å; Q395-K460 HydrophobicContact CG-CG 4.32Å; T399-K460 WeakPolarHBondContact CG2-O 3.47Å; T399-K460 PolarHBondContact OG1-O 3.1Å; E456-K460 WeakPolarHBondContact O-CB 3.31Å; E456-K460 WeakPolarHBondContact O-CD 3.19Å; E456-K460 WeakPolarHBondContact O-CG 3.35Å; E456-K460 PolarHBondContact O-N 3.07Å; E456-K460 WeakPolarHBondContact OE2-CE 3.38Å; E456-K460 IonicContact OE2-NZ 3.07Å; E456-K460 PolarHBondContact OE2-NZ 3.2Å; D457-K460 PolarHBondContact O-N 3.47Å; D457-K460 IonicContact OD1-NZ 2.69Å; D457-K460 PolarHBondContact OD1-NZ 3.33Å
461V85.4Confident84Confident2 Ų238.2 Ų38.21%0.01221%0.207CC..Iπ-helixtrans-86.3-50.3177.9170.60000111.6F383 F402 D457 V458 F459 G465F383-V461 HydrophobicContact CE1-CG2 4.37Å; F383-V461 HydrophobicContact CE2-CG2 3.94Å; F383-V461 HydrophobicContact CZ-CG2 3.55Å; F402-V461 HydrophobicContact CB-CG2 4.49Å; F402-V461 HydrophobicContact CD1-CG1 3.6Å; F402-V461 HydrophobicContact CD1-CG2 4.34Å; F402-V461 HydrophobicContact CD2-CG1 4.47Å; F402-V461 HydrophobicContact CD2-CG2 3.74Å; F402-V461 HydrophobicContact CE1-CG1 3.69Å; F402-V461 HydrophobicContact CE2-CG1 4.5Å; F402-V461 HydrophobicContact CE2-CG2 3.96Å; F402-V461 HydrophobicContact CG-CG1 4.04Å; F402-V461 HydrophobicContact CG-CG2 3.95Å; F402-V461 HydrophobicContact CZ-CG1 4.15Å; F402-V461 HydrophobicContact CZ-CG2 4.38Å; D457-V461 WeakPolarHBondContact O-CB 3.4Å; D457-V461 WeakPolarHBondContact O-CG2 3.21Å; D457-V461 PolarHBondContact O-N 3.18Å; V458-V461 PolarHBondContact O-N 3.1Å; F459-V461 VanDerWaalsContact C-N 3.32Å; F459-V461 PolarHBondContact O-N 3.04Å; V461-G465 WeakPolarHBondContact O-CA 3.24Å; V461-G465 PolarHBondContact O-N 3.24Å
462Y83.5Confident83.9Confident1 Ų138.2 Ų38.20%0.00421%0.207CC..Iπ-helixtrans-85.5-56.6-168.7-68.3-112.4000111.5L418 V458 N466 L472 M473 S475 L476 W507L418-Y462 VanDerWaalsContact CD2-OH 3.26Å; L418-Y462 WeakPolarHBondContact CD2-OH 3.34Å; V458-Y462 HydrophobicContact CB-CD2 4.39Å; V458-Y462 HydrophobicContact CG1-CD2 3.82Å; V458-Y462 HydrophobicContact CG1-CE2 4.13Å; V458-Y462 HydrophobicContact CG1-CG 4.31Å; V458-Y462 VanDerWaalsContact O-CB 3.29Å; V458-Y462 WeakPolarHBondContact O-CB 3.4Å; V458-Y462 WeakPolarHBondContact O-CD2 3.2Å; V458-Y462 PolarHBondContact O-N 3.25Å; Y462-N466 WeakPolarHBondContact O-CA 3.21Å; Y462-N466 PolarHBondContact O-N 3.13Å; Y462-L472 HydrophobicContact CD1-CB 4.31Å; Y462-L472 HydrophobicContact CE1-CB 3.75Å; Y462-L472 WeakPolarHBondContact CE1-O 3.45Å; Y462-M473 HydrophobicContact CD1-CE 4.18Å; Y462-M473 HydrophobicContact CE1-CE 4.35Å; Y462-S475 PolarHBondContact OH-OG 3.2Å; Y462-L476 HydrophobicContact CD1-CD2 3.79Å; Y462-L476 HydrophobicContact CE1-CB 3.88Å; Y462-L476 HydrophobicContact CE1-CD2 3.72Å; Y462-L476 HydrophobicContact CE1-CG 4.31Å; Y462-L476 HydrophobicContact CG-CD2 4.47Å; Y462-W507 HydrophobicContact CD1-CH2 4.28Å; Y462-W507 AromaticContact CD1-CZ3 3.78Å; Y462-W507 HydrophobicContact CD1-CZ3 3.78Å; Y462-W507 HydrophobicContact CG-CZ3 4.31Å; Y462-W507 VanDerWaalsContact O-CE2 3.29Å; Y462-W507 WeakPolarHBondContact O-CZ2 3.28Å
463V81.8Confident83.7Confident26 Ų2638.3 Ų38.316%0.15821%0.207CC..Iπ-helixtrans-74.2-49.7-175.4-174.10000111.2F459 I504 W507F459-V463 HydrophobicContact CD2-CB 3.83Å; F459-V463 HydrophobicContact CD2-CG1 4.3Å; F459-V463 HydrophobicContact CD2-CG2 3.71Å; F459-V463 HydrophobicContact CE2-CB 3.79Å; F459-V463 HydrophobicContact CE2-CG1 3.75Å; F459-V463 HydrophobicContact CE2-CG2 3.99Å; F459-V463 HydrophobicContact CG-CB 4.49Å; F459-V463 HydrophobicContact CZ-CB 4.42Å; F459-V463 HydrophobicContact CZ-CG1 4.26Å; F459-V463 PolarHBondContact O-N 2.9Å; F459-V463 VanDerWaalsContact O-N 3.08Å; V463-I504 HydrophobicContact CG2-CG1 3.95Å; V463-W507 HydrophobicContact CG2-CB 4.07Å; V463-W507 HydrophobicContact CG2-CG 4.32Å
464V79.9Confident83.6Confident76 Ų7636.5 Ų36.546%0.46121%0.205SC..THydrogen-bonded Turntrans-73.2-31.9-178.8-178.70000111.9F459F459-V464 HydrophobicContact CD1-CG2 4.05Å; F459-V464 HydrophobicContact CE1-CG2 3.68Å; F459-V464 HydrophobicContact CZ-CG2 4.29Å; F459-V464 PolarHBondContact O-N 3.06Å; F459-V464 VanDerWaalsContact O-N 3.15Å
465G75.2Confident83.4Confident19 Ų1937.4 Ų37.420%0.19621%0.212CC..THydrogen-bonded Turntrans-74.2-35.8174.900000113.8V461 E467V461-G465 WeakPolarHBondContact O-CA 3.24Å; V461-G465 PolarHBondContact O-N 3.24Å; G465-E467 PolarHBondContact O-N 3.12Å; G465-E467 VanDerWaalsContact O-N 3.09Å
466N81.5Confident83.2Confident86 Ų8637.4 Ų37.446%0.4621%0.212SC..  trans52.728.3172.9-160.816.2000115.7Y462 W507Y462-N466 WeakPolarHBondContact O-CA 3.21Å; Y462-N466 PolarHBondContact O-N 3.13Å; N466-W507 PolarHBondContact OD1-NE1 3.02Å
467E76.8Confident83.1Confident66 Ų6636.6 Ų36.631%0.30821%0.21SC..  trans-105.3114.8172.5-74.5-154.3175.100111.6I403 R407 G465 L469I403-E467 HydrophobicContact CD1-CB 4.45Å; I403-E467 HydrophobicContact CD1-CG 4.47Å; I403-E467 HydrophobicContact CG2-CB 4.29Å; I403-E467 HydrophobicContact CG2-CG 4.23Å; I403-E467 WeakPolarHBondContact CG2-OE2 3.34Å; R407-E467 IonicContact CZ-OE2 3.76Å; R407-E467 IonicContact NE-OE2 3.15Å; R407-E467 IonicContact NH2-OE1 2.66Å; R407-E467 PolarHBondContact NH2-OE1 3.11Å; R407-E467 IonicContact NH2-OE2 2.65Å; R407-E467 PolarHBondContact NH2-OE2 3.2Å; G465-E467 PolarHBondContact O-N 3.12Å; G465-E467 VanDerWaalsContact O-N 3.09Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.25Å
468P75.8Confident83Confident77 Ų7738.2 Ų38.250%0.522%0.221SC..  trans-80.472.1-179.333.6-35.7000111.6K511P468-K511 HydrophobicContact CB-CB 4.33Å
469L82.3Confident82.8Confident33 Ų3338.2 Ų38.217%0.17322%0.221CC..  trans-76.9135.5171.1-62.8176.3000110.4I403 R407 E467 V471 L472 M473I403-L469 HydrophobicContact CG2-CD1 4.25Å; R407-L469 HydrophobicContact CB-CD1 4.45Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.25Å; L469-V471 VanDerWaalsContact C-N 3.28Å; L469-V471 PolarHBondContact O-N 3.37Å; L469-L472 HydrophobicContact CB-CB 4.41Å; L469-L472 HydrophobicContact CB-CD1 4Å; L469-L472 HydrophobicContact CB-CG 3.97Å; L469-L472 HydrophobicContact CD1-CD1 4.12Å; L469-L472 HydrophobicContact CD1-CG 4.48Å; L469-L472 HydrophobicContact CG-CD1 4.32Å; L469-L472 WeakPolarHBondContact O-CB 3.31Å; L469-L472 PolarHBondContact O-N 2.92Å; L469-M473 PolarHBondContact O-N 2.99Å; L469-M473 VanDerWaalsContact O-N 3.1Å
470T81.9Confident82.7Confident101 Ų10136.6 Ų36.662%0.6221%0.214SC*.Hα-helixtrans-55.4-41.7-178.751.10000112.8L472 M473 D474T470-L472 VanDerWaalsContact C-N 3.3Å; T470-L472 PolarHBondContact O-N 3.08Å; T470-M473 WeakPolarHBondContact O-CB 3.22Å; T470-M473 PolarHBondContact O-N 3.24Å; T470-D474 WeakPolarHBondContact O-CB 3.34Å; T470-D474 PolarHBondContact O-N 3.41Å
471V83.1Confident82.5Confident42 Ų4236 Ų3626%0.25521%0.213SC..Hα-helixtrans-64.2-33.4179.2-178.80000112.5P410 L418 L469 S475P410-V471 HydrophobicContact CB-CB 4.5Å; P410-V471 HydrophobicContact CB-CG1 4.33Å; P410-V471 HydrophobicContact CB-CG2 3.68Å; L418-V471 HydrophobicContact CD1-CG1 3.98Å; L469-V471 VanDerWaalsContact C-N 3.28Å; L469-V471 PolarHBondContact O-N 3.37Å; V471-S475 VanDerWaalsContact O-CB 3.31Å; V471-S475 WeakPolarHBondContact O-CB 3.35Å; V471-S475 PolarHBondContact O-N 2.81Å; V471-S475 PolarHBondContact O-OG 3.17Å
472L83Confident82.5Confident1 Ų135.9 Ų35.91%0.00521%0.213CC..Hα-helixtrans-69.8-42.1172.1-61.3179.4000110.3F402 L418 Y462 L469 T470 S475 L476F402-L472 HydrophobicContact CD1-CD2 4.44Å; F402-L472 HydrophobicContact CE1-CD2 3.86Å; L418-L472 HydrophobicContact CD1-CD2 4.22Å; L418-L472 HydrophobicContact CD2-CD2 3.81Å; L418-L472 HydrophobicContact CG-CD2 4.49Å; Y462-L472 HydrophobicContact CD1-CB 4.31Å; Y462-L472 HydrophobicContact CE1-CB 3.75Å; Y462-L472 WeakPolarHBondContact CE1-O 3.45Å; L469-L472 HydrophobicContact CB-CB 4.41Å; L469-L472 HydrophobicContact CB-CD1 4Å; L469-L472 HydrophobicContact CB-CG 3.97Å; L469-L472 HydrophobicContact CD1-CD1 4.12Å; L469-L472 HydrophobicContact CD1-CG 4.48Å; L469-L472 HydrophobicContact CG-CD1 4.32Å; L469-L472 WeakPolarHBondContact O-CB 3.31Å; L469-L472 PolarHBondContact O-N 2.92Å; T470-L472 VanDerWaalsContact C-N 3.3Å; T470-L472 PolarHBondContact O-N 3.08Å; L472-S475 PolarHBondContact O-OG 3.5Å; L472-L476 PolarHBondContact O-N 2.89Å
473M84.1Confident82.7Confident14 Ų1436 Ų367%0.06921%0.213CC..Hα-helixtrans-66.4-49.3-179.3-62.9-56.685.900111.9Y462 L469 T470 S475 L476 L477 W507 I508 L512Y462-M473 HydrophobicContact CD1-CE 4.18Å; Y462-M473 HydrophobicContact CE1-CE 4.35Å; L469-M473 PolarHBondContact O-N 2.99Å; L469-M473 VanDerWaalsContact O-N 3.1Å; T470-M473 WeakPolarHBondContact O-CB 3.22Å; T470-M473 PolarHBondContact O-N 3.24Å; M473-S475 VanDerWaalsContact C-N 3.27Å; M473-S475 PolarHBondContact O-N 3.11Å; M473-L476 PolarHBondContact O-N 3.13Å; M473-L477 WeakPolarHBondContact O-CB 3.14Å; M473-L477 PolarHBondContact O-N 3.48Å; M473-W507 HydrophobicContact CE-CH2 3.59Å; M473-W507 HydrophobicContact CE-CZ3 3.38Å; M473-W507 HydrophobicContact SD-CZ3 4.28Å; M473-I508 HydrophobicContact CE-CD1 4.25Å; M473-I508 HydrophobicContact SD-CD1 3.92Å; M473-I508 HydrophobicContact SD-CG1 4Å; M473-L512 HydrophobicContact CB-CD1 4.1Å; M473-L512 HydrophobicContact CG-CD1 4.39Å; M473-L512 HydrophobicContact SD-CD1 4.35Å
474D85Confident82.9Confident78 Ų7834.8 Ų34.842%0.41721%0.206SC..Hα-helixtrans-70.7-23.1-176.7-64.1-38.2000112T470 P478 K516T470-D474 WeakPolarHBondContact O-CB 3.34Å; T470-D474 PolarHBondContact O-N 3.41Å; D474-P478 WeakPolarHBondContact O-CD 3.33Å; D474-K516 IonicContact OD1-NZ 3.12Å; D474-K516 PolarHBondContact OD1-NZ 3.43Å
475S84.4Confident83.2Confident25 Ų2532.3 Ų32.318%0.17519%0.19CC..Hα-helixtrans-79.1-32.4171.654.40000113.8Y462 V471 L472 M473 P478Y462-S475 PolarHBondContact OH-OG 3.2Å; V471-S475 VanDerWaalsContact O-CB 3.31Å; V471-S475 WeakPolarHBondContact O-CB 3.35Å; V471-S475 PolarHBondContact O-N 2.81Å; V471-S475 PolarHBondContact O-OG 3.17Å; L472-S475 PolarHBondContact O-OG 3.5Å; M473-S475 VanDerWaalsContact C-N 3.27Å; M473-S475 PolarHBondContact O-N 3.11Å; S475-P478 WeakPolarHBondContact O-CD 3.34Å
476L85.3Confident83.7Confident0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-82.5-28.4179.3-167.559.6000112.5L422 V458 Y462 L472 M473 P478 V479 L480 L483 I504 I508L422-L476 HydrophobicContact CD2-CD1 4.13Å; V458-L476 HydrophobicContact CG1-CD1 4.28Å; Y462-L476 HydrophobicContact CD1-CD2 3.79Å; Y462-L476 HydrophobicContact CE1-CB 3.88Å; Y462-L476 HydrophobicContact CE1-CD2 3.72Å; Y462-L476 HydrophobicContact CE1-CG 4.31Å; Y462-L476 HydrophobicContact CG-CD2 4.47Å; L472-L476 PolarHBondContact O-N 2.89Å; M473-L476 PolarHBondContact O-N 3.13Å; L476-P478 VanDerWaalsContact C-CD 3.46Å; L476-V479 HydrophobicContact CD1-CB 4.5Å; L476-V479 PolarHBondContact O-N 3.16Å; L476-L480 HydrophobicContact CD2-CD2 4.27Å; L476-L480 HydrophobicContact CG-CD2 3.88Å; L476-L480 WeakPolarHBondContact O-CG 3.28Å; L476-L480 PolarHBondContact O-N 2.78Å; L476-L483 HydrophobicContact CD1-CD1 3.79Å; L476-I504 HydrophobicContact CD2-CG2 4.13Å; L476-I508 HydrophobicContact CB-CD1 4.03Å; L476-I508 HydrophobicContact CD2-CD1 3.8Å; L476-I508 HydrophobicContact CG-CD1 4.12Å
477L85.4Confident84Confident54 Ų5427.4 Ų27.428%0.28316%0.159SC..G310 helixtrans-49.5-44.9-177.9-171.568000114.9M473 V479 L480 L512M473-L477 WeakPolarHBondContact O-CB 3.14Å; M473-L477 PolarHBondContact O-N 3.48Å; L477-V479 PolarHBondContact O-N 3.16Å; L477-L480 HydrophobicContact CD1-CD1 4.06Å; L477-L512 HydrophobicContact CD1-CD2 4.03Å
478P83.9Confident84.4Confident46 Ų4624.6 Ų24.630%0.29915%0.147SC..G310 helixtrans-69.3-19.8178.5-17.232.7000113.7L429 D474 S475 L476 P532L429-P478 WeakPolarHBondContact CD1-O 3.29Å; D474-P478 WeakPolarHBondContact O-CD 3.33Å; S475-P478 WeakPolarHBondContact O-CD 3.34Å; L476-P478 VanDerWaalsContact C-CD 3.46Å; P478-P532 HydrophobicContact CB-CG 4.5Å
479V85.7Confident84.8Confident0 Ų023 Ų230%013%0.132CC..G310 helixtrans-97.1-14-173.71730000111.9L425 L429 L476 L477 G481 V482 L483L425-V479 HydrophobicContact CB-CG1 3.54Å; L425-V479 HydrophobicContact CB-CG2 4.39Å; L425-V479 HydrophobicContact CD1-CG1 3.48Å; L425-V479 VanDerWaalsContact CD1-CG1 3.48Å; L425-V479 HydrophobicContact CG-CG1 4.05Å; L429-V479 HydrophobicContact CD1-CG2 3.98Å; L476-V479 HydrophobicContact CD1-CB 4.5Å; L476-V479 PolarHBondContact O-N 3.16Å; L477-V479 PolarHBondContact O-N 3.16Å; V479-G481 VanDerWaalsContact C-N 3.29Å; V479-G481 PolarHBondContact O-N 3.4Å; V479-V482 PolarHBondContact O-N 3.01Å; V479-L483 HydrophobicContact CG1-CD1 4.1Å; V479-L483 HydrophobicContact CG1-CG 4.1Å; V479-L483 PolarHBondContact O-N 3.42Å; V479-L483 VanDerWaalsContact O-N 3.07Å
480L84.9Confident84.9Confident2 Ų221.5 Ų21.51%0.0112%0.124CC..Hα-helixtrans-55.6-38.6-178.3-68.8-172.6000114L476 L477 V482 L483 F484 I508 F524L476-L480 HydrophobicContact CD2-CD2 4.27Å; L476-L480 HydrophobicContact CG-CD2 3.88Å; L476-L480 WeakPolarHBondContact O-CG 3.28Å; L476-L480 PolarHBondContact O-N 2.78Å; L477-L480 HydrophobicContact CD1-CD1 4.06Å; L480-V482 VanDerWaalsContact C-N 3.31Å; L480-V482 PolarHBondContact O-N 3.23Å; L480-L483 HydrophobicContact CD2-CD1 4.41Å; L480-L483 PolarHBondContact O-N 2.61Å; L480-F484 WeakPolarHBondContact O-CB 3.42Å; L480-F484 PolarHBondContact O-N 2.96Å; L480-I508 HydrophobicContact CD1-CD1 4.19Å; L480-I508 HydrophobicContact CD1-CG1 4.47Å; L480-I508 HydrophobicContact CD1-CG2 4.26Å; L480-I508 HydrophobicContact CD2-CD1 4.23Å; L480-I508 HydrophobicContact CD2-CG2 3.74Å; L480-F524 HydrophobicContact CB-CE1 3.85Å; L480-F524 HydrophobicContact CB-CZ 3.94Å; L480-F524 WeakPolarHBondContact O-CE1 3.26Å
481G83.4Confident84.8Confident7 Ų719.6 Ų19.67%0.07211%0.107CC..Hα-helixtrans-60.1-41.1176.800000112.3V479 L485V479-G481 VanDerWaalsContact C-N 3.29Å; V479-G481 PolarHBondContact O-N 3.4Å; G481-L485 VanDerWaalsContact O-CG 3.27Å; G481-L485 WeakPolarHBondContact O-CG 3.35Å; G481-L485 PolarHBondContact O-N 3.4Å; G481-L485 VanDerWaalsContact O-N 3.08Å
482V85.7Confident84.5Confident0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-69.5-41.7177.3-177.70000111L425 L429 V479 L480 F484 L485 L486 F540L425-V482 HydrophobicContact CD2-CG1 4.1Å; L429-V482 HydrophobicContact CD2-CG2 3.5Å; L429-V482 VanDerWaalsContact CD2-CG2 3.5Å; L429-V482 HydrophobicContact CG-CG2 4.03Å; V479-V482 PolarHBondContact O-N 3.01Å; L480-V482 VanDerWaalsContact C-N 3.31Å; L480-V482 PolarHBondContact O-N 3.23Å; V482-F484 PolarHBondContact O-N 3.07Å; V482-L485 PolarHBondContact O-N 3.49Å; V482-L486 WeakPolarHBondContact O-CB 3.39Å; V482-L486 PolarHBondContact O-N 3.04Å; V482-F540 HydrophobicContact CG1-CZ 4.18Å
483L87.1Confident83.9Confident2 Ų224.1 Ų24.11%0.0113%0.129CC..Hα-helixtrans-64.1-37.1176.4-72.8170.3000112.7L425 L476 V479 L480 Y487 I504 L505L425-L483 HydrophobicContact CD1-CD2 3.97Å; L425-L483 HydrophobicContact CD1-CG 4.36Å; L476-L483 HydrophobicContact CD1-CD1 3.79Å; V479-L483 HydrophobicContact CG1-CD1 4.1Å; V479-L483 HydrophobicContact CG1-CG 4.1Å; V479-L483 PolarHBondContact O-N 3.42Å; V479-L483 VanDerWaalsContact O-N 3.07Å; L480-L483 HydrophobicContact CD2-CD1 4.41Å; L480-L483 PolarHBondContact O-N 2.61Å; L483-Y487 WeakPolarHBondContact O-CB 3.49Å; L483-Y487 PolarHBondContact O-N 2.9Å; L483-I504 HydrophobicContact CD1-CG2 4.18Å; L483-L505 HydrophobicContact CB-CD2 4.29Å
484F87.7Confident83.4Confident1 Ų130.5 Ų30.50%0.00417%0.168CC..Hα-helixtrans-68.2-43.9174.7177.6-103.3000112.3L480 V482 L486 Y487 C488 L505 F524 R575 L579 L582L480-F484 WeakPolarHBondContact O-CB 3.42Å; L480-F484 PolarHBondContact O-N 2.96Å; V482-F484 PolarHBondContact O-N 3.07Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 3.46Å; F484-Y487 HydrophobicContact CD2-CD1 4.32Å; F484-Y487 HydrophobicContact CE2-CD1 4.3Å; F484-Y487 WeakPolarHBondContact O-CB 3.35Å; F484-Y487 PolarHBondContact O-N 3.42Å; F484-C488 VanDerWaalsContact CZ-SG 3.59Å; F484-C488 PolarHBondContact O-N 3.38Å; F484-C488 PolarHBondContact O-SG 2.94Å; F484-L505 HydrophobicContact CB-CD2 4.39Å; F484-L505 HydrophobicContact CD2-CD1 4.38Å; F484-F524 HydrophobicContact CB-CD1 3.7Å; F484-F524 HydrophobicContact CB-CD2 4.21Å; F484-F524 HydrophobicContact CB-CE1 3.78Å; F484-F524 HydrophobicContact CB-CE2 4.27Å; F484-F524 HydrophobicContact CB-CG 3.95Å; F484-F524 HydrophobicContact CB-CZ 4.07Å; F484-F524 HydrophobicContact CD1-CB 3.62Å; F484-F524 HydrophobicContact CD1-CD1 4.1Å; F484-F524 HydrophobicContact CD1-CD2 4.44Å; F484-F524 AromaticContact CD1-CG 3.82Å; F484-F524 HydrophobicContact CD1-CG 3.82Å; F484-F524 HydrophobicContact CD2-CB 4.33Å; F484-F524 AromaticContact CD2-CD2 3.82Å; F484-F524 HydrophobicContact CD2-CD2 3.82Å; F484-F524 HydrophobicContact CD2-CE2 4.29Å; F484-F524 HydrophobicContact CD2-CG 4.03Å; F484-F524 HydrophobicContact CE1-CB 3.75Å; F484-F524 HydrophobicContact CE1-CG 4.38Å; F484-F524 WeakPolarHBondContact CE1-O 3.48Å; F484-F524 HydrophobicContact CE2-CB 4.45Å; F484-F524 HydrophobicContact CE2-CD2 4.36Å; F484-F524 HydrophobicContact CG-CB 3.94Å; F484-F524 AromaticContact CG-CD1 3.89Å; F484-F524 HydrophobicContact CG-CD1 3.89Å; F484-F524 AromaticContact CG-CD2 3.88Å; F484-F524 HydrophobicContact CG-CD2 3.88Å; F484-F524 HydrophobicContact CG-CE1 4.38Å; F484-F524 HydrophobicContact CG-CE2 4.37Å; F484-F524 AromaticContact CG-CG 3.63Å; F484-F524 HydrophobicContact CG-CG 3.63Å; F484-F524 HydrophobicContact CZ-CB 4.18Å; F484-R575 HydrophobicContact CE1-CB 4.38Å; F484-R575 HydrophobicContact CE1-CG 4.46Å; F484-L579 HydrophobicContact CE2-CB 4.32Å; F484-L579 HydrophobicContact CE2-CD1 4.07Å; F484-L579 HydrophobicContact CZ-CB 3.91Å; F484-L579 HydrophobicContact CZ-CD1 4.19Å; F484-L582 HydrophobicContact CD2-CD2 4.29Å; F484-L582 HydrophobicContact CE2-CD2 4.37Å
485L84.8Confident83.1Confident25 Ų2527.6 Ų27.613%0.13115%0.154CC..Hα-helixtrans-63.9-37.8175.3-68.4171.1000111.8G481 V482 C488 F489 L534 F540 R575G481-L485 VanDerWaalsContact O-CG 3.27Å; G481-L485 WeakPolarHBondContact O-CG 3.35Å; G481-L485 PolarHBondContact O-N 3.4Å; G481-L485 VanDerWaalsContact O-N 3.08Å; V482-L485 PolarHBondContact O-N 3.49Å; L485-C488 WeakPolarHBondContact O-CB 3.34Å; L485-C488 PolarHBondContact O-N 3.18Å; L485-F489 PolarHBondContact O-N 2.87Å; L485-L534 HydrophobicContact CD1-CB 3.74Å; L485-F540 HydrophobicContact CB-CE2 3.91Å; L485-F540 HydrophobicContact CB-CZ 4.5Å; L485-R575 HydrophobicContact CD2-CG 4.29Å; L485-R575 VanDerWaalsContact CD2-CZ 3.48Å
486L86.6Confident83.1Confident1 Ų131 Ų311%0.00517%0.167CC..Hα-helixtrans-63.6-44.6172.6-172.173.2000111.1L451 I455 V482 F484 C488 F489 T490 F540 I548L451-L486 HydrophobicContact CD2-CD1 4.11Å; I455-L486 HydrophobicContact CD1-CD2 3.36Å; I455-L486 HydrophobicContact CG1-CD2 4.25Å; V482-L486 WeakPolarHBondContact O-CB 3.39Å; V482-L486 PolarHBondContact O-N 3.04Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 3.46Å; L486-C488 VanDerWaalsContact C-N 3.33Å; L486-C488 PolarHBondContact O-N 3.33Å; L486-F489 CarbonylContact O-C 3.56Å; L486-F489 WeakPolarHBondContact O-CB 3.49Å; L486-F489 PolarHBondContact O-N 3.02Å; L486-F489 VanDerWaalsContact O-N 3.1Å; L486-T490 HydrophobicContact CG-CG2 4.38Å; L486-T490 VanDerWaalsContact O-CG2 3.24Å; L486-T490 WeakPolarHBondContact O-CG2 3.39Å; L486-T490 PolarHBondContact O-N 3.24Å; L486-F540 HydrophobicContact CB-CE1 4.38Å; L486-F540 HydrophobicContact CB-CZ 4.15Å; L486-F540 HydrophobicContact CD1-CD1 3.71Å; L486-F540 HydrophobicContact CD1-CE1 3.61Å; L486-F540 HydrophobicContact CD1-CG 4.38Å; L486-F540 HydrophobicContact CD1-CZ 4.17Å; L486-I548 HydrophobicContact CD1-CB 4.29Å; L486-I548 HydrophobicContact CD1-CD1 3.61Å; L486-I548 HydrophobicContact CD1-CG2 3.84Å; L486-I548 HydrophobicContact CG-CD1 4.29Å
487Y87.1Confident83Confident0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-56.7-45.1174.1166.9-108.3000111.8L483 F484 F489 T490 K491 Q502 L505 H578L483-Y487 WeakPolarHBondContact O-CB 3.49Å; L483-Y487 PolarHBondContact O-N 2.9Å; F484-Y487 HydrophobicContact CD2-CD1 4.32Å; F484-Y487 HydrophobicContact CE2-CD1 4.3Å; F484-Y487 WeakPolarHBondContact O-CB 3.35Å; F484-Y487 PolarHBondContact O-N 3.42Å; Y487-F489 VanDerWaalsContact C-N 3.32Å; Y487-F489 PolarHBondContact O-N 3.31Å; Y487-T490 WeakPolarHBondContact CA-OG1 3.28Å; Y487-T490 PolarHBondContact O-N 3.28Å; Y487-T490 VanDerWaalsContact O-N 3.13Å; Y487-T490 PolarHBondContact O-OG1 3.46Å; Y487-K491 HydrophobicContact CD2-CG 4.48Å; Y487-K491 HydrophobicContact CE2-CG 4.03Å; Y487-K491 PolarHBondContact O-N 3.08Å; Y487-K491 WeakPolarHBondContact OH-CE 3.37Å; Y487-K491 PolarHBondContact OH-NZ 3.41Å; Y487-Q502 HydrophobicContact CD2-CB 4.11Å; Y487-Q502 HydrophobicContact CE2-CB 3.77Å; Y487-Q502 HydrophobicContact CE2-CG 3.97Å; Y487-L505 HydrophobicContact CD1-CD1 4.27Å; Y487-L505 HydrophobicContact CG-CD1 4.06Å; Y487-H578 HydrophobicContact CE1-CB 4.1Å
488C85.1Confident83.1Confident8 Ų834.6 Ų34.65%0.05418%0.177CC..Hα-helixtrans-57.4-43.7174.2-640000112F484 L485 L486 K491 Q492F484-C488 VanDerWaalsContact CZ-SG 3.59Å; F484-C488 PolarHBondContact O-N 3.38Å; F484-C488 PolarHBondContact O-SG 2.94Å; L485-C488 WeakPolarHBondContact O-CB 3.34Å; L485-C488 PolarHBondContact O-N 3.18Å; L486-C488 VanDerWaalsContact C-N 3.33Å; L486-C488 PolarHBondContact O-N 3.33Å; C488-K491 PolarHBondContact O-N 2.92Å; C488-Q492 PolarHBondContact O-N 2.97Å
489F84.3Confident83.3Confident44 Ų4435 Ų3519%0.19318%0.181CC..Hα-helixtrans-65.4-39.8175.4-169.6-89.4000112.3L485 L486 Y487 K491 Q492 S493 F540 A542 I548L485-F489 PolarHBondContact O-N 2.87Å; L486-F489 CarbonylContact O-C 3.56Å; L486-F489 WeakPolarHBondContact O-CB 3.49Å; L486-F489 PolarHBondContact O-N 3.02Å; L486-F489 VanDerWaalsContact O-N 3.1Å; Y487-F489 VanDerWaalsContact C-N 3.32Å; Y487-F489 PolarHBondContact O-N 3.31Å; F489-K491 PolarHBondContact O-N 3.46Å; F489-Q492 PolarHBondContact O-N 3.03Å; F489-S493 PolarHBondContact O-N 3.28Å; F489-S493 PolarHBondContact O-OG 2.9Å; F489-F540 HydrophobicContact CB-CD2 4.4Å; F489-F540 HydrophobicContact CD1-CB 4.15Å; F489-F540 HydrophobicContact CD2-CB 3.73Å; F489-F540 HydrophobicContact CE1-CB 4.27Å; F489-F540 HydrophobicContact CE2-CB 3.86Å; F489-F540 WeakPolarHBondContact CE2-O 3.43Å; F489-F540 HydrophobicContact CG-CB 3.87Å; F489-F540 HydrophobicContact CG-CG 4.46Å; F489-F540 HydrophobicContact CZ-CB 4.12Å; F489-A542 HydrophobicContact CZ-CB 4.5Å; F489-I548 HydrophobicContact CD1-CD1 3.68Å; F489-I548 HydrophobicContact CD1-CG1 4Å; F489-I548 HydrophobicContact CD1-CG2 4.28Å; F489-I548 HydrophobicContact CE1-CD1 4.21Å; F489-I548 HydrophobicContact CE1-CG1 4.01Å; F489-I548 HydrophobicContact CE1-CG2 4.21Å
490T83.8Confident83.4Confident0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-69.5-12.9176.568.20000113.9L486 Y487 S493 S495 R498 I548L486-T490 HydrophobicContact CG-CG2 4.38Å; L486-T490 VanDerWaalsContact O-CG2 3.24Å; L486-T490 WeakPolarHBondContact O-CG2 3.39Å; L486-T490 PolarHBondContact O-N 3.24Å; Y487-T490 WeakPolarHBondContact CA-OG1 3.28Å; Y487-T490 PolarHBondContact O-N 3.28Å; Y487-T490 VanDerWaalsContact O-N 3.13Å; Y487-T490 PolarHBondContact O-OG1 3.46Å; T490-S493 CarbonylContact C-O 3.55Å; T490-S495 WeakPolarHBondContact CA-OG 3.46Å; T490-S495 VanDerWaalsContact CB-OG 3.24Å; T490-S495 WeakPolarHBondContact CB-OG 3.26Å; T490-S495 WeakPolarHBondContact CG2-OG 3.37Å; T490-R498 WeakPolarHBondContact O-CD 3.32Å; T490-I548 HydrophobicContact CG2-CD1 3.43Å; T490-I548 VanDerWaalsContact CG2-CD1 3.43Å
491K80.7Confident83.6Confident61 Ų6136.3 Ų36.327%0.26519%0.188SC..Hα-helixtrans-87.6-33.2172.1-80.7-90.2-174143.70111.9Y487 C488 F489 S493 H578 D581Y487-K491 HydrophobicContact CD2-CG 4.48Å; Y487-K491 HydrophobicContact CE2-CG 4.03Å; Y487-K491 PolarHBondContact O-N 3.08Å; Y487-K491 WeakPolarHBondContact OH-CE 3.37Å; Y487-K491 PolarHBondContact OH-NZ 3.41Å; C488-K491 PolarHBondContact O-N 2.92Å; F489-K491 PolarHBondContact O-N 3.46Å; K491-S493 VanDerWaalsContact C-N 3.35Å; K491-H578 WeakPolarHBondContact CB-NE2 3.4Å; K491-D581 IonicContact NZ-OD2 3.57Å; K491-D581 PolarHBondContact NZ-OD2 3.4Å
492Q77Confident83.9Confident108 Ų10837.6 Ų37.651%0.50519%0.192SC..Hα-helixtrans-78.7-15.9173.9-65.5176.1-19.700113.3C488 F489C488-Q492 PolarHBondContact O-N 2.97Å; F489-Q492 PolarHBondContact O-N 3.03Å
493S70.8Confident84.1Confident30 Ų3041.6 Ų41.621%0.2121%0.211CC..SBendtrans-130.3146.9-177.1620000112.6F489 T490 K491 S495F489-S493 PolarHBondContact O-N 3.28Å; F489-S493 PolarHBondContact O-OG 2.9Å; T490-S493 CarbonylContact C-O 3.55Å; K491-S493 VanDerWaalsContact C-N 3.35Å; S493-S495 PolarHBondContact O-N 2.84Å; S493-S495 VanDerWaalsContact O-N 3.1Å
494V72.9Confident84.2Confident149 Ų14941.5 Ų41.590%0.90321%0.21SC*.  trans-76.5101.4177.3-1760000109.1
495S79.7Confident84.2Confident17 Ų1741.4 Ų41.412%0.11921%0.21CC..  trans-137144.6-176.958.10000113.1T490 S493 I497 G546T490-S495 WeakPolarHBondContact CA-OG 3.46Å; T490-S495 VanDerWaalsContact CB-OG 3.24Å; T490-S495 WeakPolarHBondContact CB-OG 3.26Å; T490-S495 WeakPolarHBondContact CG2-OG 3.37Å; S493-S495 PolarHBondContact O-N 2.84Å; S493-S495 VanDerWaalsContact O-N 3.1Å; S495-I497 VanDerWaalsContact C-N 3.29Å; S495-I497 PolarHBondContact O-N 3.36Å; S495-G546 WeakPolarHBondContact CA-O 3.48Å
496H83.1Confident84.4Confident97 Ų9742.3 Ų42.345%0.44921%0.214SC..THydrogen-bonded Turntrans-72.2-21.7-177.660.1-87.3000113.6S452 R498 G546S452-H496 PolarHBondContact OG-CE1 3.47Å; S452-H496 PolarHBondContact OG-NE2 3.13Å; H496-R498 VanDerWaalsContact C-N 3.35Å; H496-G546 PolarHBondContact ND1-O 3.26Å
497I84.6Confident84.6Confident0 Ų043.5 Ų43.50%022%0.219CC..THydrogen-bonded Turntrans-82.9-5.9-177.117.9176.1000114I455 S495 S499 L500 C501 I548I455-I497 HydrophobicContact CB-CG2 3.97Å; I455-I497 HydrophobicContact CD1-CB 4.32Å; I455-I497 HydrophobicContact CD1-CD1 3.97Å; I455-I497 HydrophobicContact CD1-CG2 3.87Å; I455-I497 HydrophobicContact CG2-CG2 3.78Å; S495-I497 VanDerWaalsContact C-N 3.29Å; S495-I497 PolarHBondContact O-N 3.36Å; I497-S499 PolarHBondContact O-N 3.31Å; I497-L500 HydrophobicContact CG2-CD1 4.11Å; I497-L500 PolarHBondContact O-N 3.34Å; I497-C501 PolarHBondContact O-N 3.05Å; I497-C501 PolarHBondContact O-SG 3.43Å; I497-I548 HydrophobicContact CD1-CB 4.23Å; I497-I548 HydrophobicContact CD1-CD1 3.94Å; I497-I548 HydrophobicContact CD1-CG1 4.1Å
498R86.7Confident84.5Confident128 Ų12843.5 Ų43.548%0.48322%0.219SC..Hα-helixtrans-55.8-50.1-175.8-174179.869.7167.1-0.2114T490 H496 Q502T490-R498 WeakPolarHBondContact O-CD 3.32Å; H496-R498 VanDerWaalsContact C-N 3.35Å; R498-Q502 PolarHBondContact O-N 3Å; R498-Q502 VanDerWaalsContact O-N 3.16Å
499S87.9Confident84.5Confident56 Ų5643.4 Ų43.439%0.39222%0.218SC..Hα-helixtrans-67.5-41.1-179.550.70000111.7I497 C501 Q502 E503I497-S499 PolarHBondContact O-N 3.31Å; S499-C501 VanDerWaalsContact C-N 3.35Å; S499-C501 PolarHBondContact O-N 2.93Å; S499-Q502 PolarHBondContact O-N 3.18Å; S499-E503 WeakPolarHBondContact O-CB 3.46Å; S499-E503 WeakPolarHBondContact O-CG 3.29Å; S499-E503 PolarHBondContact O-N 3.29Å
500L87.5Confident84.6Confident29 Ų2943 Ų4315%0.15223%0.227CC..Hα-helixtrans-59.2-45.9178.1-54.7-179.9000111.1I455 E456 F459 I497 E503 I504I455-L500 HydrophobicContact CG2-CB 3.84Å; I455-L500 HydrophobicContact CG2-CD1 4.46Å; E456-L500 HydrophobicContact CG-CD1 3.94Å; F459-L500 HydrophobicContact CB-CD2 4.31Å; F459-L500 HydrophobicContact CD1-CD2 3.76Å; F459-L500 HydrophobicContact CD2-CB 4.38Å; F459-L500 HydrophobicContact CD2-CD2 3.83Å; F459-L500 HydrophobicContact CE1-CD2 3.97Å; F459-L500 HydrophobicContact CE2-CD2 4.05Å; F459-L500 HydrophobicContact CG-CD2 3.69Å; F459-L500 HydrophobicContact CZ-CD2 4.11Å; I497-L500 HydrophobicContact CG2-CD1 4.11Å; I497-L500 PolarHBondContact O-N 3.34Å; L500-E503 PolarHBondContact O-N 2.88Å; L500-I504 WeakPolarHBondContact O-CB 3.25Å; L500-I504 WeakPolarHBondContact O-CD1 3.45Å; L500-I504 WeakPolarHBondContact O-CG1 3.34Å; L500-I504 PolarHBondContact O-N 3.44Å
501C88.5Confident84.6Confident0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-62.4-44176.5-61.90000112I497 S499 L505I497-C501 PolarHBondContact O-N 3.05Å; I497-C501 PolarHBondContact O-SG 3.43Å; S499-C501 VanDerWaalsContact C-N 3.35Å; S499-C501 PolarHBondContact O-N 2.93Å; C501-L505 WeakPolarHBondContact O-CD1 3.5Å; C501-L505 VanDerWaalsContact O-CG 3.28Å; C501-L505 WeakPolarHBondContact O-CG 3.43Å; C501-L505 PolarHBondContact O-N 3.24Å; C501-L505 VanDerWaalsContact O-N 3.11Å
502Q90.1Very high84.8Confident33 Ų3346 Ų4615%0.15424%0.24CC..Hα-helixtrans-61.8-48.2177.4-170.9178.4-10.400111.5Y487 R498 S499 I504 L505 L506 L582 H585Y487-Q502 HydrophobicContact CD2-CB 4.11Å; Y487-Q502 HydrophobicContact CE2-CB 3.77Å; Y487-Q502 HydrophobicContact CE2-CG 3.97Å; R498-Q502 PolarHBondContact O-N 3Å; R498-Q502 VanDerWaalsContact O-N 3.16Å; S499-Q502 PolarHBondContact O-N 3.18Å; Q502-I504 PolarHBondContact O-N 3.29Å; Q502-L505 PolarHBondContact O-N 3.15Å; Q502-L506 HydrophobicContact CG-CD1 4.01Å; Q502-L506 HydrophobicContact CG-CG 4.38Å; Q502-L506 WeakPolarHBondContact O-CB 3.4Å; Q502-L506 VanDerWaalsContact O-CG 3.28Å; Q502-L506 WeakPolarHBondContact O-CG 3.42Å; Q502-L506 PolarHBondContact O-N 3.1Å; Q502-L582 HydrophobicContact CG-CD1 4.39Å; Q502-H585 PolarHBondContact NE2-NE2 2.96Å
503E89.6Confident85.2Confident84 Ų8447 Ų4739%0.39325%0.245SC..Hα-helixtrans-65.8-37.6-179-72.4177.5-127.500112.6F459 S499 L500 W507F459-E503 HydrophobicContact CD2-CB 4.3Å; F459-E503 HydrophobicContact CE2-CB 3.76Å; F459-E503 HydrophobicContact CE2-CG 4.41Å; F459-E503 VanDerWaalsContact CE2-OE2 3.25Å; F459-E503 WeakPolarHBondContact CE2-OE2 3.36Å; F459-E503 WeakPolarHBondContact CZ-OE2 3.48Å; S499-E503 WeakPolarHBondContact O-CB 3.46Å; S499-E503 WeakPolarHBondContact O-CG 3.29Å; S499-E503 PolarHBondContact O-N 3.29Å; L500-E503 PolarHBondContact O-N 2.88Å; E503-W507 WeakPolarHBondContact O-CB 3.32Å; E503-W507 PolarHBondContact O-N 2.94Å
504I88.9Confident85.8Confident0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-60.9-47.6172.8-68.4160.6000110.7I455 V458 F459 V463 L476 L483 L500 Q502 W507 I508I455-I504 HydrophobicContact CG2-CD1 4.11Å; V458-I504 HydrophobicContact CB-CD1 4.17Å; V458-I504 HydrophobicContact CG1-CD1 3.78Å; V458-I504 HydrophobicContact CG1-CG1 4.17Å; V458-I504 HydrophobicContact CG1-CG2 4.05Å; F459-I504 HydrophobicContact CB-CD1 4.12Å; F459-I504 HydrophobicContact CB-CG1 4.31Å; F459-I504 HydrophobicContact CD2-CG1 4.31Å; V463-I504 HydrophobicContact CG2-CG1 3.95Å; L476-I504 HydrophobicContact CD2-CG2 4.13Å; L483-I504 HydrophobicContact CD1-CG2 4.18Å; L500-I504 WeakPolarHBondContact O-CB 3.25Å; L500-I504 WeakPolarHBondContact O-CD1 3.45Å; L500-I504 WeakPolarHBondContact O-CG1 3.34Å; L500-I504 PolarHBondContact O-N 3.44Å; Q502-I504 PolarHBondContact O-N 3.29Å; I504-W507 PolarHBondContact O-N 3.43Å; I504-I508 WeakPolarHBondContact O-CG2 3.26Å; I504-I508 PolarHBondContact O-N 3.48Å
505L88.9Confident86.4Confident0 Ų054.9 Ų54.90%026%0.259CS..Hα-helixtrans-64.3-45.7-179.6-71.7167000111.9L483 F484 Y487 C501 Q502 I508 L509 F524 L582L483-L505 HydrophobicContact CB-CD2 4.29Å; F484-L505 HydrophobicContact CB-CD2 4.39Å; F484-L505 HydrophobicContact CD2-CD1 4.38Å; Y487-L505 HydrophobicContact CD1-CD1 4.27Å; Y487-L505 HydrophobicContact CG-CD1 4.06Å; C501-L505 WeakPolarHBondContact O-CD1 3.5Å; C501-L505 VanDerWaalsContact O-CG 3.28Å; C501-L505 WeakPolarHBondContact O-CG 3.43Å; C501-L505 PolarHBondContact O-N 3.24Å; C501-L505 VanDerWaalsContact O-N 3.11Å; Q502-L505 PolarHBondContact O-N 3.15Å; L505-I508 WeakPolarHBondContact O-CG2 3.37Å; L505-L509 WeakPolarHBondContact O-CB 3.4Å; L505-L509 VanDerWaalsContact O-CG 3.23Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 3.34Å; L505-F524 HydrophobicContact CD2-CE2 4.26Å; L505-F524 HydrophobicContact CD2-CZ 3.99Å; L505-L582 HydrophobicContact CB-CD1 4.11Å; L505-L582 HydrophobicContact CB-CD2 4.25Å; L505-L582 HydrophobicContact CD1-CD2 4.45Å
506L89.1Confident86.6Confident43 Ų4357.4 Ų57.423%0.22527%0.268CS..Hα-helixtrans-61.7-44.1176.2-69.2175.9000111.5Q502 G510 L582 H585 C586Q502-L506 HydrophobicContact CG-CD1 4.01Å; Q502-L506 HydrophobicContact CG-CG 4.38Å; Q502-L506 WeakPolarHBondContact O-CB 3.4Å; Q502-L506 VanDerWaalsContact O-CG 3.28Å; Q502-L506 WeakPolarHBondContact O-CG 3.42Å; Q502-L506 PolarHBondContact O-N 3.1Å; L506-G510 PolarHBondContact O-N 3.36Å; L506-L582 HydrophobicContact CD2-CD1 3.65Å; L506-L582 HydrophobicContact CD2-CG 4.33Å; L506-L582 HydrophobicContact CG-CD1 3.95Å; L506-H585 HydrophobicContact CD1-CB 4.1Å; L506-H585 HydrophobicContact CD2-CB 3.78Å; L506-C586 WeakPolarHBondContact CD2-SG 3.39Å
507W89.4Confident86.8Confident26 Ų2652.9 Ų52.910%0.09825%0.247CC..Hα-helixtrans-64.2-46.8-178.9-178.190.2000111.9Y462 V463 N466 M473 E503 I504 G510 K511Y462-W507 HydrophobicContact CD1-CH2 4.28Å; Y462-W507 AromaticContact CD1-CZ3 3.78Å; Y462-W507 HydrophobicContact CD1-CZ3 3.78Å; Y462-W507 HydrophobicContact CG-CZ3 4.31Å; Y462-W507 VanDerWaalsContact O-CE2 3.29Å; Y462-W507 WeakPolarHBondContact O-CZ2 3.28Å; V463-W507 HydrophobicContact CG2-CB 4.07Å; V463-W507 HydrophobicContact CG2-CG 4.32Å; N466-W507 PolarHBondContact OD1-NE1 3.02Å; M473-W507 HydrophobicContact CE-CH2 3.59Å; M473-W507 HydrophobicContact CE-CZ3 3.38Å; M473-W507 HydrophobicContact SD-CZ3 4.28Å; E503-W507 WeakPolarHBondContact O-CB 3.32Å; E503-W507 PolarHBondContact O-N 2.94Å; I504-W507 PolarHBondContact O-N 3.43Å; W507-G510 PolarHBondContact O-N 3.08Å; W507-K511 HydrophobicContact CD2-CG 4.38Å; W507-K511 HydrophobicContact CZ2-CG 4.39Å; W507-K511 VanDerWaalsContact O-CG 3.25Å; W507-K511 WeakPolarHBondContact O-CG 3.48Å; W507-K511 PolarHBondContact O-N 3.05Å
508I86.4Confident86.8Confident0 Ų054.4 Ų54.40%026%0.255CS..Hα-helixtrans-68.9-43178.2-171.1151.2000112.2M473 L476 L480 I504 L505 G510 K511 L512M473-I508 HydrophobicContact CE-CD1 4.25Å; M473-I508 HydrophobicContact SD-CD1 3.92Å; M473-I508 HydrophobicContact SD-CG1 4Å; L476-I508 HydrophobicContact CB-CD1 4.03Å; L476-I508 HydrophobicContact CD2-CD1 3.8Å; L476-I508 HydrophobicContact CG-CD1 4.12Å; L480-I508 HydrophobicContact CD1-CD1 4.19Å; L480-I508 HydrophobicContact CD1-CG1 4.47Å; L480-I508 HydrophobicContact CD1-CG2 4.26Å; L480-I508 HydrophobicContact CD2-CD1 4.23Å; L480-I508 HydrophobicContact CD2-CG2 3.74Å; I504-I508 WeakPolarHBondContact O-CG2 3.26Å; I504-I508 PolarHBondContact O-N 3.48Å; L505-I508 WeakPolarHBondContact O-CG2 3.37Å; I508-G510 PolarHBondContact O-N 3.34Å; I508-K511 PolarHBondContact O-N 2.95Å; I508-L512 HydrophobicContact CD1-CD1 4.46Å; I508-L512 HydrophobicContact CG1-CB 4.5Å; I508-L512 HydrophobicContact CG1-CD1 4.28Å; I508-L512 VanDerWaalsContact O-CB 3.29Å; I508-L512 WeakPolarHBondContact O-CB 3.25Å; I508-L512 PolarHBondContact O-N 3.08Å
509L85.8Confident86.8Confident6 Ų650.2 Ų50.23%0.03125%0.248CC..Hα-helixtrans-60.1-33.8178.1-71.6173.4000112.5L505 A517 L521 F524 L582 L591L505-L509 WeakPolarHBondContact O-CB 3.4Å; L505-L509 VanDerWaalsContact O-CG 3.23Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 3.34Å; L509-A517 HydrophobicContact CD2-CB 4.47Å; L509-L521 HydrophobicContact CD1-CD2 4.16Å; L509-L521 HydrophobicContact CD2-CD2 4.18Å; L509-L521 HydrophobicContact CD2-CG 4.34Å; L509-F524 HydrophobicContact CD1-CE2 4.4Å; L509-F524 HydrophobicContact CD2-CE2 4.48Å; L509-L582 HydrophobicContact CD1-CD2 3.82Å; L509-L582 HydrophobicContact CD1-CG 4.38Å; L509-L591 HydrophobicContact CB-CD2 4.05Å; L509-L591 HydrophobicContact CD2-CD2 4.23Å
510G84.6Confident86.7Confident37 Ų3747.9 Ų47.938%0.38123%0.232SC..Hα-helixtrans-78.4-14.617500000115.6L506 W507 I508L506-G510 PolarHBondContact O-N 3.36Å; W507-G510 PolarHBondContact O-N 3.08Å; I508-G510 PolarHBondContact O-N 3.34Å
511K84.7Confident86.7Confident102 Ų10246.5 Ų46.544%0.44322%0.224SC..Hα-helixtrans-109.1-19.3-179.6-62.2-60179.6-169.70114.3P468 W507 I508P468-K511 HydrophobicContact CB-CB 4.33Å; W507-K511 HydrophobicContact CD2-CG 4.38Å; W507-K511 HydrophobicContact CZ2-CG 4.39Å; W507-K511 VanDerWaalsContact O-CG 3.25Å; W507-K511 WeakPolarHBondContact O-CG 3.48Å; W507-K511 PolarHBondContact O-N 3.05Å; I508-K511 PolarHBondContact O-N 2.95Å
512L85.1Confident86.5Confident21 Ų2149.2 Ų49.211%0.1124%0.236CC..SBendtrans-75.1155.8-177.4-153.670.6000111.9M473 L477 I508 R514 K516 A517M473-L512 HydrophobicContact CB-CD1 4.1Å; M473-L512 HydrophobicContact CG-CD1 4.39Å; M473-L512 HydrophobicContact SD-CD1 4.35Å; L477-L512 HydrophobicContact CD1-CD2 4.03Å; I508-L512 HydrophobicContact CD1-CD1 4.46Å; I508-L512 HydrophobicContact CG1-CB 4.5Å; I508-L512 HydrophobicContact CG1-CD1 4.28Å; I508-L512 VanDerWaalsContact O-CB 3.29Å; I508-L512 WeakPolarHBondContact O-CB 3.25Å; I508-L512 PolarHBondContact O-N 3.08Å; L512-R514 PolarHBondContact O-N 3.48Å; L512-K516 HydrophobicContact CD1-CD 4.46Å; L512-K516 HydrophobicContact CD2-CB 3.64Å; L512-K516 HydrophobicContact CG-CB 3.83Å; L512-K516 HydrophobicContact CG-CD 4.48Å; L512-A517 HydrophobicContact CB-CB 4.42Å; L512-A517 HydrophobicContact CD2-CB 4.45Å
513E85.1Confident86.2Confident130 Ų13048.5 Ų48.561%0.60724%0.238SC*.  trans-61133.7171.2-65.3179.3166.500110.9K515 K516 A517E513-K515 PolarHBondContact O-N 2.99Å; E513-K516 HydrophobicContact CB-CG 4.46Å; E513-K516 WeakPolarHBondContact O-CA 3.33Å; E513-K516 PolarHBondContact O-N 2.89Å; E513-A517 PolarHBondContact O-N 3.26Å
514R84.3Confident86Confident159 Ų15944.9 Ų44.960%0.622%0.221SC*.Hα-helixtrans-46.1-41.8-176.6-68.3-172.7177.2112.41.3114.1L512 A517 I518L512-R514 PolarHBondContact O-N 3.48Å; R514-A517 PolarHBondContact O-N 2.83Å; R514-I518 WeakPolarHBondContact O-CD1 3.44Å; R514-I518 VanDerWaalsContact O-CG1 3.24Å; R514-I518 WeakPolarHBondContact O-CG1 3.18Å; R514-I518 PolarHBondContact O-N 3.06Å
515K84.3Confident85.6Confident184 Ų18445.4 Ų45.480%0.823%0.225SC*.Hα-helixtrans-64.1-45.2178.2-68.3-175.4177-177.30112.9E513 A519E513-K515 PolarHBondContact O-N 2.99Å; K515-A519 WeakPolarHBondContact O-CB 3.24Å; K515-A519 PolarHBondContact O-N 3.05Å; K515-A519 VanDerWaalsContact O-N 3.08Å
516K84.9Confident84.9Confident71 Ų7147 Ų4731%0.30924%0.241SC..Hα-helixtrans-68.2-35.9175.8-66.5-173.4178.6-175.50111.1D474 L512 E513 A519 S520D474-K516 IonicContact OD1-NZ 3.12Å; D474-K516 PolarHBondContact OD1-NZ 3.43Å; L512-K516 HydrophobicContact CD1-CD 4.46Å; L512-K516 HydrophobicContact CD2-CB 3.64Å; L512-K516 HydrophobicContact CG-CB 3.83Å; L512-K516 HydrophobicContact CG-CD 4.48Å; E513-K516 HydrophobicContact CB-CG 4.46Å; E513-K516 WeakPolarHBondContact O-CA 3.33Å; E513-K516 PolarHBondContact O-N 2.89Å; K516-A519 PolarHBondContact O-N 3.31Å; K516-S520 PolarHBondContact O-N 3.28Å; K516-S520 PolarHBondContact O-OG 3.2Å
517A86.6Confident84.2Confident1 Ų146 Ų461%0.00824%0.236CC..Hα-helixtrans-64.6-49176.900000111.5L509 L512 E513 R514 A519 S520 L521 L591L509-A517 HydrophobicContact CD2-CB 4.47Å; L512-A517 HydrophobicContact CB-CB 4.42Å; L512-A517 HydrophobicContact CD2-CB 4.45Å; E513-A517 PolarHBondContact O-N 3.26Å; R514-A517 PolarHBondContact O-N 2.83Å; A517-A519 VanDerWaalsContact C-N 3.34Å; A517-A519 PolarHBondContact O-N 3.37Å; A517-S520 WeakPolarHBondContact O-CB 3.2Å; A517-S520 PolarHBondContact O-N 3.37Å; A517-S520 VanDerWaalsContact O-N 3.13Å; A517-L521 WeakPolarHBondContact O-CG 3.26Å; A517-L521 PolarHBondContact O-N 3.28Å; A517-L591 HydrophobicContact CB-CD1 3.81Å; A517-L591 HydrophobicContact CB-CD2 4.09Å
518I85.5Confident83.3Confident32 Ų3247.6 Ų47.616%0.16425%0.246CC..Hα-helixtrans-60.1-43.4175.2-65.9162.2000110.9R514 S520 L521 K522 L591 D594R514-I518 WeakPolarHBondContact O-CD1 3.44Å; R514-I518 VanDerWaalsContact O-CG1 3.24Å; R514-I518 WeakPolarHBondContact O-CG1 3.18Å; R514-I518 PolarHBondContact O-N 3.06Å; I518-S520 VanDerWaalsContact C-N 3.31Å; I518-S520 PolarHBondContact O-N 3.34Å; I518-L521 PolarHBondContact O-N 2.84Å; I518-K522 WeakPolarHBondContact O-CG 3.38Å; I518-K522 PolarHBondContact O-N 2.98Å; I518-L591 HydrophobicContact CG1-CD1 3.94Å; I518-D594 HydrophobicContact CD1-CB 3.87Å; I518-D594 HydrophobicContact CG1-CB 4.45Å
519A86Confident82.4Confident41 Ų4153.4 Ų53.434%0.33927%0.272SS..Hα-helixtrans-60.1-39.3175.100000112.6K515 K516 A517 K522 G523K515-A519 WeakPolarHBondContact O-CB 3.24Å; K515-A519 PolarHBondContact O-N 3.05Å; K515-A519 VanDerWaalsContact O-N 3.08Å; K516-A519 PolarHBondContact O-N 3.31Å; A517-A519 VanDerWaalsContact C-N 3.34Å; A517-A519 PolarHBondContact O-N 3.37Å; A519-K522 WeakPolarHBondContact O-CB 3.31Å; A519-K522 PolarHBondContact O-N 2.85Å; A519-G523 PolarHBondContact O-N 3.21Å; A519-G523 VanDerWaalsContact O-N 3.15Å
520S86.1Confident81.2Confident7 Ų757.2 Ų57.25%0.04930%0.304CS..Hα-helixtrans-64.9-42.5175.2-52.80000111.7K516 A517 I518 K522 G523 F524K516-S520 PolarHBondContact O-N 3.28Å; K516-S520 PolarHBondContact O-OG 3.2Å; A517-S520 WeakPolarHBondContact O-CB 3.2Å; A517-S520 PolarHBondContact O-N 3.37Å; A517-S520 VanDerWaalsContact O-N 3.13Å; I518-S520 VanDerWaalsContact C-N 3.31Å; I518-S520 PolarHBondContact O-N 3.34Å; S520-K522 VanDerWaalsContact C-N 3.34Å; S520-K522 PolarHBondContact O-N 3.03Å; S520-G523 WeakPolarHBondContact O-CA 3.4Å; S520-G523 PolarHBondContact O-N 3.27Å; S520-G523 VanDerWaalsContact O-N 3.14Å; S520-F524 VanDerWaalsContact O-CD1 3.23Å; S520-F524 WeakPolarHBondContact O-CD1 3.08Å; S520-F524 WeakPolarHBondContact O-CG 3.4Å; S520-F524 PolarHBondContact O-N 2.68Å
521L86.6Confident80.2Confident0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-63.6-35.5175.2-65.9172.4000112.7L509 A517 I518 G523 F524 A525 L579 L583 L591 F595L509-L521 HydrophobicContact CD1-CD2 4.16Å; L509-L521 HydrophobicContact CD2-CD2 4.18Å; L509-L521 HydrophobicContact CD2-CG 4.34Å; A517-L521 WeakPolarHBondContact O-CG 3.26Å; A517-L521 PolarHBondContact O-N 3.28Å; I518-L521 PolarHBondContact O-N 2.84Å; L521-G523 VanDerWaalsContact C-N 3.33Å; L521-F524 HydrophobicContact CD2-CD2 4.01Å; L521-F524 HydrophobicContact CD2-CE2 4.38Å; L521-F524 PolarHBondContact O-N 2.88Å; L521-A525 WeakPolarHBondContact O-CB 3.23Å; L521-A525 PolarHBondContact O-N 3Å; L521-L579 HydrophobicContact CD2-CD1 3.85Å; L521-L583 HydrophobicContact CD1-CD2 3.92Å; L521-L583 HydrophobicContact CD2-CD2 3.97Å; L521-L591 HydrophobicContact CD1-CD1 4.01Å; L521-L591 HydrophobicContact CD1-CD2 3.93Å; L521-L591 HydrophobicContact CD1-CG 3.81Å; L521-F595 HydrophobicContact CB-CD2 3.7Å; L521-F595 HydrophobicContact CB-CE1 4.5Å; L521-F595 HydrophobicContact CB-CE2 3.5Å; L521-F595 HydrophobicContact CB-CG 4.3Å; L521-F595 HydrophobicContact CB-CZ 3.93Å; L521-F595 HydrophobicContact CD1-CB 4Å; L521-F595 HydrophobicContact CD1-CD1 4.46Å; L521-F595 HydrophobicContact CD1-CD2 3.96Å; L521-F595 HydrophobicContact CD1-CG 3.9Å
522K85.6Confident79.2Confident56 Ų5655 Ų5524%0.24329%0.293CS..Hα-helixtrans-61.8-40.9171.3-66.3-175.7-169.8-156.40111.9I518 A519 S520 A525 G526 L527 D528 F595 F598I518-K522 WeakPolarHBondContact O-CG 3.38Å; I518-K522 PolarHBondContact O-N 2.98Å; A519-K522 WeakPolarHBondContact O-CB 3.31Å; A519-K522 PolarHBondContact O-N 2.85Å; S520-K522 VanDerWaalsContact C-N 3.34Å; S520-K522 PolarHBondContact O-N 3.03Å; K522-A525 PolarHBondContact O-N 3.22Å; K522-G526 PolarHBondContact O-N 3.43Å; K522-L527 HydrophobicContact CB-CB 4.42Å; K522-L527 PolarHBondContact O-N 3.4Å; K522-D528 HydrophobicContact CB-CB 3.91Å; K522-D528 PolarHBondContact O-N 3.16Å; K522-F595 HydrophobicContact CG-CE2 4.46Å; K522-F598 HydrophobicContact CD-CE1 3.91Å; K522-F598 HydrophobicContact CD-CE2 4.37Å; K522-F598 HydrophobicContact CD-CZ 3.76Å; K522-F598 HydrophobicContact CG-CD1 4.32Å; K522-F598 HydrophobicContact CG-CE1 3.72Å; K522-F598 HydrophobicContact CG-CZ 4.12Å
523G83Confident78.4Confident19 Ų1957.4 Ų57.420%0.19631%0.312CS..Hα-helixtrans-63.2-42.9173.300000112.6A519 S520 L521 A525 G526A519-G523 PolarHBondContact O-N 3.21Å; A519-G523 VanDerWaalsContact O-N 3.15Å; S520-G523 WeakPolarHBondContact O-CA 3.4Å; S520-G523 PolarHBondContact O-N 3.27Å; S520-G523 VanDerWaalsContact O-N 3.14Å; L521-G523 VanDerWaalsContact C-N 3.33Å; G523-A525 VanDerWaalsContact C-N 3.32Å; G523-A525 PolarHBondContact O-N 3.38Å; G523-G526 PolarHBondContact O-N 2.97Å; G523-G526 VanDerWaalsContact O-N 3.11Å
524F84.7Confident77.8Confident8 Ų852.6 Ų52.64%0.03529%0.29CS..Hα-helixtrans-62.8-38.3176.7-62.7-6.8000112.4L480 F484 L505 L509 S520 L521 G526 L579L480-F524 HydrophobicContact CB-CE1 3.85Å; L480-F524 HydrophobicContact CB-CZ 3.94Å; L480-F524 WeakPolarHBondContact O-CE1 3.26Å; F484-F524 HydrophobicContact CB-CD1 3.7Å; F484-F524 HydrophobicContact CB-CD2 4.21Å; F484-F524 HydrophobicContact CB-CE1 3.78Å; F484-F524 HydrophobicContact CB-CE2 4.27Å; F484-F524 HydrophobicContact CB-CG 3.95Å; F484-F524 HydrophobicContact CB-CZ 4.07Å; F484-F524 HydrophobicContact CD1-CB 3.62Å; F484-F524 HydrophobicContact CD1-CD1 4.1Å; F484-F524 HydrophobicContact CD1-CD2 4.44Å; F484-F524 AromaticContact CD1-CG 3.82Å; F484-F524 HydrophobicContact CD1-CG 3.82Å; F484-F524 HydrophobicContact CD2-CB 4.33Å; F484-F524 AromaticContact CD2-CD2 3.82Å; F484-F524 HydrophobicContact CD2-CD2 3.82Å; F484-F524 HydrophobicContact CD2-CE2 4.29Å; F484-F524 HydrophobicContact CD2-CG 4.03Å; F484-F524 HydrophobicContact CE1-CB 3.75Å; F484-F524 HydrophobicContact CE1-CG 4.38Å; F484-F524 WeakPolarHBondContact CE1-O 3.48Å; F484-F524 HydrophobicContact CE2-CB 4.45Å; F484-F524 HydrophobicContact CE2-CD2 4.36Å; F484-F524 HydrophobicContact CG-CB 3.94Å; F484-F524 AromaticContact CG-CD1 3.89Å; F484-F524 HydrophobicContact CG-CD1 3.89Å; F484-F524 AromaticContact CG-CD2 3.88Å; F484-F524 HydrophobicContact CG-CD2 3.88Å; F484-F524 HydrophobicContact CG-CE1 4.38Å; F484-F524 HydrophobicContact CG-CE2 4.37Å; F484-F524 AromaticContact CG-CG 3.63Å; F484-F524 HydrophobicContact CG-CG 3.63Å; F484-F524 HydrophobicContact CZ-CB 4.18Å; L505-F524 HydrophobicContact CD2-CE2 4.26Å; L505-F524 HydrophobicContact CD2-CZ 3.99Å; L509-F524 HydrophobicContact CD1-CE2 4.4Å; L509-F524 HydrophobicContact CD2-CE2 4.48Å; S520-F524 VanDerWaalsContact O-CD1 3.23Å; S520-F524 WeakPolarHBondContact O-CD1 3.08Å; S520-F524 WeakPolarHBondContact O-CG 3.4Å; S520-F524 PolarHBondContact O-N 2.68Å; L521-F524 HydrophobicContact CD2-CD2 4.01Å; L521-F524 HydrophobicContact CD2-CE2 4.38Å; L521-F524 PolarHBondContact O-N 2.88Å; F524-G526 VanDerWaalsContact C-N 3.26Å; F524-G526 PolarHBondContact O-N 3.43Å; F524-L579 HydrophobicContact CB-CD1 4.02Å; F524-L579 HydrophobicContact CD2-CD1 4.04Å
525A80.2Confident77.1Confident10 Ų1047 Ų478%0.08327%0.27CS..THydrogen-bonded Turntrans-76.9-5.1175.500000114.3L521 K522 G523 L527 L579 F595 L647L521-A525 WeakPolarHBondContact O-CB 3.23Å; L521-A525 PolarHBondContact O-N 3Å; K522-A525 PolarHBondContact O-N 3.22Å; G523-A525 VanDerWaalsContact C-N 3.32Å; G523-A525 PolarHBondContact O-N 3.38Å; A525-L527 HydrophobicContact CB-CD1 4.19Å; A525-L527 HydrophobicContact CB-CG 4.03Å; A525-L527 PolarHBondContact O-N 3.44Å; A525-L579 HydrophobicContact CB-CD2 3.82Å; A525-F595 HydrophobicContact CB-CZ 4.28Å; A525-L647 HydrophobicContact CB-CD2 4.07Å
526G75.8Confident76.1Confident33 Ų3342.1 Ų42.134%0.3426%0.26SS..THydrogen-bonded Turntrans736-175.900000115.3K522 G523 F524 D528K522-G526 PolarHBondContact O-N 3.43Å; G523-G526 PolarHBondContact O-N 2.97Å; G523-G526 VanDerWaalsContact O-N 3.11Å; F524-G526 VanDerWaalsContact C-N 3.26Å; F524-G526 PolarHBondContact O-N 3.43Å; G526-D528 VanDerWaalsContact C-N 3.35Å
527L73Confident75.2Confident23 Ų2342.3 Ų42.312%0.1226%0.264CS..SBendtrans-72.3-29.1179.2-63.3176.3000112.3K522 A525 F598 L643 V644 L647K522-L527 HydrophobicContact CB-CB 4.42Å; K522-L527 PolarHBondContact O-N 3.4Å; A525-L527 HydrophobicContact CB-CD1 4.19Å; A525-L527 HydrophobicContact CB-CG 4.03Å; A525-L527 PolarHBondContact O-N 3.44Å; L527-F598 HydrophobicContact CD1-CE1 4.03Å; L527-L643 HydrophobicContact CD2-CB 4.13Å; L527-V644 HydrophobicContact CD1-CG2 4.45Å; L527-V644 HydrophobicContact CD2-CG2 3.73Å; L527-L647 HydrophobicContact CD1-CD2 4.12Å
528D71.7Confident74.7Confident59 Ų5942.5 Ų42.532%0.31627%0.265SS..  trans-116.298.4177-170.7-10000110.9K522 G526 A530 V531K522-D528 HydrophobicContact CB-CB 3.91Å; K522-D528 PolarHBondContact O-N 3.16Å; G526-D528 VanDerWaalsContact C-N 3.35Å; D528-A530 PolarHBondContact O-N 3.32Å; D528-A530 VanDerWaalsContact OD1-CB 3.26Å; D528-A530 WeakPolarHBondContact OD1-CB 3.42Å; D528-A530 PolarHBondContact OD1-N 3.04Å; D528-V531 HydrophobicContact CB-CG2 4.17Å; D528-V531 PolarHBondContact O-N 3.21Å
529K67.3Low74.5Confident122 Ų12244.2 Ų44.253%0.5327%0.272SS..THydrogen-bonded Turntrans-71.3-6.5178-59.9-170.5-175.4-172.80113.3E636 E639K529-E636 IonicContact NZ-OE1 3.04Å; K529-E636 PolarHBondContact NZ-OE1 3.15Å; K529-E639 IonicContact NZ-OE2 3.06Å
530A61.2Low74.3Confident87 Ų8743.1 Ų43.172%0.71926%0.26SS*.THydrogen-bonded Turntrans-82.7-12.417600000113.3D528D528-A530 PolarHBondContact O-N 3.32Å; D528-A530 VanDerWaalsContact OD1-CB 3.26Å; D528-A530 WeakPolarHBondContact OD1-CB 3.42Å; D528-A530 PolarHBondContact OD1-N 3.04Å
531V63.2Low74.1Confident31 Ų3146.5 Ų46.519%0.18827%0.271CS..SBendtrans-73.9130.2174.1-179.10000109.6D528 S533D528-V531 HydrophobicContact CB-CG2 4.17Å; D528-V531 PolarHBondContact O-N 3.21Å; V531-S533 PolarHBondContact O-N 3.01Å
532P63.2Low73.8Confident62 Ų6249.9 Ų49.940%0.40330%0.299SS..  trans-58.2126.2177.7-22.432.4000111.4L429 P478L429-P532 HydrophobicContact CD2-CB 3.86Å; P478-P532 HydrophobicContact CB-CG 4.5Å
533S68.6Low73.5Confident71 Ų7147.9 Ų47.950%0.49729%0.293SS..  trans-129.1172.3-179.456.40000110L429 V531 H535L429-S533 WeakPolarHBondContact CD2-O 3.44Å; V531-S533 PolarHBondContact O-N 3.01Å; S533-H535 PolarHBondContact O-N 3.22Å
534L71.2Confident73.1Confident29 Ų2953.2 Ų53.215%0.15232%0.322CS..  trans-54.7127.8178-177.869.2000110C428 L485 C538 F540C428-L534 HydrophobicContact CB-CD1 3.9Å; L485-L534 HydrophobicContact CD1-CB 3.74Å; L534-C538 HydrophobicContact CD1-CB 3.68Å; L534-C538 HydrophobicContact CD2-CB 4.35Å; L534-C538 HydrophobicContact CG-CB 3.91Å; L534-F540 HydrophobicContact CD1-CZ 4.27Å; L534-F540 HydrophobicContact CD2-CD2 4.13Å; L534-F540 HydrophobicContact CD2-CE2 3.7Å; L534-F540 HydrophobicContact CD2-CZ 4.06Å
535H71.1Confident72.3Confident41 Ų4160.3 Ų60.319%0.1936%0.355CS..  trans-54.8142.5-179.2-172-92.8000111.6C428 T431 S533 L537 C538C428-H535 PolarHBondContact O-N 3.39Å; C428-H535 VanDerWaalsContact O-N 3.08Å; T431-H535 WeakPolarHBondContact CG2-CE1 3.41Å; T431-H535 WeakPolarHBondContact CG2-NE2 3.46Å; T431-H535 PolarHBondContact OG1-NE2 2.74Å; S533-H535 PolarHBondContact O-N 3.22Å; H535-L537 PolarHBondContact ND1-N 3.01Å; H535-L537 PolarHBondContact O-N 3.42Å; H535-C538 PolarHBondContact O-N 3.06Å
536S63.4Low71.8Confident82 Ų8261.2 Ų61.257%0.57337%0.366SS*.THydrogen-bonded Turntrans-56.7-27.8-171.657.80000114.4K553S536-K553 WeakPolarHBondContact O-CD 3.29Å; S536-K553 VanDerWaalsContact O-CE 3.24Å; S536-K553 WeakPolarHBondContact O-CE 3.45Å; S536-K553 PolarHBondContact O-NZ 3.25Å
537L65.9Low71.8Confident75 Ų7559.8 Ų59.839%0.39335%0.351SS..THydrogen-bonded Turntrans-86.2-6.4177.2-59.7176.4000114.7M439 H535 I552 K553M439-L537 HydrophobicContact CE-CD1 4.07Å; H535-L537 PolarHBondContact ND1-N 3.01Å; H535-L537 PolarHBondContact O-N 3.42Å; L537-I552 CarbonylContact O-C 3.5Å; L537-I552 WeakPolarHBondContact O-CA 3.04Å; L537-K553 PolarHBondContact O-N 3.5Å
538C75.6Confident72.4Confident4 Ų458.8 Ų58.83%0.02735%0.346CS..EExtended strand (participates in β ladder)trans-98.5148.3-178.2-64.40000111.6L534 H535 I550 K553L534-C538 HydrophobicContact CD1-CB 3.68Å; L534-C538 HydrophobicContact CD2-CB 4.35Å; L534-C538 HydrophobicContact CG-CB 3.91Å; H535-C538 PolarHBondContact O-N 3.06Å; C538-I550 HydrophobicContact CB-CG2 4.3Å; C538-K553 WeakPolarHBondContact O-CE 3.39Å
539Q80.5Confident72.9Confident68 Ų6857.9 Ų57.932%0.31834%0.34SS..EExtended strand (participates in β ladder)trans-142142177.8-172179.317.300110.9I550 T551 K553Q539-I550 WeakPolarHBondContact O-CA 3.48Å; Q539-T551 PolarHBondContact N-O 2.87Å; Q539-T551 PolarHBondContact O-N 3.44Å; Q539-K553 HydrophobicContact CB-CG 3.85Å
540F82.8Confident73.6Confident18 Ų1852 Ų528%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-80.1133.1168.8-59.1-66.6000110.3V482 L485 L486 F489 L534 I548 I550V482-F540 HydrophobicContact CG1-CZ 4.18Å; L485-F540 HydrophobicContact CB-CE2 3.91Å; L485-F540 HydrophobicContact CB-CZ 4.5Å; L486-F540 HydrophobicContact CB-CE1 4.38Å; L486-F540 HydrophobicContact CB-CZ 4.15Å; L486-F540 HydrophobicContact CD1-CD1 3.71Å; L486-F540 HydrophobicContact CD1-CE1 3.61Å; L486-F540 HydrophobicContact CD1-CG 4.38Å; L486-F540 HydrophobicContact CD1-CZ 4.17Å; F489-F540 HydrophobicContact CB-CD2 4.4Å; F489-F540 HydrophobicContact CD1-CB 4.15Å; F489-F540 HydrophobicContact CD2-CB 3.73Å; F489-F540 HydrophobicContact CE1-CB 4.27Å; F489-F540 HydrophobicContact CE2-CB 3.86Å; F489-F540 WeakPolarHBondContact CE2-O 3.43Å; F489-F540 HydrophobicContact CG-CB 3.87Å; F489-F540 HydrophobicContact CG-CG 4.46Å; F489-F540 HydrophobicContact CZ-CB 4.12Å; L534-F540 HydrophobicContact CD1-CZ 4.27Å; L534-F540 HydrophobicContact CD2-CD2 4.13Å; L534-F540 HydrophobicContact CD2-CE2 3.7Å; L534-F540 HydrophobicContact CD2-CZ 4.06Å; F540-I548 HydrophobicContact CB-CG2 4.1Å; F540-I548 HydrophobicContact CD1-CG2 4Å; F540-I548 HydrophobicContact CG-CG2 4.45Å; F540-I550 HydrophobicContact CD1-CD1 4.17Å; F540-I550 HydrophobicContact CD1-CG1 3.85Å; F540-I550 HydrophobicContact CE1-CD1 3.77Å; F540-I550 HydrophobicContact CE1-CG1 3.99Å
541R81.2Confident74.5Confident78 Ų7848 Ų4829%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-123.5144.1169.7-71.2-175.9173.1-178.8-7.3109.6M549 T551 E554R541-M549 HydrophobicContact CB-CG 3.97Å; R541-M549 PolarHBondContact N-O 3.04Å; R541-M549 WeakPolarHBondContact O-CG 3.4Å; R541-M549 PolarHBondContact O-N 3.44Å; R541-T551 WeakPolarHBondContact CD-OG1 3.45Å; R541-E554 IonicContact CZ-OE1 2.65Å; R541-E554 VanDerWaalsContact CZ-OE1 3.3Å; R541-E554 IonicContact CZ-OE2 3.73Å; R541-E554 IonicContact NH1-OE1 3.44Å; R541-E554 PolarHBondContact NH1-OE1 2.89Å; R541-E554 IonicContact NH1-OE2 2.85Å; R541-E554 IonicContact NH2-OE1 3.5Å; R541-E554 PolarHBondContact NH2-OE1 3.4Å; R541-E554 IonicContact NH2-OE2 3.37Å; R541-E554 PolarHBondContact NH2-OE2 3.47Å
542A81.8Confident75.3Confident71 Ų7146.9 Ų46.959%0.58727%0.274SS*.EExtended strand (participates in β ladder)trans-70.4133172.800000109.4F489F489-A542 HydrophobicContact CZ-CB 4.5Å
543A78.2Confident75.7Confident14 Ų1448.5 Ų48.512%0.11628%0.275CS..  trans-99.4165-177.700000111.8E448 Q545 G546 G547 M549E448-A543 HydrophobicContact CB-CB 3.82Å; E448-A543 HydrophobicContact CG-CB 3.81Å; E448-A543 VanDerWaalsContact OE2-CB 3.23Å; E448-A543 WeakPolarHBondContact OE2-CB 3.43Å; A543-Q545 VanDerWaalsContact C-N 3.3Å; A543-Q545 PolarHBondContact O-N 2.84Å; A543-G546 PolarHBondContact O-N 2.9Å; A543-G547 PolarHBondContact N-O 3.42Å; A543-M549 HydrophobicContact CB-CB 4.31Å; A543-M549 HydrophobicContact CB-CG 4.1Å; A543-M549 HydrophobicContact CB-SD 4.18Å
544T73.9Confident75.6Confident132 Ų13249.7 Ų49.781%0.8127%0.273SS*.THydrogen-bonded Turntrans-72-18.5-166.360.80000114.7
545Q67.8Low74.9Confident156 Ų15652.6 Ų52.673%0.72930%0.301SS*.THydrogen-bonded Turntrans-99.111.2177.3-50.1-60.5-49.900113.3E448 A543E448-Q545 VanDerWaalsContact OE1-C 3.28Å; E448-Q545 WeakPolarHBondContact OE1-CA 3.24Å; E448-Q545 WeakPolarHBondContact OE1-CB 3.24Å; E448-Q545 PolarHBondContact OE1-N 2.77Å; E448-Q545 PolarHBondContact OE2-N 2.88Å; A543-Q545 VanDerWaalsContact C-N 3.3Å; A543-Q545 PolarHBondContact O-N 2.84Å
546G69.6Low74.2Confident30 Ų3055.7 Ų55.731%0.30932%0.318SS..SBendtrans83.118.117800000114.7E448 S495 H496 A543E448-G546 PolarHBondContact OE1-N 3.26Å; S495-G546 WeakPolarHBondContact CA-O 3.48Å; H496-G546 PolarHBondContact ND1-O 3.26Å; A543-G546 PolarHBondContact O-N 2.9Å
547G77.8Confident73.4Confident3 Ų354.2 Ų54.23%0.03131%0.307CS..SBendtrans-101-160.5161.700000112.1E448 A543E448-G547 WeakPolarHBondContact OE1-CA 3.44Å; E448-G547 PolarHBondContact OE1-N 3.48Å; A543-G547 PolarHBondContact N-O 3.42Å
548I83.6Confident72.7Confident1 Ų157.7 Ų57.71%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-131.1140.8-172-60.8167.2000108.8E448 L451 L486 F489 T490 I497 F540E448-I548 WeakPolarHBondContact CA-O 3.41Å; L451-I548 HydrophobicContact CD2-CB 3.96Å; L451-I548 HydrophobicContact CD2-CG2 3.96Å; L451-I548 WeakPolarHBondContact CD2-O 3.23Å; L486-I548 HydrophobicContact CD1-CB 4.29Å; L486-I548 HydrophobicContact CD1-CD1 3.61Å; L486-I548 HydrophobicContact CD1-CG2 3.84Å; L486-I548 HydrophobicContact CG-CD1 4.29Å; F489-I548 HydrophobicContact CD1-CD1 3.68Å; F489-I548 HydrophobicContact CD1-CG1 4Å; F489-I548 HydrophobicContact CD1-CG2 4.28Å; F489-I548 HydrophobicContact CE1-CD1 4.21Å; F489-I548 HydrophobicContact CE1-CG1 4.01Å; F489-I548 HydrophobicContact CE1-CG2 4.21Å; T490-I548 HydrophobicContact CG2-CD1 3.43Å; T490-I548 VanDerWaalsContact CG2-CD1 3.43Å; I497-I548 HydrophobicContact CD1-CB 4.23Å; I497-I548 HydrophobicContact CD1-CD1 3.94Å; I497-I548 HydrophobicContact CD1-CG1 4.1Å; F540-I548 HydrophobicContact CB-CG2 4.1Å; F540-I548 HydrophobicContact CD1-CG2 4Å; F540-I548 HydrophobicContact CG-CG2 4.45Å
549M82.9Confident71.5Confident40 Ų4066.4 Ų66.420%0.19737%0.367CS..EExtended strand (participates in β ladder)trans-121.1156.1173.357.8-173.8-81.900110.1I444 R541 A543 T551I444-M549 HydrophobicContact CB-CE 4.45Å; I444-M549 HydrophobicContact CD1-CE 3.61Å; I444-M549 HydrophobicContact CG1-CE 3.6Å; I444-M549 HydrophobicContact CG2-CE 4.18Å; R541-M549 HydrophobicContact CB-CG 3.97Å; R541-M549 PolarHBondContact N-O 3.04Å; R541-M549 WeakPolarHBondContact O-CG 3.4Å; R541-M549 PolarHBondContact O-N 3.44Å; A543-M549 HydrophobicContact CB-CB 4.31Å; A543-M549 HydrophobicContact CB-CG 4.1Å; A543-M549 HydrophobicContact CB-SD 4.18Å; M549-T551 HydrophobicContact CE-CG2 3.53Å
550I81.6Confident70.3Confident0 Ų067.1 Ų67.10%037%0.373CS..EExtended strand (participates in β ladder)trans-115.3122.2-178.9-54179.7000108.3C428 L445 V446 L451 C538 Q539 F540C428-I550 WeakPolarHBondContact SG-CD1 3.37Å; L445-I550 PolarHBondContact N-O 3.29Å; V446-I550 HydrophobicContact CB-CB 4.06Å; V446-I550 HydrophobicContact CB-CD1 4.24Å; V446-I550 HydrophobicContact CB-CG1 4.24Å; V446-I550 HydrophobicContact CG2-CB 4.32Å; V446-I550 HydrophobicContact CG2-CD1 4.2Å; V446-I550 PolarHBondContact N-O 2.96Å; V446-I550 PolarHBondContact O-N 2.91Å; V446-I550 VanDerWaalsContact O-N 3.08Å; L451-I550 HydrophobicContact CD1-CD1 4.35Å; L451-I550 HydrophobicContact CD2-CD1 4.18Å; L451-I550 HydrophobicContact CD2-CG1 4.21Å; C538-I550 HydrophobicContact CB-CG2 4.3Å; Q539-I550 WeakPolarHBondContact O-CA 3.48Å; F540-I550 HydrophobicContact CD1-CD1 4.17Å; F540-I550 HydrophobicContact CD1-CG1 3.85Å; F540-I550 HydrophobicContact CE1-CD1 3.77Å; F540-I550 HydrophobicContact CE1-CG1 3.99Å
551T81.8Confident69.2Low1 Ų172.2 Ų72.21%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-122154.2-178.553.30000111.4T443 I444 Q539 R541 M549T443-T551 VanDerWaalsContact O-CA 3.26Å; T443-T551 WeakPolarHBondContact O-CA 3.47Å; I444-T551 HydrophobicContact CG1-CG2 4.37Å; Q539-T551 PolarHBondContact N-O 2.87Å; Q539-T551 PolarHBondContact O-N 3.44Å; R541-T551 WeakPolarHBondContact CD-OG1 3.45Å; M549-T551 HydrophobicContact CE-CG2 3.53Å
552I78.8Confident68.2Low8 Ų875 Ų754%0.04142%0.417CS..EExtended strand (participates in β ladder)trans-72.7132.4166.8-70.6159.5000108.9D438 G442 T443 L445 L537 E554D438-I552 WeakPolarHBondContact O-CD1 3.5Å; G442-I552 PolarHBondContact N-O 3Å; T443-I552 PolarHBondContact O-N 3.49Å; T443-I552 VanDerWaalsContact O-N 3.09Å; L445-I552 HydrophobicContact CD1-CD1 3.75Å; L445-I552 HydrophobicContact CD1-CG1 3.95Å; L537-I552 CarbonylContact O-C 3.5Å; L537-I552 WeakPolarHBondContact O-CA 3.04Å; I552-E554 PolarHBondContact O-N 3.47Å
553K71.2Confident67.3Low96 Ų9675 Ų7542%0.41741%0.406SS..PPolyproline II helixtrans-54.3134.7-179.8-76.8-178.6-178.2172.20110.8S536 L537 C538 Q539S536-K553 WeakPolarHBondContact O-CD 3.29Å; S536-K553 VanDerWaalsContact O-CE 3.24Å; S536-K553 WeakPolarHBondContact O-CE 3.45Å; S536-K553 PolarHBondContact O-NZ 3.25Å; L537-K553 PolarHBondContact O-N 3.5Å; C538-K553 WeakPolarHBondContact O-CE 3.39Å; Q539-K553 HydrophobicContact CB-CG 3.85Å
554E67.2Low66.6Low96 Ų9676 Ų7645%0.44941%0.413SS..PPolyproline II helixtrans-67.2146.2165.8-78.5145.4-151.100110P441 R541 I552 I556P441-E554 HydrophobicContact CB-CB 4.48Å; P441-E554 HydrophobicContact CB-CG 4.14Å; R541-E554 IonicContact CZ-OE1 2.65Å; R541-E554 VanDerWaalsContact CZ-OE1 3.3Å; R541-E554 IonicContact CZ-OE2 3.73Å; R541-E554 IonicContact NH1-OE1 3.44Å; R541-E554 PolarHBondContact NH1-OE1 2.89Å; R541-E554 IonicContact NH1-OE2 2.85Å; R541-E554 IonicContact NH2-OE1 3.5Å; R541-E554 PolarHBondContact NH2-OE1 3.4Å; R541-E554 IonicContact NH2-OE2 3.37Å; R541-E554 PolarHBondContact NH2-OE2 3.47Å; I552-E554 PolarHBondContact O-N 3.47Å; E554-I556 PolarHBondContact O-N 3.37Å
555A55.5Low66.4Low90 Ų9074.5 Ų74.574%0.74440%0.4SS*.PPolyproline II helixtrans-65.5121.4173.200000107.8S557A555-S557 PolarHBondContact O-N 3.1Å
556I56.3Low66.4Low106 Ų10673.5 Ų73.554%0.54439%0.39SS..PPolyproline II helixtrans-61.8132.1179.9-54171.8000107.4E554 D560 E561 A564E554-I556 PolarHBondContact O-N 3.37Å; I556-D560 HydrophobicContact CG2-CB 3.91Å; I556-E561 HydrophobicContact CG2-CG 4.34Å; I556-A564 HydrophobicContact CD1-CB 4.14Å; I556-A564 HydrophobicContact CG2-CB 4.3Å
557S48.7Very low66.4Low51 Ų5176.7 Ų76.736%0.35740%0.397SS..PPolyproline II helixtrans-82.4152.2171.883.70000109.9A555 E559 D560A555-S557 PolarHBondContact O-N 3.1Å; S557-E559 PolarHBondContact O-N 2.9Å; S557-D560 WeakPolarHBondContact CB-OD2 3.38Å; S557-D560 PolarHBondContact O-N 3.17Å; S557-D560 PolarHBondContact OG-OD2 3.48Å
558D50.8Low66.1Low149 Ų14981.1 Ų81.180%0.79742%0.416SS*.THydrogen-bonded Turntrans-58.4-14.6179.9-57.9-9.7000113.1
559E50.3Low65.6Low187 Ų18785 Ų8587%0.87444%0.439SS*.THydrogen-bonded Turntrans-90.1-14.3175.9-61.2-176174.100113.4S557S557-E559 PolarHBondContact O-N 2.9Å
560D54.8Low65.2Low83 Ų8385.3 Ų85.344%0.44445%0.445SS..THydrogen-bonded Turntrans-99.5-3.7-178.4-65.6-60.6000113.8I556 S557 D562 E563 A564I556-D560 HydrophobicContact CG2-CB 3.91Å; S557-D560 WeakPolarHBondContact CB-OD2 3.38Å; S557-D560 PolarHBondContact O-N 3.17Å; S557-D560 PolarHBondContact OG-OD2 3.48Å; D560-D562 PolarHBondContact O-N 3.4Å; D560-E563 PolarHBondContact O-N 3.32Å; D560-A564 WeakPolarHBondContact O-CB 3.37Å; D560-A564 PolarHBondContact O-N 3.21Å
561E58.8Low64.7Low124 Ų12486.8 Ų86.858%0.57946%0.456SS*.Hα-helixtrans-59.7-42.1-172.3-67-159.1137.800113.4I556 A564 L565I556-E561 HydrophobicContact CG2-CG 4.34Å; E561-A564 PolarHBondContact O-N 3.48Å; E561-L565 WeakPolarHBondContact O-CB 3.4Å; E561-L565 PolarHBondContact O-N 2.92Å
562D60.3Low64.3Low136 Ų13689.8 Ų89.873%0.72747%0.469SS*.Hα-helixtrans-66.4-39.5179.2-79-26.6000112.3D560 L565 Y566D560-D562 PolarHBondContact O-N 3.4Å; D562-L565 PolarHBondContact O-N 2.93Å; D562-Y566 WeakPolarHBondContact O-CB 3.1Å; D562-Y566 PolarHBondContact O-N 3.32Å
563E63.2Low64.4Low73 Ų7393.1 Ų93.134%0.34149%0.485SS..Hα-helixtrans-71.1-39.3176.5178.961.2-146.100110.6D560 L565 Y566 Q567D560-E563 PolarHBondContact O-N 3.32Å; E563-L565 VanDerWaalsContact C-N 3.34Å; E563-L565 PolarHBondContact O-N 3.44Å; E563-Y566 PolarHBondContact O-N 2.9Å; E563-Q567 WeakPolarHBondContact O-CB 3.47Å; E563-Q567 VanDerWaalsContact O-CG 3.31Å; E563-Q567 WeakPolarHBondContact O-CG 3.5Å; E563-Q567 PolarHBondContact O-N 3.46Å; E563-Q567 WeakPolarHBondContact OE1-CG 3.24Å; E563-Q567 PolarHBondContact OE1-NE2 3.15Å
564A63.9Low64.7Low33 Ų3388.9 Ų88.927%0.27347%0.468SS..Hα-helixtrans-63.3-38.9173.200000112I556 D560 E561 K568I556-A564 HydrophobicContact CD1-CB 4.14Å; I556-A564 HydrophobicContact CG2-CB 4.3Å; D560-A564 WeakPolarHBondContact O-CB 3.37Å; D560-A564 PolarHBondContact O-N 3.21Å; E561-A564 PolarHBondContact O-N 3.48Å; A564-K568 WeakPolarHBondContact O-CB 3.4Å; A564-K568 PolarHBondContact O-N 3.08Å
565L68.8Low65.5Low101 Ų10188.4 Ų88.453%0.52946%0.463SS..Hα-helixtrans-65.8-46.5174.5-174.766.8000111.2E561 D562 E563 Q567 K568 V569E561-L565 WeakPolarHBondContact O-CB 3.4Å; E561-L565 PolarHBondContact O-N 2.92Å; D562-L565 PolarHBondContact O-N 2.93Å; E563-L565 VanDerWaalsContact C-N 3.34Å; E563-L565 PolarHBondContact O-N 3.44Å; L565-Q567 PolarHBondContact O-N 2.95Å; L565-K568 WeakPolarHBondContact O-CB 3.17Å; L565-K568 PolarHBondContact O-N 3.47Å; L565-V569 WeakPolarHBondContact O-CG2 3.32Å; L565-V569 PolarHBondContact O-N 3.05Å
566Y69.5Low66.9Low135 Ų13584.3 Ų84.353%0.52943%0.428SS..Hα-helixtrans-61.2-44.4176.2-179.8-103.2000112.1D562 E563 K568 V569 S570D562-Y566 WeakPolarHBondContact O-CB 3.1Å; D562-Y566 PolarHBondContact O-N 3.32Å; E563-Y566 PolarHBondContact O-N 2.9Å; Y566-K568 PolarHBondContact O-N 3.3Å; Y566-V569 PolarHBondContact O-N 3.29Å; Y566-S570 VanDerWaalsContact O-CB 3.24Å; Y566-S570 WeakPolarHBondContact O-CB 3.27Å; Y566-S570 PolarHBondContact O-N 3.38Å
567Q68.9Low68.3Low97 Ų9782.8 Ų82.845%0.45342%0.419SS..Hα-helixtrans-63.5-39174.8-73.5-178.424.300112.2E563 L565 S571E563-Q567 WeakPolarHBondContact O-CB 3.47Å; E563-Q567 VanDerWaalsContact O-CG 3.31Å; E563-Q567 WeakPolarHBondContact O-CG 3.5Å; E563-Q567 PolarHBondContact O-N 3.46Å; E563-Q567 WeakPolarHBondContact OE1-CG 3.24Å; E563-Q567 PolarHBondContact OE1-NE2 3.15Å; L565-Q567 PolarHBondContact O-N 2.95Å; Q567-S571 VanDerWaalsContact O-CB 3.27Å; Q567-S571 WeakPolarHBondContact O-CB 3.36Å; Q567-S571 PolarHBondContact O-N 2.87Å; Q567-S571 PolarHBondContact O-OG 3.47Å
568K70.4Confident70Confident97 Ų9781.4 Ų81.442%0.42241%0.407SS..Hα-helixtrans-59.6-55.8174.7-174.9-171.8170.1-1630110.4A564 L565 Y566 S570 S571 E572A564-K568 WeakPolarHBondContact O-CB 3.4Å; A564-K568 PolarHBondContact O-N 3.08Å; L565-K568 WeakPolarHBondContact O-CB 3.17Å; L565-K568 PolarHBondContact O-N 3.47Å; Y566-K568 PolarHBondContact O-N 3.3Å; K568-S570 PolarHBondContact O-N 2.65Å; K568-S571 PolarHBondContact O-N 2.69Å; K568-S571 VanDerWaalsContact O-N 3.09Å; K568-S571 PolarHBondContact O-OG 3.42Å; K568-E572 WeakPolarHBondContact CE-OE1 3.36Å; K568-E572 WeakPolarHBondContact O-CG 3.41Å; K568-E572 PolarHBondContact O-N 3.47Å
569V73.7Confident71.8Confident82 Ų8274.4 Ų74.450%0.49737%0.369SS..Hα-helixtrans-60-44.1-179.8174.20000111.5L565 Y566 S571 E572 Q573L565-V569 WeakPolarHBondContact O-CG2 3.32Å; L565-V569 PolarHBondContact O-N 3.05Å; Y566-V569 PolarHBondContact O-N 3.29Å; V569-S571 VanDerWaalsContact C-N 3.32Å; V569-S571 PolarHBondContact O-N 3.17Å; V569-E572 PolarHBondContact O-N 2.76Å; V569-Q573 WeakPolarHBondContact O-CB 3.19Å; V569-Q573 PolarHBondContact O-N 3.15Å
570S74.1Confident73.4Confident46 Ų4665.5 Ų65.532%0.32233%0.327SS..Hα-helixtrans-62.5-37.5175.5-1780000112.4Y566 K568 G574Y566-S570 VanDerWaalsContact O-CB 3.24Å; Y566-S570 WeakPolarHBondContact O-CB 3.27Å; Y566-S570 PolarHBondContact O-N 3.38Å; K568-S570 PolarHBondContact O-N 2.65Å; S570-G574 PolarHBondContact O-N 2.84Å
571S72.3Confident74.9Confident32 Ų3263.5 Ų63.522%0.22432%0.317CS..Hα-helixtrans-70.2-35.4175.983.70000112.7Q567 K568 V569 R575Q567-S571 VanDerWaalsContact O-CB 3.27Å; Q567-S571 WeakPolarHBondContact O-CB 3.36Å; Q567-S571 PolarHBondContact O-N 2.87Å; Q567-S571 PolarHBondContact O-OG 3.47Å; K568-S571 PolarHBondContact O-N 2.69Å; K568-S571 VanDerWaalsContact O-N 3.09Å; K568-S571 PolarHBondContact O-OG 3.42Å; V569-S571 VanDerWaalsContact C-N 3.32Å; V569-S571 PolarHBondContact O-N 3.17Å; S571-R575 VanDerWaalsContact O-CG 3.26Å; S571-R575 WeakPolarHBondContact O-CG 3.4Å; S571-R575 PolarHBondContact O-N 2.84Å
572E73.6Confident76.2Confident63 Ų6357.6 Ų57.629%0.29429%0.289SS..Hα-helixtrans-72.6-43.1177.9-73.8168.917500111K568 V569 G574 R575 V576K568-E572 WeakPolarHBondContact CE-OE1 3.36Å; K568-E572 WeakPolarHBondContact O-CG 3.41Å; K568-E572 PolarHBondContact O-N 3.47Å; V569-E572 PolarHBondContact O-N 2.76Å; E572-G574 PolarHBondContact O-N 2.9Å; E572-R575 PolarHBondContact O-N 3.44Å; E572-V576 PolarHBondContact O-N 2.72Å
573Q79.3Confident77.3Confident78 Ų7851.1 Ų51.136%0.36426%0.255SS..Hα-helixtrans-55.6-51.1169.1-177.964.734.900111.5V569 R575 V576 E577V569-Q573 WeakPolarHBondContact O-CB 3.19Å; V569-Q573 PolarHBondContact O-N 3.15Å; Q573-R575 VanDerWaalsContact C-N 3.34Å; Q573-R575 PolarHBondContact O-N 3.25Å; Q573-V576 PolarHBondContact O-N 3.21Å; Q573-E577 WeakPolarHBondContact CG-OE1 3.43Å; Q573-E577 PolarHBondContact NE2-OE1 2.77Å; Q573-E577 PolarHBondContact O-N 2.97Å
574G78.6Confident78.3Confident7 Ų749.2 Ų49.27%0.07225%0.25CC..Hα-helixtrans-60.4-37.4178.300000113.5S570 E572 V576 E577 H578S570-G574 PolarHBondContact O-N 2.84Å; E572-G574 PolarHBondContact O-N 2.9Å; G574-V576 VanDerWaalsContact C-N 3.33Å; G574-V576 PolarHBondContact O-N 3.49Å; G574-E577 PolarHBondContact O-N 2.91Å; G574-H578 WeakPolarHBondContact O-CB 3.48Å; G574-H578 PolarHBondContact O-N 2.92Å; G574-H578 PolarHBondContact O-ND1 2.91Å
575R83.4Confident79.1Confident87 Ų8753 Ų5333%0.32826%0.261SS..Hα-helixtrans-58.7-44176.4-76.8167.4-158.2-171.26.7112F484 L485 S571 E572 Q573 L579F484-R575 HydrophobicContact CE1-CB 4.38Å; F484-R575 HydrophobicContact CE1-CG 4.46Å; L485-R575 HydrophobicContact CD2-CG 4.29Å; L485-R575 VanDerWaalsContact CD2-CZ 3.48Å; S571-R575 VanDerWaalsContact O-CG 3.26Å; S571-R575 WeakPolarHBondContact O-CG 3.4Å; S571-R575 PolarHBondContact O-N 2.84Å; E572-R575 PolarHBondContact O-N 3.44Å; Q573-R575 VanDerWaalsContact C-N 3.34Å; Q573-R575 PolarHBondContact O-N 3.25Å; R575-L579 WeakPolarHBondContact O-CB 3.11Å; R575-L579 PolarHBondContact O-N 3.38Å
576V84.8Confident79.5Confident4 Ų448.6 Ų48.62%0.02424%0.239CC..Hα-helixtrans-67.2-42.8-179.3-178.40000110.8E572 Q573 G574 L579 G580 Q646 L647 V650E572-V576 PolarHBondContact O-N 2.72Å; Q573-V576 PolarHBondContact O-N 3.21Å; G574-V576 VanDerWaalsContact C-N 3.33Å; G574-V576 PolarHBondContact O-N 3.49Å; V576-L579 WeakPolarHBondContact O-CB 3.4Å; V576-L579 PolarHBondContact O-N 3.44Å; V576-G580 PolarHBondContact O-N 3.41Å; V576-Q646 HydrophobicContact CG1-CG 4.32Å; V576-L647 HydrophobicContact CG1-CB 4.18Å; V576-L647 HydrophobicContact CG1-CD1 3.87Å; V576-V650 HydrophobicContact CG1-CB 4.05Å; V576-V650 HydrophobicContact CG1-CG1 4.42Å; V576-V650 HydrophobicContact CG1-CG2 3.89Å
577E85.3Confident79.4Confident74 Ų7444.9 Ų44.935%0.34623%0.226SC..Hα-helixtrans-62.2-47.7175.2-70.4172.9-158.600112.2Q573 G574 L579 G580 D581 V650Q573-E577 WeakPolarHBondContact CG-OE1 3.43Å; Q573-E577 PolarHBondContact NE2-OE1 2.77Å; Q573-E577 PolarHBondContact O-N 2.97Å; G574-E577 PolarHBondContact O-N 2.91Å; E577-L579 VanDerWaalsContact C-N 3.25Å; E577-L579 PolarHBondContact O-N 3.47Å; E577-G580 PolarHBondContact O-N 3.01Å; E577-G580 VanDerWaalsContact O-N 3.14Å; E577-D581 PolarHBondContact O-N 3.29Å; E577-V650 HydrophobicContact CG-CG2 4.27Å
578H86.3Confident79.2Confident22 Ų2249.5 Ų49.510%0.10225%0.248CC..Hα-helixtrans-64.2-27.9176.5-64.1132.8000113.2Y487 K491 G574 D581 L582Y487-H578 HydrophobicContact CE1-CB 4.1Å; K491-H578 WeakPolarHBondContact CB-NE2 3.4Å; G574-H578 WeakPolarHBondContact O-CB 3.48Å; G574-H578 PolarHBondContact O-N 2.92Å; G574-H578 PolarHBondContact O-ND1 2.91Å; H578-D581 WeakPolarHBondContact O-CB 3.3Å; H578-L582 WeakPolarHBondContact O-CB 3.41Å; H578-L582 PolarHBondContact O-N 3.26Å
579L87.1Confident79.1Confident1 Ų147.7 Ų47.71%0.00525%0.247CC..Hα-helixtrans-70.7-42.1172.3-173.961000111.5F484 L521 F524 A525 R575 V576 E577 L582 L583 F595 L647F484-L579 HydrophobicContact CE2-CB 4.32Å; F484-L579 HydrophobicContact CE2-CD1 4.07Å; F484-L579 HydrophobicContact CZ-CB 3.91Å; F484-L579 HydrophobicContact CZ-CD1 4.19Å; L521-L579 HydrophobicContact CD2-CD1 3.85Å; F524-L579 HydrophobicContact CB-CD1 4.02Å; F524-L579 HydrophobicContact CD2-CD1 4.04Å; A525-L579 HydrophobicContact CB-CD2 3.82Å; R575-L579 WeakPolarHBondContact O-CB 3.11Å; R575-L579 PolarHBondContact O-N 3.38Å; V576-L579 WeakPolarHBondContact O-CB 3.4Å; V576-L579 PolarHBondContact O-N 3.44Å; E577-L579 VanDerWaalsContact C-N 3.25Å; E577-L579 PolarHBondContact O-N 3.47Å; L579-L582 PolarHBondContact O-N 3.09Å; L579-L583 HydrophobicContact CD1-CD1 4.46Å; L579-L583 HydrophobicContact CG-CD1 4.16Å; L579-L583 WeakPolarHBondContact O-CB 3.44Å; L579-L583 WeakPolarHBondContact O-CG 3.33Å; L579-L583 PolarHBondContact O-N 2.98Å; L579-F595 HydrophobicContact CD2-CE1 4.09Å; L579-F595 HydrophobicContact CD2-CZ 4.24Å; L579-L647 HydrophobicContact CD2-CD1 4.06Å
580G84.1Confident79.2Confident0 Ų043.9 Ų43.90%022%0.224CC..Hα-helixtrans-60.1-44.817200000112.2V576 E577 L582 L583 S584 M655V576-G580 PolarHBondContact O-N 3.41Å; E577-G580 PolarHBondContact O-N 3.01Å; E577-G580 VanDerWaalsContact O-N 3.14Å; G580-L582 PolarHBondContact O-N 3.33Å; G580-L583 PolarHBondContact O-N 2.93Å; G580-S584 PolarHBondContact O-N 2.9Å; G580-M655 WeakPolarHBondContact O-CE 3.37Å
581D85.8Confident79.7Confident41 Ų4142 Ų4222%0.21921%0.21CC..Hα-helixtrans-56.2-45.3171.4-103.119.1000112.4K491 E577 H578 S584 H585K491-D581 IonicContact NZ-OD2 3.57Å; K491-D581 PolarHBondContact NZ-OD2 3.4Å; E577-D581 PolarHBondContact O-N 3.29Å; H578-D581 WeakPolarHBondContact O-CB 3.3Å; D581-S584 PolarHBondContact O-OG 3.34Å; D581-H585 PolarHBondContact O-ND1 3.34Å
582L86.5Confident80.3Confident0 Ų040.6 Ų40.60%020%0.2CC..Hα-helixtrans-66.5-43.6179.4-175.168.9000111F484 Q502 L505 L506 L509 H578 L579 G580 S584 H585F484-L582 HydrophobicContact CD2-CD2 4.29Å; F484-L582 HydrophobicContact CE2-CD2 4.37Å; Q502-L582 HydrophobicContact CG-CD1 4.39Å; L505-L582 HydrophobicContact CB-CD1 4.11Å; L505-L582 HydrophobicContact CB-CD2 4.25Å; L505-L582 HydrophobicContact CD1-CD2 4.45Å; L506-L582 HydrophobicContact CD2-CD1 3.65Å; L506-L582 HydrophobicContact CD2-CG 4.33Å; L506-L582 HydrophobicContact CG-CD1 3.95Å; L509-L582 HydrophobicContact CD1-CD2 3.82Å; L509-L582 HydrophobicContact CD1-CG 4.38Å; H578-L582 WeakPolarHBondContact O-CB 3.41Å; H578-L582 PolarHBondContact O-N 3.26Å; L579-L582 PolarHBondContact O-N 3.09Å; G580-L582 PolarHBondContact O-N 3.33Å; L582-S584 VanDerWaalsContact C-N 3.35Å; L582-S584 PolarHBondContact O-N 3.49Å; L582-H585 PolarHBondContact O-N 3.49Å
583L84.6Confident80.8Confident0 Ų037.6 Ų37.60%019%0.186CC..Hα-helixtrans-69.2-28.7-178.5-73.6171.3000113.3L521 L579 G580 H585 C586 A592 F595 L651 M655L521-L583 HydrophobicContact CD1-CD2 3.92Å; L521-L583 HydrophobicContact CD2-CD2 3.97Å; L579-L583 HydrophobicContact CD1-CD1 4.46Å; L579-L583 HydrophobicContact CG-CD1 4.16Å; L579-L583 WeakPolarHBondContact O-CB 3.44Å; L579-L583 WeakPolarHBondContact O-CG 3.33Å; L579-L583 PolarHBondContact O-N 2.98Å; G580-L583 PolarHBondContact O-N 2.93Å; L583-H585 PolarHBondContact O-N 3.03Å; L583-C586 PolarHBondContact O-N 2.96Å; L583-A592 HydrophobicContact CB-CB 4.34Å; L583-A592 HydrophobicContact CD2-CB 4.46Å; L583-F595 HydrophobicContact CD1-CD1 3.63Å; L583-F595 HydrophobicContact CD1-CE1 4.01Å; L583-L651 HydrophobicContact CD1-CD2 3.88Å; L583-M655 HydrophobicContact CB-CE 3.46Å; L583-M655 VanDerWaalsContact CB-CE 3.46Å
584S83Confident81.1Confident34 Ų3435.6 Ų35.624%0.23818%0.178CC..Hα-helixtrans-65.6-27.9175.570.70000112.1G580 D581 L582 C586 Q587G580-S584 PolarHBondContact O-N 2.9Å; D581-S584 PolarHBondContact O-OG 3.34Å; L582-S584 VanDerWaalsContact C-N 3.35Å; L582-S584 PolarHBondContact O-N 3.49Å; S584-C586 VanDerWaalsContact C-N 3.31Å; S584-Q587 WeakPolarHBondContact O-CG 3.19Å; S584-Q587 PolarHBondContact O-NE2 3.03Å
585H81.9Confident81.5Confident112 Ų11235.2 Ų35.252%0.51918%0.175SC..THydrogen-bonded Turntrans-81.3-7.2172.1-63.272.2000113.1Q502 L506 D581 L582 L583Q502-H585 PolarHBondContact NE2-NE2 2.96Å; L506-H585 HydrophobicContact CD1-CB 4.1Å; L506-H585 HydrophobicContact CD2-CB 3.78Å; D581-H585 PolarHBondContact O-ND1 3.34Å; L582-H585 PolarHBondContact O-N 3.49Å; L583-H585 PolarHBondContact O-N 3.03Å
586C75.6Confident81.6Confident8 Ų832 Ų325%0.05416%0.163CC..THydrogen-bonded Turntrans-102.49.4179.3-70.20000114.6L506 L583 S584 E588 C589L506-C586 WeakPolarHBondContact CD2-SG 3.39Å; L583-C586 PolarHBondContact O-N 2.96Å; S584-C586 VanDerWaalsContact C-N 3.31Å; C586-E588 VanDerWaalsContact C-N 3.3Å; C586-E588 PolarHBondContact O-N 2.98Å; C586-C589 PolarHBondContact O-N 2.8Å; C586-C589 VanDerWaalsContact O-N 3.07Å
587Q68.5Low81.7Confident57 Ų5732.2 Ų32.227%0.26616%0.164SC..G310 helixtrans-54.7-40.1-171.8-74174.111.300113.5S584 C589 G590S584-Q587 WeakPolarHBondContact O-CG 3.19Å; S584-Q587 PolarHBondContact O-NE2 3.03Å; Q587-C589 PolarHBondContact O-N 3.3Å; Q587-C589 VanDerWaalsContact O-N 3.11Å; Q587-G590 PolarHBondContact O-N 2.91Å; Q587-G590 VanDerWaalsContact O-N 3.12Å
588E65.4Low81.8Confident195 Ų19530 Ų3091%0.91115%0.153SC*.G310 helixtrans-58.9-26179.6-61-172.6168.100114.3C586C586-E588 VanDerWaalsContact C-N 3.3Å; C586-E588 PolarHBondContact O-N 2.98Å
589C66.8Low81.7Confident59 Ų5929 Ų2940%0.39915%0.149SC..G310 helixtrans-84.5-10.2-177.7-68.90000113.6C586 Q587 L591C586-C589 PolarHBondContact O-N 2.8Å; C586-C589 VanDerWaalsContact O-N 3.07Å; Q587-C589 PolarHBondContact O-N 3.3Å; Q587-C589 VanDerWaalsContact O-N 3.11Å; C589-L591 HydrophobicContact CB-CB 4.41Å; C589-L591 PolarHBondContact O-N 2.89Å; C589-L591 VanDerWaalsContact O-N 3.13Å
590G76.3Confident81.6Confident1 Ų129.9 Ų29.91%0.0115%0.153CC..THydrogen-bonded Turntrans69-3.8-172.500000115.2Q587 A592 G593 D594 T661 Q665Q587-G590 PolarHBondContact O-N 2.91Å; Q587-G590 VanDerWaalsContact O-N 3.12Å; G590-A592 VanDerWaalsContact C-N 3.29Å; G590-A592 PolarHBondContact O-N 2.86Å; G590-G593 PolarHBondContact O-N 2.96Å; G590-G593 VanDerWaalsContact O-N 3.11Å; G590-D594 PolarHBondContact O-N 3.12Å; G590-T661 WeakPolarHBondContact CA-OG1 3.5Å; G590-Q665 PolarHBondContact O-NE2 2.84Å
591L84.8Confident81.6Confident6 Ų633.4 Ų33.43%0.03117%0.169CC..Hα-helixtrans-60.8-35.8-176.818063.6000112.7L509 A517 I518 L521 C589 G593 D594 F595L509-L591 HydrophobicContact CB-CD2 4.05Å; L509-L591 HydrophobicContact CD2-CD2 4.23Å; A517-L591 HydrophobicContact CB-CD1 3.81Å; A517-L591 HydrophobicContact CB-CD2 4.09Å; I518-L591 HydrophobicContact CG1-CD1 3.94Å; L521-L591 HydrophobicContact CD1-CD1 4.01Å; L521-L591 HydrophobicContact CD1-CD2 3.93Å; L521-L591 HydrophobicContact CD1-CG 3.81Å; C589-L591 HydrophobicContact CB-CB 4.41Å; C589-L591 PolarHBondContact O-N 2.89Å; C589-L591 VanDerWaalsContact O-N 3.13Å; L591-G593 VanDerWaalsContact C-N 3.32Å; L591-G593 PolarHBondContact O-N 3.2Å; L591-D594 PolarHBondContact O-N 3.47Å; L591-F595 WeakPolarHBondContact O-CB 3.44Å; L591-F595 PolarHBondContact O-N 2.92Å
592A84.2Confident81.4Confident3 Ų334.5 Ų34.53%0.02517%0.172CC..Hα-helixtrans-60.9-40.5175.600000111.9L583 G590 F595 F596 M655L583-A592 HydrophobicContact CB-CB 4.34Å; L583-A592 HydrophobicContact CD2-CB 4.46Å; G590-A592 VanDerWaalsContact C-N 3.29Å; G590-A592 PolarHBondContact O-N 2.86Å; A592-F595 PolarHBondContact O-N 3.24Å; A592-F596 VanDerWaalsContact O-CB 3.28Å; A592-F596 WeakPolarHBondContact O-CB 3.1Å; A592-F596 PolarHBondContact O-N 2.8Å; A592-M655 HydrophobicContact CB-SD 4.27Å
593G83.6Confident81.1Confident0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-65.8-44.3174.800000113G590 L591 F595 F596 I597G590-G593 PolarHBondContact O-N 2.96Å; G590-G593 VanDerWaalsContact O-N 3.11Å; L591-G593 VanDerWaalsContact C-N 3.32Å; L591-G593 PolarHBondContact O-N 3.2Å; G593-F595 VanDerWaalsContact C-N 3.31Å; G593-F595 PolarHBondContact O-N 3.44Å; G593-F596 PolarHBondContact O-N 3.45Å; G593-I597 WeakPolarHBondContact O-CD1 3.44Å; G593-I597 VanDerWaalsContact O-CG1 3.25Å; G593-I597 WeakPolarHBondContact O-CG1 3.17Å; G593-I597 PolarHBondContact O-N 3.24Å
594D85.7Confident80.6Confident36 Ų3636.4 Ų36.419%0.19318%0.183CC..Hα-helixtrans-61.1-40.5176.1-70-17000111.7I518 G590 L591 F598 Q665I518-D594 HydrophobicContact CD1-CB 3.87Å; I518-D594 HydrophobicContact CG1-CB 4.45Å; G590-D594 PolarHBondContact O-N 3.12Å; L591-D594 PolarHBondContact O-N 3.47Å; D594-F598 PolarHBondContact O-N 3.46Å; D594-Q665 PolarHBondContact OD1-NE2 2.78Å
595F87.3Confident80.3Confident0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-72.7-37.8178.5-172.1-114000112.8L521 K522 A525 L579 L583 L591 A592 G593 F598 C599 L647 L651L521-F595 HydrophobicContact CB-CD2 3.7Å; L521-F595 HydrophobicContact CB-CE1 4.5Å; L521-F595 HydrophobicContact CB-CE2 3.5Å; L521-F595 HydrophobicContact CB-CG 4.3Å; L521-F595 HydrophobicContact CB-CZ 3.93Å; L521-F595 HydrophobicContact CD1-CB 4Å; L521-F595 HydrophobicContact CD1-CD1 4.46Å; L521-F595 HydrophobicContact CD1-CD2 3.96Å; L521-F595 HydrophobicContact CD1-CG 3.9Å; K522-F595 HydrophobicContact CG-CE2 4.46Å; A525-F595 HydrophobicContact CB-CZ 4.28Å; L579-F595 HydrophobicContact CD2-CE1 4.09Å; L579-F595 HydrophobicContact CD2-CZ 4.24Å; L583-F595 HydrophobicContact CD1-CD1 3.63Å; L583-F595 HydrophobicContact CD1-CE1 4.01Å; L591-F595 WeakPolarHBondContact O-CB 3.44Å; L591-F595 PolarHBondContact O-N 2.92Å; A592-F595 PolarHBondContact O-N 3.24Å; G593-F595 VanDerWaalsContact C-N 3.31Å; G593-F595 PolarHBondContact O-N 3.44Å; F595-F598 HydrophobicContact CD2-CD1 4.22Å; F595-F598 HydrophobicContact CE2-CD1 4.17Å; F595-F598 WeakPolarHBondContact O-CB 3.48Å; F595-F598 PolarHBondContact O-N 3.48Å; F595-C599 PolarHBondContact O-N 3.24Å; F595-C599 PolarHBondContact O-SG 3.11Å; F595-L647 HydrophobicContact CE1-CD1 4.11Å; F595-L647 HydrophobicContact CE1-CD2 3.83Å; F595-L647 HydrophobicContact CE1-CG 4.34Å; F595-L647 HydrophobicContact CZ-CD2 3.78Å; F595-L651 HydrophobicContact CD1-CD1 4.23Å; F595-L651 HydrophobicContact CE1-CD1 4.44Å
596F86.9Confident79.8Confident20 Ų2034.4 Ų34.49%0.08817%0.173CC..Hα-helixtrans-60.5-45.9172.3178.7-102.7000111.7A592 G593 F598 C599 L600 M648 L651 F660 F669A592-F596 VanDerWaalsContact O-CB 3.28Å; A592-F596 WeakPolarHBondContact O-CB 3.1Å; A592-F596 PolarHBondContact O-N 2.8Å; G593-F596 PolarHBondContact O-N 3.45Å; F596-F598 VanDerWaalsContact C-N 3.31Å; F596-F598 PolarHBondContact O-N 3.07Å; F596-C599 PolarHBondContact O-N 3.03Å; F596-L600 HydrophobicContact CD1-CD1 3.85Å; F596-L600 HydrophobicContact CE1-CD1 3.44Å; F596-L600 VanDerWaalsContact CE1-CD1 3.44Å; F596-L600 HydrophobicContact CE1-CG 4.26Å; F596-L600 HydrophobicContact CZ-CD1 3.94Å; F596-L600 HydrophobicContact CZ-CG 4.39Å; F596-L600 PolarHBondContact O-N 3.29Å; F596-M648 HydrophobicContact CD2-CE 3.32Å; F596-M648 HydrophobicContact CE2-CE 3.52Å; F596-M648 HydrophobicContact CG-CE 4.17Å; F596-M648 HydrophobicContact CZ-CE 4.5Å; F596-L651 HydrophobicContact CD2-CB 4Å; F596-L651 HydrophobicContact CD2-CD1 4.25Å; F596-L651 HydrophobicContact CE2-CB 4.47Å; F596-F660 HydrophobicContact CD1-CE1 4.1Å; F596-F660 AromaticContact CD1-CZ 3.87Å; F596-F660 HydrophobicContact CD1-CZ 3.87Å; F596-F660 AromaticContact CE1-CZ 3.95Å; F596-F660 HydrophobicContact CE1-CZ 3.95Å; F596-F669 HydrophobicContact CE1-CD2 4.04Å; F596-F669 AromaticContact CE1-CE2 3.95Å; F596-F669 HydrophobicContact CE1-CE2 3.95Å
597I86.1Confident79.4Confident7 Ų736.7 Ų36.74%0.03619%0.193CC..Hα-helixtrans-62.4-38.8175.1-68.4162.6000111.3G593 L600 K601 F660 Q665 D668 F669G593-I597 WeakPolarHBondContact O-CD1 3.44Å; G593-I597 VanDerWaalsContact O-CG1 3.25Å; G593-I597 WeakPolarHBondContact O-CG1 3.17Å; G593-I597 PolarHBondContact O-N 3.24Å; I597-L600 PolarHBondContact O-N 3.16Å; I597-K601 HydrophobicContact CG2-CD 4.12Å; I597-K601 WeakPolarHBondContact O-CG 3.29Å; I597-K601 PolarHBondContact O-N 3.24Å; I597-K601 VanDerWaalsContact O-N 3.07Å; I597-F660 HydrophobicContact CD1-CD1 4.32Å; I597-F660 HydrophobicContact CD1-CE1 3.9Å; I597-F660 HydrophobicContact CG1-CE1 3.97Å; I597-Q665 HydrophobicContact CD1-CB 3.87Å; I597-Q665 HydrophobicContact CD1-CG 4.41Å; I597-Q665 VanDerWaalsContact CD1-O 3.23Å; I597-Q665 WeakPolarHBondContact CD1-O 3.49Å; I597-D668 HydrophobicContact CD1-CB 4.01Å; I597-D668 HydrophobicContact CG2-CB 4.11Å; I597-F669 HydrophobicContact CD1-CB 4.35Å; I597-F669 HydrophobicContact CG1-CB 4.15Å
598F86.6Confident79.2Confident29 Ų2936 Ų3613%0.12719%0.193CC..Hα-helixtrans-59-50.1173.2167.8-104.3000111.2K522 L527 D594 F595 F596 L600 K601 E602K522-F598 HydrophobicContact CD-CE1 3.91Å; K522-F598 HydrophobicContact CD-CE2 4.37Å; K522-F598 HydrophobicContact CD-CZ 3.76Å; K522-F598 HydrophobicContact CG-CD1 4.32Å; K522-F598 HydrophobicContact CG-CE1 3.72Å; K522-F598 HydrophobicContact CG-CZ 4.12Å; L527-F598 HydrophobicContact CD1-CE1 4.03Å; D594-F598 PolarHBondContact O-N 3.46Å; F595-F598 HydrophobicContact CD2-CD1 4.22Å; F595-F598 HydrophobicContact CE2-CD1 4.17Å; F595-F598 WeakPolarHBondContact O-CB 3.48Å; F595-F598 PolarHBondContact O-N 3.48Å; F596-F598 VanDerWaalsContact C-N 3.31Å; F596-F598 PolarHBondContact O-N 3.07Å; F598-L600 VanDerWaalsContact C-N 3.31Å; F598-L600 PolarHBondContact O-N 3.49Å; F598-K601 WeakPolarHBondContact O-CB 3.41Å; F598-K601 PolarHBondContact O-N 3.49Å; F598-E602 HydrophobicContact CD1-CG 4.49Å; F598-E602 HydrophobicContact CD2-CG 4.23Å; F598-E602 HydrophobicContact CE1-CG 3.82Å; F598-E602 HydrophobicContact CE2-CG 3.5Å; F598-E602 WeakPolarHBondContact CE2-OE1 3.16Å; F598-E602 HydrophobicContact CZ-CG 3.24Å; F598-E602 WeakPolarHBondContact CZ-OE1 3.36Å; F598-E602 PolarHBondContact O-N 3.28Å
599C85.9Confident79Confident0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-62.8-34.8179.7-60.50000112.8F595 F596 E602 L603 L647 M648F595-C599 PolarHBondContact O-N 3.24Å; F595-C599 PolarHBondContact O-SG 3.11Å; F596-C599 PolarHBondContact O-N 3.03Å; C599-E602 PolarHBondContact O-N 3.46Å; C599-L603 WeakPolarHBondContact O-CB 3.49Å; C599-L603 PolarHBondContact O-N 2.94Å; C599-L647 WeakPolarHBondContact SG-CD2 3.48Å; C599-M648 HydrophobicContact CB-CE 3.39Å; C599-M648 HydrophobicContact CB-CG 4.13Å; C599-M648 HydrophobicContact CB-SD 3.66Å
600L83.2Confident78.3Confident20 Ų2032.5 Ų32.511%0.10517%0.173CC..Hα-helixtrans-65.9-35.7172.4-75.4172.6000113.2F596 I597 F598 T604 M648 F669F596-L600 HydrophobicContact CD1-CD1 3.85Å; F596-L600 HydrophobicContact CE1-CD1 3.44Å; F596-L600 VanDerWaalsContact CE1-CD1 3.44Å; F596-L600 HydrophobicContact CE1-CG 4.26Å; F596-L600 HydrophobicContact CZ-CD1 3.94Å; F596-L600 HydrophobicContact CZ-CG 4.39Å; F596-L600 PolarHBondContact O-N 3.29Å; I597-L600 PolarHBondContact O-N 3.16Å; F598-L600 VanDerWaalsContact C-N 3.31Å; F598-L600 PolarHBondContact O-N 3.49Å; L600-T604 PolarHBondContact O-N 3.03Å; L600-T604 VanDerWaalsContact O-N 3.1Å; L600-T604 PolarHBondContact O-OG1 3.05Å; L600-M648 HydrophobicContact CB-SD 4.47Å; L600-M648 HydrophobicContact CD2-SD 3.66Å; L600-M648 HydrophobicContact CG-CE 4.45Å; L600-M648 HydrophobicContact CG-SD 3.76Å; L600-F669 HydrophobicContact CD1-CD2 3.49Å; L600-F669 VanDerWaalsContact CD1-CD2 3.49Å; L600-F669 HydrophobicContact CD1-CE2 3.6Å
601K84.4Confident76.9Confident74 Ų7437.7 Ų37.732%0.32220%0.197SC..Hα-helixtrans-69-42.3175.4-72.3171.5-179.51750110.3I597 F598 T604 L605 D668 A672I597-K601 HydrophobicContact CG2-CD 4.12Å; I597-K601 WeakPolarHBondContact O-CG 3.29Å; I597-K601 PolarHBondContact O-N 3.24Å; I597-K601 VanDerWaalsContact O-N 3.07Å; F598-K601 WeakPolarHBondContact O-CB 3.41Å; F598-K601 PolarHBondContact O-N 3.49Å; K601-T604 WeakPolarHBondContact O-CB 3.19Å; K601-T604 PolarHBondContact O-N 3.35Å; K601-L605 PolarHBondContact O-N 3.04Å; K601-D668 IonicContact NZ-OD1 3.37Å; K601-D668 PolarHBondContact NZ-OD1 2.89Å; K601-A672 HydrophobicContact CG-CB 3.93Å
602E81.3Confident75Confident64 Ų6441.8 Ų41.830%0.29922%0.222SC..Hα-helixtrans-62.4-45.4172-62.9-58.1128.900112.3F598 C599 T604 L605 V606 V644F598-E602 HydrophobicContact CD1-CG 4.49Å; F598-E602 HydrophobicContact CD2-CG 4.23Å; F598-E602 HydrophobicContact CE1-CG 3.82Å; F598-E602 HydrophobicContact CE2-CG 3.5Å; F598-E602 WeakPolarHBondContact CE2-OE1 3.16Å; F598-E602 HydrophobicContact CZ-CG 3.24Å; F598-E602 WeakPolarHBondContact CZ-OE1 3.36Å; F598-E602 PolarHBondContact O-N 3.28Å; C599-E602 PolarHBondContact O-N 3.46Å; E602-T604 PolarHBondContact O-N 3.05Å; E602-L605 WeakPolarHBondContact O-CB 3.19Å; E602-L605 PolarHBondContact O-N 3.44Å; E602-V606 WeakPolarHBondContact O-CG2 3.34Å; E602-V606 PolarHBondContact O-N 2.91Å; E602-V644 HydrophobicContact CB-CG1 4.21Å; E602-V644 HydrophobicContact CB-CG2 4.15Å
603L80.5Confident73.1Confident28 Ų2844.6 Ų44.615%0.14725%0.251CS..Hα-helixtrans-56.7-33.8175.3-179.763.6000112.2C599 A607 V644 L645 M648C599-L603 WeakPolarHBondContact O-CB 3.49Å; C599-L603 PolarHBondContact O-N 2.94Å; L603-A607 WeakPolarHBondContact O-CB 3.36Å; L603-A607 PolarHBondContact O-N 3.28Å; L603-V644 HydrophobicContact CB-CG1 4Å; L603-L645 HydrophobicContact CD1-CD2 3.57Å; L603-L645 HydrophobicContact CD1-CG 4.3Å; L603-M648 HydrophobicContact CD2-CG 4.43Å
604T75.6Confident71Confident12 Ų1251.1 Ų51.17%0.07429%0.286CS..Hα-helixtrans-70-38.2176.1-56.50000112L600 K601 E602 A607 T608 R676L600-T604 PolarHBondContact O-N 3.03Å; L600-T604 VanDerWaalsContact O-N 3.1Å; L600-T604 PolarHBondContact O-OG1 3.05Å; K601-T604 WeakPolarHBondContact O-CB 3.19Å; K601-T604 PolarHBondContact O-N 3.35Å; E602-T604 PolarHBondContact O-N 3.05Å; T604-A607 PolarHBondContact O-N 3.38Å; T604-T608 PolarHBondContact O-N 3.37Å; T604-T608 PolarHBondContact O-OG1 2.88Å; T604-R676 HydrophobicContact CG2-CB 3.84Å; T604-R676 HydrophobicContact CG2-CG 4.09Å
605L76.1Confident68.8Low86 Ų8658.3 Ų58.345%0.4532%0.315SS..Hα-helixtrans-65.2-47.6173.3-64.5173.2000111K601 E602 A607 T608 E609K601-L605 PolarHBondContact O-N 3.04Å; E602-L605 WeakPolarHBondContact O-CB 3.19Å; E602-L605 PolarHBondContact O-N 3.44Å; L605-A607 VanDerWaalsContact C-N 3.28Å; L605-A607 PolarHBondContact O-N 3.42Å; L605-T608 PolarHBondContact O-N 3.42Å; L605-T608 PolarHBondContact O-OG1 2.97Å; L605-E609 WeakPolarHBondContact O-CG 3.18Å; L605-E609 PolarHBondContact O-N 3.46Å
606V71.6Confident66.6Low17 Ų1763.8 Ų63.810%0.10335%0.349CS..Hα-helixtrans-53.3-44.9175.4166.90000111.7E602 T608 E609 N610 K641E602-V606 WeakPolarHBondContact O-CG2 3.34Å; E602-V606 PolarHBondContact O-N 2.91Å; V606-T608 PolarHBondContact O-N 2.85Å; V606-E609 PolarHBondContact O-N 3.18Å; V606-N610 PolarHBondContact O-N 2.92Å; V606-N610 PolarHBondContact O-ND2 3.39Å; V606-N610 PolarHBondContact O-OD1 2.95Å; V606-K641 HydrophobicContact CB-CG 4.24Å; V606-K641 HydrophobicContact CG1-CB 4.07Å; V606-K641 HydrophobicContact CG1-CD 3.92Å; V606-K641 HydrophobicContact CG1-CG 3.58Å; V606-K641 HydrophobicContact CG2-CG 3.72Å
607A66.6Low64.5Low56 Ų5670.9 Ų70.946%0.46338%0.382SS..Hα-helixtrans-62.5-38.9177.300000112.8L603 T604 L605L603-A607 WeakPolarHBondContact O-CB 3.36Å; L603-A607 PolarHBondContact O-N 3.28Å; T604-A607 PolarHBondContact O-N 3.38Å; L605-A607 VanDerWaalsContact C-N 3.28Å; L605-A607 PolarHBondContact O-N 3.42Å
608T64.4Low62.4Low43 Ų4376.5 Ų76.526%0.26442%0.419SS..Hα-helixtrans-75.9-26.6178.352.90000114.6T604 L605 V606 A679T604-T608 PolarHBondContact O-N 3.37Å; T604-T608 PolarHBondContact O-OG1 2.88Å; L605-T608 PolarHBondContact O-N 3.42Å; L605-T608 PolarHBondContact O-OG1 2.97Å; V606-T608 PolarHBondContact O-N 2.85Å; T608-A679 HydrophobicContact CG2-CB 3.68Å
609E61Low60.5Low102 Ų10281.9 Ų81.948%0.47744%0.443SS..Hα-helixtrans-81.3-25.2179.7-72.6179.4176.400113.6L605 V606 E611 T612 G613L605-E609 WeakPolarHBondContact O-CG 3.18Å; L605-E609 PolarHBondContact O-N 3.46Å; V606-E609 PolarHBondContact O-N 3.18Å; E609-E611 PolarHBondContact O-N 3.28Å; E609-E611 VanDerWaalsContact O-N 3.15Å; E609-T612 PolarHBondContact O-N 3.12Å; E609-T612 PolarHBondContact O-OG1 3.45Å; E609-G613 PolarHBondContact O-N 2.91Å
610N52.3Low59Low78 Ų7887 Ų8742%0.41748%0.479SS..Hα-helixtrans-62.2-23.9-172.5-79.6-14000114.6V606 K641V606-N610 PolarHBondContact O-N 2.92Å; V606-N610 PolarHBondContact O-ND2 3.39Å; V606-N610 PolarHBondContact O-OD1 2.95Å; N610-K641 PolarHBondContact OD1-NZ 3.01Å
611E47.5Very low57.4Low110 Ų11088.3 Ų88.351%0.51449%0.49SS..Hα-helixtrans-101.1-25.9176.3-66.2-162.6147.300114.5E609 L614 H683E609-E611 PolarHBondContact O-N 3.28Å; E609-E611 VanDerWaalsContact O-N 3.15Å; E611-L614 PolarHBondContact O-N 3.3Å; E611-H683 IonicContact OE2-CG 3.89Å; E611-H683 IonicContact OE2-ND1 3.42Å; E611-H683 PolarHBondContact OE2-ND1 3.16Å
612T44.5Very low56.1Low92 Ų9294.3 Ų94.356%0.56452%0.516SS*.Hα-helixtrans-73.5-32.1-179.851.70000111.8E609 L614 K615E609-T612 PolarHBondContact O-N 3.12Å; E609-T612 PolarHBondContact O-OG1 3.45Å; T612-L614 VanDerWaalsContact C-N 3.28Å; T612-L614 PolarHBondContact O-N 2.73Å; T612-K615 PolarHBondContact O-N 3.01Å
613G43.5Very low55.4Low62 Ų6293.6 Ų93.664%0.63952%0.518SS*.THydrogen-bonded Turntrans-69.8-14.3174.600000115.7E609 K615E609-G613 PolarHBondContact O-N 2.91Å; G613-K615 VanDerWaalsContact C-N 3.31Å
614L40.2Very low54.8Low138 Ų13899.1 Ų99.172%0.72355%0.547SS*.THydrogen-bonded Turntrans-81.1-7.5177.7-88.4161.1000113.7E611 T612 T616E611-L614 PolarHBondContact O-N 3.3Å; T612-L614 VanDerWaalsContact C-N 3.28Å; T612-L614 PolarHBondContact O-N 2.73Å; L614-T616 PolarHBondContact O-N 2.92Å
615K40.2Very low54.3Low186 Ų186104 Ų10481%0.80957%0.572SS**SBendtrans-89.677.2167.6-73.9-178.9-179.8171.10109.9T612 G613 E617T612-K615 PolarHBondContact O-N 3.01Å; G613-K615 VanDerWaalsContact C-N 3.31Å; K615-E617 PolarHBondContact O-N 3.22Å; K615-E617 VanDerWaalsContact O-N 3.14Å
616T40.3Very low53.8Low116 Ų116104.6 Ų104.671%0.71257%0.572SS**  trans-59.6110173.3-3.50000110.6L614L614-T616 PolarHBondContact O-N 2.92Å
617E42.9Very low53.6Low168 Ų168107.6 Ų107.679%0.78559%0.587SS**  trans-68.9139.2148.5-73.7-158.115800108.1K615 F619K615-E617 PolarHBondContact O-N 3.22Å; K615-E617 VanDerWaalsContact O-N 3.14Å; E617-F619 PolarHBondContact O-N 2.88Å
618P42.8Very low53.7Low125 Ų125110 Ų11081%0.81259%0.589SS**  trans-69.999.9-176.827.5-33.8000110.6S620P618-S620 PolarHBondContact O-N 2.88Å
619F46.1Very low53.9Low143 Ų143113.7 Ų113.763%0.62760%0.603SS**  trans-57.9120.5174.7-109.4-99.2000110.7E617 Y630E617-F619 PolarHBondContact O-N 2.88Å; F619-Y630 HydrophobicContact CD1-CD2 4.26Å; F619-Y630 HydrophobicContact CD1-CE2 4.21Å; F619-Y630 HydrophobicContact CD2-CE2 4.03Å; F619-Y630 AromaticContact CD2-CZ 3.93Å; F619-Y630 AromaticContact CE1-CD2 3.77Å; F619-Y630 HydrophobicContact CE1-CD2 3.77Å; F619-Y630 AromaticContact CE1-CE2 3.76Å; F619-Y630 HydrophobicContact CE1-CE2 3.76Å; F619-Y630 HydrophobicContact CE1-CG 4.5Å; F619-Y630 HydrophobicContact CE2-CD2 4.41Å; F619-Y630 AromaticContact CE2-CE2 3.56Å; F619-Y630 HydrophobicContact CE2-CE2 3.56Å; F619-Y630 AromaticContact CE2-CZ 3.89Å; F619-Y630 HydrophobicContact CG-CE2 4.33Å; F619-Y630 AromaticContact CZ-CD2 3.86Å; F619-Y630 HydrophobicContact CZ-CD2 3.86Å; F619-Y630 AromaticContact CZ-CE2 3.42Å; F619-Y630 HydrophobicContact CZ-CE2 3.42Å; F619-Y630 VanDerWaalsContact CZ-CE2 3.42Å
620S54.7Low54.3Low107 Ų107112.8 Ų112.875%0.74860%0.596SS**  trans-116.368.6-179.5165.90000110.2P618P618-S620 PolarHBondContact O-N 2.88Å
621S49.5Very low55Low48 Ų48114.7 Ų114.734%0.33660%0.602SS.*  trans-78.5155.5170.453.80000111.5
622K56.3Low55.9Low199 Ų199113 Ų11387%0.86560%0.6SS**SBendtrans-113.40.1-176.4-72.3-177.4179.61750113.5E626K622-E626 PolarHBondContact N-OE2 2.7Å
623S66.4Low57.1Low49 Ų49114 Ų11434%0.34360%0.601SS.*SBendtrans-134.9154.1177.473.90000112.2E626S623-E626 PolarHBondContact N-OE2 2.96Å; S623-E626 VanDerWaalsContact N-OE2 3.11Å; S623-E626 WeakPolarHBondContact OG-CB 3.49Å; S623-E626 WeakPolarHBondContact OG-CG 3.5Å; S623-E626 PolarHBondContact OG-N 3.05Å; S623-E626 PolarHBondContact OG-OE2 2.95Å
624L68.1Low58.3Low144 Ų144115.3 Ų115.375%0.75459%0.593SS**Hα-helixtrans-73.3-31.9-177.5-151.2146.5000111.6L627 E628L624-L627 WeakPolarHBondContact O-CB 2.97Å; L624-L627 PolarHBondContact O-N 3.22Å; L624-E628 PolarHBondContact O-N 3.4Å
625L64.7Low59.8Low115 Ų115112.6 Ų112.660%0.60258%0.582SS**Hα-helixtrans-65.7-38.8175.5-71.7166.1000113.1L627 E628 Q629L625-L627 PolarHBondContact O-N 3.01Å; L625-E628 PolarHBondContact O-N 2.91Å; L625-Q629 WeakPolarHBondContact O-CB 3.38Å; L625-Q629 VanDerWaalsContact O-CG 3.25Å; L625-Q629 WeakPolarHBondContact O-CG 3.45Å; L625-Q629 PolarHBondContact O-N 3.4Å
626E66.7Low61.1Low98 Ų98107 Ų10746%0.45856%0.559SS.*Hα-helixtrans-64.8-31.5173.6-72.2162152.400111.5K622 S623 Y630K622-E626 PolarHBondContact N-OE2 2.7Å; S623-E626 PolarHBondContact N-OE2 2.96Å; S623-E626 VanDerWaalsContact N-OE2 3.11Å; S623-E626 WeakPolarHBondContact OG-CB 3.49Å; S623-E626 WeakPolarHBondContact OG-CG 3.5Å; S623-E626 PolarHBondContact OG-N 3.05Å; S623-E626 PolarHBondContact OG-OE2 2.95Å; E626-Y630 VanDerWaalsContact O-CB 3.25Å; E626-Y630 WeakPolarHBondContact O-CB 3.37Å; E626-Y630 PolarHBondContact O-N 2.99Å
627L66.7Low62.5Low80 Ų80102.7 Ų102.742%0.41954%0.537SS..Hα-helixtrans-76.9-41.1-179.9-141.7164.4000111.1L624 L625 Y630 Q631L624-L627 WeakPolarHBondContact O-CB 2.97Å; L624-L627 PolarHBondContact O-N 3.22Å; L625-L627 PolarHBondContact O-N 3.01Å; L627-Y630 PolarHBondContact O-N 3.29Å; L627-Q631 HydrophobicContact CD2-CG 4.31Å; L627-Q631 WeakPolarHBondContact O-CB 3.31Å; L627-Q631 WeakPolarHBondContact O-CG 3.45Å; L627-Q631 PolarHBondContact O-N 3.1Å
628E68.9Low63.8Low106 Ų10699.7 Ų99.750%0.49552%0.523SS..Hα-helixtrans-62.1-47.5171.5-173174.3-160.200111.3L624 L625 Y630 Q631 T632L624-E628 PolarHBondContact O-N 3.4Å; L625-E628 PolarHBondContact O-N 2.91Å; E628-Y630 VanDerWaalsContact C-N 3.34Å; E628-Y630 PolarHBondContact O-N 3.46Å; E628-Q631 PolarHBondContact O-N 3.43Å; E628-T632 PolarHBondContact O-N 3.16Å; E628-T632 PolarHBondContact O-OG1 3.47Å
629Q68.4Low65.2Low122 Ų12297.2 Ų97.257%0.5750%0.5SS*.Hα-helixtrans-59.8-42.7174.7-75.1174.46.100112.3L625 T632 L633L625-Q629 WeakPolarHBondContact O-CB 3.38Å; L625-Q629 VanDerWaalsContact O-CG 3.25Å; L625-Q629 WeakPolarHBondContact O-CG 3.45Å; L625-Q629 PolarHBondContact O-N 3.4Å; Q629-T632 VanDerWaalsContact CA-OG1 3.31Å; Q629-T632 WeakPolarHBondContact CA-OG1 3.46Å; Q629-T632 PolarHBondContact O-N 3.18Å; Q629-T632 PolarHBondContact O-OG1 3Å; Q629-L633 WeakPolarHBondContact O-CG 3.23Å; Q629-L633 PolarHBondContact O-N 3.46Å
630Y70.1Confident66.6Low83 Ų8394.5 Ų94.533%0.32549%0.49SS..Hα-helixtrans-63.7-42.2175.4-178.6-101.9000112.1F619 E626 L627 E628 L633 L634F619-Y630 HydrophobicContact CD1-CD2 4.26Å; F619-Y630 HydrophobicContact CD1-CE2 4.21Å; F619-Y630 HydrophobicContact CD2-CE2 4.03Å; F619-Y630 AromaticContact CD2-CZ 3.93Å; F619-Y630 AromaticContact CE1-CD2 3.77Å; F619-Y630 HydrophobicContact CE1-CD2 3.77Å; F619-Y630 AromaticContact CE1-CE2 3.76Å; F619-Y630 HydrophobicContact CE1-CE2 3.76Å; F619-Y630 HydrophobicContact CE1-CG 4.5Å; F619-Y630 HydrophobicContact CE2-CD2 4.41Å; F619-Y630 AromaticContact CE2-CE2 3.56Å; F619-Y630 HydrophobicContact CE2-CE2 3.56Å; F619-Y630 AromaticContact CE2-CZ 3.89Å; F619-Y630 HydrophobicContact CG-CE2 4.33Å; F619-Y630 AromaticContact CZ-CD2 3.86Å; F619-Y630 HydrophobicContact CZ-CD2 3.86Å; F619-Y630 AromaticContact CZ-CE2 3.42Å; F619-Y630 HydrophobicContact CZ-CE2 3.42Å; F619-Y630 VanDerWaalsContact CZ-CE2 3.42Å; E626-Y630 VanDerWaalsContact O-CB 3.25Å; E626-Y630 WeakPolarHBondContact O-CB 3.37Å; E626-Y630 PolarHBondContact O-N 2.99Å; L627-Y630 PolarHBondContact O-N 3.29Å; E628-Y630 VanDerWaalsContact C-N 3.34Å; E628-Y630 PolarHBondContact O-N 3.46Å; Y630-L633 PolarHBondContact O-N 2.93Å; Y630-L634 HydrophobicContact CD1-CD1 4.42Å; Y630-L634 HydrophobicContact CE1-CD1 3.69Å; Y630-L634 WeakPolarHBondContact O-CB 3.46Å; Y630-L634 PolarHBondContact O-N 3.37Å; Y630-L634 VanDerWaalsContact O-N 3.08Å
631Q66.4Low67.8Low117 Ų11790.8 Ų90.855%0.54746%0.46SS..Hα-helixtrans-63.8-42.7174.2-79-178.8-28.200112.1L627 E628 L633 L634 V635L627-Q631 HydrophobicContact CD2-CG 4.31Å; L627-Q631 WeakPolarHBondContact O-CB 3.31Å; L627-Q631 WeakPolarHBondContact O-CG 3.45Å; L627-Q631 PolarHBondContact O-N 3.1Å; E628-Q631 PolarHBondContact O-N 3.43Å; Q631-L633 PolarHBondContact O-N 3.23Å; Q631-L634 PolarHBondContact O-N 3.34Å; Q631-V635 WeakPolarHBondContact O-CG2 3.37Å; Q631-V635 PolarHBondContact O-N 2.88Å
632T66.4Low69.3Low75 Ų7594.1 Ų94.146%0.4647%0.473SS..Hα-helixtrans-60.7-44.6175.746.90000112E628 Q629 L634 V635 E636E628-T632 PolarHBondContact O-N 3.16Å; E628-T632 PolarHBondContact O-OG1 3.47Å; Q629-T632 VanDerWaalsContact CA-OG1 3.31Å; Q629-T632 WeakPolarHBondContact CA-OG1 3.46Å; Q629-T632 PolarHBondContact O-N 3.18Å; Q629-T632 PolarHBondContact O-OG1 3Å; T632-L634 VanDerWaalsContact C-N 3.26Å; T632-L634 PolarHBondContact O-N 3.25Å; T632-V635 PolarHBondContact O-N 3.16Å; T632-E636 WeakPolarHBondContact O-CB 3.38Å; T632-E636 VanDerWaalsContact O-CG 3.29Å; T632-E636 WeakPolarHBondContact O-CG 3.49Å; T632-E636 PolarHBondContact O-N 3.18Å
633L70.6Confident70.5Confident113 Ų11386.4 Ų86.459%0.59244%0.441SS*.Hα-helixtrans-60.6-36.4176.2-74.6164.7000112.5Q629 Y630 Q631 G637Q629-L633 WeakPolarHBondContact O-CG 3.23Å; Q629-L633 PolarHBondContact O-N 3.46Å; Y630-L633 PolarHBondContact O-N 2.93Å; Q631-L633 PolarHBondContact O-N 3.23Å; L633-G637 PolarHBondContact O-N 3.33Å
634L69.2Low71.3Confident89 Ų8984.3 Ų84.347%0.46643%0.426SS..Hα-helixtrans-73.4-36.8179.6-140.8151.2000111.6Y630 Q631 T632 Q638Y630-L634 HydrophobicContact CD1-CD1 4.42Å; Y630-L634 HydrophobicContact CE1-CD1 3.69Å; Y630-L634 WeakPolarHBondContact O-CB 3.46Å; Y630-L634 PolarHBondContact O-N 3.37Å; Y630-L634 VanDerWaalsContact O-N 3.08Å; Q631-L634 PolarHBondContact O-N 3.34Å; T632-L634 VanDerWaalsContact C-N 3.26Å; T632-L634 PolarHBondContact O-N 3.25Å; L634-Q638 WeakPolarHBondContact O-CG 3.3Å; L634-Q638 PolarHBondContact O-N 2.75Å
635V69.7Low72Confident82 Ų8281.9 Ų81.950%0.49741%0.414SS..Hα-helixtrans-67.7-47.1172171.90000110.9Q631 T632 G637 Q638 E639Q631-V635 WeakPolarHBondContact O-CG2 3.37Å; Q631-V635 PolarHBondContact O-N 2.88Å; T632-V635 PolarHBondContact O-N 3.16Å; V635-G637 VanDerWaalsContact C-N 3.27Å; V635-G637 PolarHBondContact O-N 2.94Å; V635-Q638 CarbonylContact O-C 3.53Å; V635-Q638 WeakPolarHBondContact O-CA 3.48Å; V635-Q638 PolarHBondContact O-N 3.43Å; V635-E639 HydrophobicContact CG1-CG 4.25Å; V635-E639 WeakPolarHBondContact O-CG 3.26Å; V635-E639 PolarHBondContact O-N 3Å
636E67.5Low73Confident69 Ų6977.9 Ų77.932%0.32239%0.392SS..Hα-helixtrans-56.9-40.4176.4-73.4-172.7131.100112.1K529 T632 Q638 E639 Q640K529-E636 IonicContact NZ-OE1 3.04Å; K529-E636 PolarHBondContact NZ-OE1 3.15Å; T632-E636 WeakPolarHBondContact O-CB 3.38Å; T632-E636 VanDerWaalsContact O-CG 3.29Å; T632-E636 WeakPolarHBondContact O-CG 3.49Å; T632-E636 PolarHBondContact O-N 3.18Å; E636-Q638 VanDerWaalsContact C-N 3.3Å; E636-Q638 PolarHBondContact O-N 3.12Å; E636-E639 PolarHBondContact O-N 3.42Å; E636-Q640 WeakPolarHBondContact O-CG 3.48Å; E636-Q640 PolarHBondContact O-N 3.1Å
637G69.6Low73.8Confident24 Ų2473.3 Ų73.325%0.24737%0.371CS..Hα-helixtrans-64.3-30.2174.100000113.8L633 V635 K641L633-G637 PolarHBondContact O-N 3.33Å; V635-G637 VanDerWaalsContact C-N 3.27Å; V635-G637 PolarHBondContact O-N 2.94Å; G637-K641 WeakPolarHBondContact O-CD 3.48Å; G637-K641 WeakPolarHBondContact O-CG 3.41Å; G637-K641 PolarHBondContact O-N 2.76Å
638Q71.2Confident74.6Confident105 Ų10570.1 Ų70.149%0.49135%0.354SS..Hα-helixtrans-81.3-37.6174.1-64.3-66.9-14.800112.1L634 V635 E636 Q640 K641 L642L634-Q638 WeakPolarHBondContact O-CG 3.3Å; L634-Q638 PolarHBondContact O-N 2.75Å; V635-Q638 CarbonylContact O-C 3.53Å; V635-Q638 WeakPolarHBondContact O-CA 3.48Å; V635-Q638 PolarHBondContact O-N 3.43Å; E636-Q638 VanDerWaalsContact C-N 3.3Å; E636-Q638 PolarHBondContact O-N 3.12Å; Q638-Q640 PolarHBondContact O-N 3.37Å; Q638-K641 WeakPolarHBondContact O-CB 3.42Å; Q638-K641 PolarHBondContact O-N 3.26Å; Q638-L642 PolarHBondContact O-N 3.34Å
639E72.5Confident75.4Confident73 Ų7367.4 Ų67.434%0.34135%0.35SS..Hα-helixtrans-56.8-48.2172.1-71.6-179.4158.900110.7K529 V635 E636 K641 L642 L643K529-E639 IonicContact NZ-OE2 3.06Å; V635-E639 HydrophobicContact CG1-CG 4.25Å; V635-E639 WeakPolarHBondContact O-CG 3.26Å; V635-E639 PolarHBondContact O-N 3Å; E636-E639 PolarHBondContact O-N 3.42Å; E639-K641 VanDerWaalsContact C-N 3.32Å; E639-K641 PolarHBondContact O-N 2.91Å; E639-L642 PolarHBondContact O-N 3.27Å; E639-L643 WeakPolarHBondContact O-CB 3.27Å; E639-L643 VanDerWaalsContact O-CG 3.29Å; E639-L643 WeakPolarHBondContact O-CG 3.5Å; E639-L643 PolarHBondContact O-N 3.35Å
640Q75.5Confident76.2Confident86 Ų8662 Ų6240%0.40233%0.325SS..Hα-helixtrans-59.1-41176.4-76.1-179-2500112.4E636 Q638 L643 V644E636-Q640 WeakPolarHBondContact O-CG 3.48Å; E636-Q640 PolarHBondContact O-N 3.1Å; Q638-Q640 PolarHBondContact O-N 3.37Å; Q640-L643 PolarHBondContact O-N 3.15Å; Q640-V644 WeakPolarHBondContact O-CG2 3.46Å; Q640-V644 PolarHBondContact O-N 3.12Å
641K78.6Confident76.8Confident30 Ų3058 Ų5813%0.1331%0.309CS..Hα-helixtrans-63.2-44.1177.3-71.7175.1178.8-168.90112.1V606 N610 G637 Q638 E639 L645V606-K641 HydrophobicContact CB-CG 4.24Å; V606-K641 HydrophobicContact CG1-CB 4.07Å; V606-K641 HydrophobicContact CG1-CD 3.92Å; V606-K641 HydrophobicContact CG1-CG 3.58Å; V606-K641 HydrophobicContact CG2-CG 3.72Å; N610-K641 PolarHBondContact OD1-NZ 3.01Å; G637-K641 WeakPolarHBondContact O-CD 3.48Å; G637-K641 WeakPolarHBondContact O-CG 3.41Å; G637-K641 PolarHBondContact O-N 2.76Å; Q638-K641 WeakPolarHBondContact O-CB 3.42Å; Q638-K641 PolarHBondContact O-N 3.26Å; E639-K641 VanDerWaalsContact C-N 3.32Å; E639-K641 PolarHBondContact O-N 2.91Å; K641-L645 WeakPolarHBondContact O-CG 3.26Å; K641-L645 PolarHBondContact O-N 2.63Å; K641-L645 VanDerWaalsContact O-N 3.17Å
642L81.2Confident77.6Confident117 Ų11756.6 Ų56.661%0.61331%0.311SS*.Hα-helixtrans-64.3-45.7176.8-173.765.9000111.4Q638 E639 V644 L645 Q646Q638-L642 PolarHBondContact O-N 3.34Å; E639-L642 PolarHBondContact O-N 3.27Å; L642-V644 PolarHBondContact O-N 2.92Å; L642-L645 PolarHBondContact O-N 2.95Å; L642-Q646 WeakPolarHBondContact O-CB 3.43Å; L642-Q646 PolarHBondContact O-N 2.88Å
643L81.3Confident78.4Confident37 Ų3760 Ų6019%0.19432%0.322CS..Hα-helixtrans-60.5-42.3177.8-72.7168.8000112.3L527 E639 Q640 Q646 L647L527-L643 HydrophobicContact CD2-CB 4.13Å; E639-L643 WeakPolarHBondContact O-CB 3.27Å; E639-L643 VanDerWaalsContact O-CG 3.29Å; E639-L643 WeakPolarHBondContact O-CG 3.5Å; E639-L643 PolarHBondContact O-N 3.35Å; Q640-L643 PolarHBondContact O-N 3.15Å; L643-Q646 PolarHBondContact O-N 3.3Å; L643-L647 WeakPolarHBondContact O-CB 3.38Å; L643-L647 PolarHBondContact O-N 2.87Å
644V84.1Confident78.6Confident5 Ų560.8 Ų60.83%0.0332%0.317CS..Hα-helixtrans-63.1-43175.9170.30000111.5L527 E602 L603 Q640 L642 M648L527-V644 HydrophobicContact CD1-CG2 4.45Å; L527-V644 HydrophobicContact CD2-CG2 3.73Å; E602-V644 HydrophobicContact CB-CG1 4.21Å; E602-V644 HydrophobicContact CB-CG2 4.15Å; L603-V644 HydrophobicContact CB-CG1 4Å; Q640-V644 WeakPolarHBondContact O-CG2 3.46Å; Q640-V644 PolarHBondContact O-N 3.12Å; L642-V644 PolarHBondContact O-N 2.92Å; V644-M648 WeakPolarHBondContact O-CB 3.49Å; V644-M648 WeakPolarHBondContact O-CG 3.46Å; V644-M648 PolarHBondContact O-N 2.91Å
645L83.6Confident78.7Confident93 Ų9357.6 Ų57.649%0.48730%0.3SS..Hα-helixtrans-63.9-47.3177.2-74.9166.9000112.1L603 K641 L642 M648 A649L603-L645 HydrophobicContact CD1-CD2 3.57Å; L603-L645 HydrophobicContact CD1-CG 4.3Å; K641-L645 WeakPolarHBondContact O-CG 3.26Å; K641-L645 PolarHBondContact O-N 2.63Å; K641-L645 VanDerWaalsContact O-N 3.17Å; L642-L645 PolarHBondContact O-N 2.95Å; L645-M648 PolarHBondContact O-N 3Å; L645-A649 PolarHBondContact O-N 3.44Å
646Q83.9Confident78.5Confident32 Ų3256.2 Ų56.215%0.1529%0.294CS..Hα-helixtrans-63.1-43178.9-173.4-162.5-20.800111.7V576 L642 L643 M648 A649 V650V576-Q646 HydrophobicContact CG1-CG 4.32Å; L642-Q646 WeakPolarHBondContact O-CB 3.43Å; L642-Q646 PolarHBondContact O-N 2.88Å; L643-Q646 PolarHBondContact O-N 3.3Å; Q646-M648 VanDerWaalsContact C-N 3.32Å; Q646-M648 PolarHBondContact O-N 2.87Å; Q646-A649 PolarHBondContact O-N 3.41Å; Q646-V650 PolarHBondContact O-N 3.25Å
647L84.7Confident78.2Confident2 Ų260.6 Ų60.61%0.0131%0.314CS..Hα-helixtrans-63.6-37.8175.8-177.461.8000111.8A525 L527 V576 L579 F595 C599 L643 L651A525-L647 HydrophobicContact CB-CD2 4.07Å; L527-L647 HydrophobicContact CD1-CD2 4.12Å; V576-L647 HydrophobicContact CG1-CB 4.18Å; V576-L647 HydrophobicContact CG1-CD1 3.87Å; L579-L647 HydrophobicContact CD2-CD1 4.06Å; F595-L647 HydrophobicContact CE1-CD1 4.11Å; F595-L647 HydrophobicContact CE1-CD2 3.83Å; F595-L647 HydrophobicContact CE1-CG 4.34Å; F595-L647 HydrophobicContact CZ-CD2 3.78Å; C599-L647 WeakPolarHBondContact SG-CD2 3.48Å; L643-L647 WeakPolarHBondContact O-CB 3.38Å; L643-L647 PolarHBondContact O-N 2.87Å; L647-L651 HydrophobicContact CD1-CD1 4.18Å; L647-L651 HydrophobicContact CD1-CG 4.3Å; L647-L651 HydrophobicContact CG-CD1 4.03Å; L647-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 WeakPolarHBondContact O-CG 3.44Å; L647-L651 PolarHBondContact O-N 3.49Å
648M84.2Confident78Confident13 Ų1366.5 Ų66.56%0.06434%0.335CS..Hα-helixtrans-66.6-39.1173.6-69.4-86.470.300112.5F596 C599 L600 L603 V644 L645 Q646 L651 C652F596-M648 HydrophobicContact CD2-CE 3.32Å; F596-M648 HydrophobicContact CE2-CE 3.52Å; F596-M648 HydrophobicContact CG-CE 4.17Å; F596-M648 HydrophobicContact CZ-CE 4.5Å; C599-M648 HydrophobicContact CB-CE 3.39Å; C599-M648 HydrophobicContact CB-CG 4.13Å; C599-M648 HydrophobicContact CB-SD 3.66Å; L600-M648 HydrophobicContact CB-SD 4.47Å; L600-M648 HydrophobicContact CD2-SD 3.66Å; L600-M648 HydrophobicContact CG-CE 4.45Å; L600-M648 HydrophobicContact CG-SD 3.76Å; L603-M648 HydrophobicContact CD2-CG 4.43Å; V644-M648 WeakPolarHBondContact O-CB 3.49Å; V644-M648 WeakPolarHBondContact O-CG 3.46Å; V644-M648 PolarHBondContact O-N 2.91Å; L645-M648 PolarHBondContact O-N 3Å; Q646-M648 VanDerWaalsContact C-N 3.32Å; Q646-M648 PolarHBondContact O-N 2.87Å; M648-L651 HydrophobicContact CE-CB 4.43Å; M648-L651 HydrophobicContact CE-CD1 3.85Å; M648-C652 WeakPolarHBondContact O-CB 3.4Å; M648-C652 PolarHBondContact O-N 3.33Å; M648-C652 PolarHBondContact O-SG 2.9Å
649A84.6Confident78Confident49 Ų4963 Ų6341%0.40532%0.32SS..Hα-helixtrans-61.1-53.417400000111.6L645 Q646 L651 C652 E653L645-A649 PolarHBondContact O-N 3.44Å; Q646-A649 PolarHBondContact O-N 3.41Å; A649-L651 VanDerWaalsContact C-N 3.34Å; A649-L651 PolarHBondContact O-N 3.11Å; A649-C652 PolarHBondContact O-N 3.16Å; A649-C652 VanDerWaalsContact O-N 3.1Å; A649-E653 WeakPolarHBondContact O-CG 3.48Å; A649-E653 PolarHBondContact O-N 3.42Å
650V84.9Confident78.3Confident7 Ų762 Ų624%0.04232%0.315CS..Hα-helixtrans-61.3-39.7-179.5171.40000112.2V576 E577 Q646 E653 R654V576-V650 HydrophobicContact CG1-CB 4.05Å; V576-V650 HydrophobicContact CG1-CG1 4.42Å; V576-V650 HydrophobicContact CG1-CG2 3.89Å; E577-V650 HydrophobicContact CG-CG2 4.27Å; Q646-V650 PolarHBondContact O-N 3.25Å; V650-E653 PolarHBondContact O-N 3.04Å; V650-R654 HydrophobicContact CG1-CG 4.18Å; V650-R654 WeakPolarHBondContact O-CB 3.49Å; V650-R654 WeakPolarHBondContact O-CG 3.27Å; V650-R654 PolarHBondContact O-N 3.44Å
651L83.7Confident78.3Confident1 Ų161 Ų611%0.00531%0.314CS..Hα-helixtrans-66.2-38.6175.6-71.6172.2000112L583 F595 F596 L647 M648 A649 M655L583-L651 HydrophobicContact CD1-CD2 3.88Å; F595-L651 HydrophobicContact CD1-CD1 4.23Å; F595-L651 HydrophobicContact CE1-CD1 4.44Å; F596-L651 HydrophobicContact CD2-CB 4Å; F596-L651 HydrophobicContact CD2-CD1 4.25Å; F596-L651 HydrophobicContact CE2-CB 4.47Å; L647-L651 HydrophobicContact CD1-CD1 4.18Å; L647-L651 HydrophobicContact CD1-CG 4.3Å; L647-L651 HydrophobicContact CG-CD1 4.03Å; L647-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 WeakPolarHBondContact O-CG 3.44Å; L647-L651 PolarHBondContact O-N 3.49Å; M648-L651 HydrophobicContact CE-CB 4.43Å; M648-L651 HydrophobicContact CE-CD1 3.85Å; A649-L651 VanDerWaalsContact C-N 3.34Å; A649-L651 PolarHBondContact O-N 3.11Å; L651-M655 HydrophobicContact CD2-CE 3.68Å; L651-M655 HydrophobicContact CD2-CG 4.35Å; L651-M655 WeakPolarHBondContact O-CB 3.36Å; L651-M655 WeakPolarHBondContact O-CG 3.31Å; L651-M655 PolarHBondContact O-N 3.49Å
652C82.1Confident78.2Confident86 Ų8663.2 Ų63.258%0.58133%0.327SS*.Hα-helixtrans-68.1-32.4175.2-73.20000113.3M648 A649M648-C652 WeakPolarHBondContact O-CB 3.4Å; M648-C652 PolarHBondContact O-N 3.33Å; M648-C652 PolarHBondContact O-SG 2.9Å; A649-C652 PolarHBondContact O-N 3.16Å; A649-C652 VanDerWaalsContact O-N 3.1Å
653E83.8Confident78.2Confident147 Ų14759.4 Ų59.469%0.68731%0.307SS*.Hα-helixtrans-77.5-37.6177.6-72.6177.9-176.100113.6A649 V650A649-E653 WeakPolarHBondContact O-CG 3.48Å; A649-E653 PolarHBondContact O-N 3.42Å; V650-E653 PolarHBondContact O-N 3.04Å
654R75Confident78.3Confident129 Ų12960.6 Ų60.649%0.48732%0.316SS..Hα-helixtrans-96.4-14-170.1-62-64.1177.8164.70.1114.6V650V650-R654 HydrophobicContact CG1-CG 4.18Å; V650-R654 WeakPolarHBondContact O-CB 3.49Å; V650-R654 WeakPolarHBondContact O-CG 3.27Å; V650-R654 PolarHBondContact O-N 3.44Å
655M72.2Confident78.3Confident22 Ų2260.6 Ų60.611%0.10832%0.316CS..  trans-98.9140.6-178-59.8-65.315400112.1G580 L583 A592 L651 I659G580-M655 WeakPolarHBondContact O-CE 3.37Å; L583-M655 HydrophobicContact CB-CE 3.46Å; L583-M655 VanDerWaalsContact CB-CE 3.46Å; A592-M655 HydrophobicContact CB-SD 4.27Å; L651-M655 HydrophobicContact CD2-CE 3.68Å; L651-M655 HydrophobicContact CD2-CG 4.35Å; L651-M655 WeakPolarHBondContact O-CB 3.36Å; L651-M655 WeakPolarHBondContact O-CG 3.31Å; L651-M655 PolarHBondContact O-N 3.49Å; M655-I659 HydrophobicContact CB-CD1 3.56Å; M655-I659 HydrophobicContact CB-CG1 3.49Å; M655-I659 VanDerWaalsContact CB-CG1 3.49Å; M655-I659 HydrophobicContact CG-CD1 4.48Å; M655-I659 HydrophobicContact CG-CG1 4.23Å
656S64.6Low78.3Confident53 Ų5357.1 Ų57.137%0.37130%0.298SS..  trans-87.1-179.1-177.567.20000112.5Q658 I659S656-Q658 PolarHBondContact O-N 2.9Å; S656-I659 WeakPolarHBondContact O-CG1 3.41Å
657E61.6Low78.3Confident161 Ų16155.6 Ų55.675%0.75229%0.291SS*.THydrogen-bonded Turntrans-58.8-4.9175.9-55.5-171.5155.800115.2K771E657-K771 IonicContact OE1-NZ 2.86Å; E657-K771 PolarHBondContact OE1-NZ 2.99Å; E657-K771 IonicContact OE2-NZ 2.71Å; E657-K771 PolarHBondContact OE2-NZ 2.91Å
658Q65.9Low78.3Confident148 Ų14858 Ų5869%0.69230%0.304SS*.THydrogen-bonded Turntrans-110.820.1-171.2-59.4-174.24.700114.6S656 F660S656-Q658 PolarHBondContact O-N 2.9Å; Q658-F660 VanDerWaalsContact C-N 3.26Å; Q658-F660 PolarHBondContact O-N 3.48Å
659I70.8Confident78.4Confident31 Ų3159 Ų5916%0.15931%0.309CS..  trans-51.1-41.3179.7-68.5153.6000113.5M655 S656M655-I659 HydrophobicContact CB-CD1 3.56Å; M655-I659 HydrophobicContact CB-CG1 3.49Å; M655-I659 VanDerWaalsContact CB-CG1 3.49Å; M655-I659 HydrophobicContact CG-CD1 4.48Å; M655-I659 HydrophobicContact CG-CG1 4.23Å; S656-I659 WeakPolarHBondContact O-CG1 3.41Å
660F78.4Confident78.5Confident54 Ų5456.8 Ų56.824%0.23729%0.29CS..  trans-97.1107.7-173.9-56.5-54.5000110.7F596 I597 Q658 Q665 V666 F669F596-F660 HydrophobicContact CD1-CE1 4.1Å; F596-F660 AromaticContact CD1-CZ 3.87Å; F596-F660 HydrophobicContact CD1-CZ 3.87Å; F596-F660 AromaticContact CE1-CZ 3.95Å; F596-F660 HydrophobicContact CE1-CZ 3.95Å; I597-F660 HydrophobicContact CD1-CD1 4.32Å; I597-F660 HydrophobicContact CD1-CE1 3.9Å; I597-F660 HydrophobicContact CG1-CE1 3.97Å; Q658-F660 VanDerWaalsContact C-N 3.26Å; Q658-F660 PolarHBondContact O-N 3.48Å; F660-Q665 HydrophobicContact CB-CB 4.37Å; F660-Q665 HydrophobicContact CD1-CB 3.87Å; F660-Q665 HydrophobicContact CG-CB 4.49Å; F660-V666 HydrophobicContact CB-CG2 3.71Å; F660-V666 HydrophobicContact CD2-CG2 4.4Å; F660-V666 HydrophobicContact CG-CG2 4.22Å; F660-F669 HydrophobicContact CE1-CB 4.1Å; F660-F669 HydrophobicContact CE1-CG 4.43Å; F660-F669 HydrophobicContact CE2-CB 4.28Å; F660-F669 HydrophobicContact CE2-CD1 4.11Å; F660-F669 HydrophobicContact CE2-CD2 4.24Å; F660-F669 AromaticContact CE2-CG 3.95Å; F660-F669 HydrophobicContact CE2-CG 3.95Å; F660-F669 HydrophobicContact CZ-CB 3.75Å; F660-F669 HydrophobicContact CZ-CD1 4.25Å; F660-F669 AromaticContact CZ-CD2 3.65Å; F660-F669 HydrophobicContact CZ-CD2 3.65Å; F660-F669 HydrophobicContact CZ-CE2 4.32Å; F660-F669 AromaticContact CZ-CG 3.61Å; F660-F669 HydrophobicContact CZ-CG 3.61Å
661T75.6Confident78.5Confident64 Ų6457 Ų5739%0.39329%0.293SS..  trans-89-15.2-178.959.70000112.9G590 Q665G590-T661 WeakPolarHBondContact CA-OG1 3.5Å; T661-Q665 PolarHBondContact OG1-OE1 3.21Å
662N77.2Confident78.5Confident76 Ų7657.1 Ų57.141%0.40629%0.294SS..SBendtrans-133.3145.3-174.7-67.3-80000112.7T664 Q665 V666N662-T664 PolarHBondContact O-N 3.09Å; N662-T664 VanDerWaalsContact O-N 3.16Å; N662-Q665 HydrophobicContact CB-CG 4.33Å; N662-Q665 WeakPolarHBondContact O-CB 3.48Å; N662-Q665 PolarHBondContact O-N 2.91Å; N662-V666 PolarHBondContact O-N 3.25Å
663I80.6Confident78.6Confident38 Ų3853.4 Ų53.420%0.19527%0.268CS..Hα-helixtrans-52.5-37.2173.1-71.6164.7000111.7Q665 V666 V667 M704 V709 L711 D715I663-Q665 VanDerWaalsContact C-N 3.32Å; I663-Q665 PolarHBondContact O-N 2.64Å; I663-V666 PolarHBondContact O-N 3.07Å; I663-V667 HydrophobicContact CG2-CG2 4.35Å; I663-V667 WeakPolarHBondContact O-CG2 3.49Å; I663-V667 PolarHBondContact O-N 3.08Å; I663-M704 HydrophobicContact CB-CE 4.16Å; I663-M704 HydrophobicContact CG1-CE 3.92Å; I663-M704 HydrophobicContact CG2-CE 3.73Å; I663-V709 HydrophobicContact CD1-CG1 4.1Å; I663-V709 HydrophobicContact CG1-CG1 4.5Å; I663-L711 HydrophobicContact CD1-CD2 3.96Å; I663-D715 HydrophobicContact CD1-CB 4.32Å; I663-D715 HydrophobicContact CG2-CB 4.22Å
664T83Confident78.6Confident62 Ų6246.4 Ų46.438%0.3824%0.235SC..Hα-helixtrans-58.5-42.5176.550.90000112.5N662 V667 D668 V718N662-T664 PolarHBondContact O-N 3.09Å; N662-T664 VanDerWaalsContact O-N 3.16Å; T664-V667 PolarHBondContact O-N 2.95Å; T664-D668 WeakPolarHBondContact O-CB 3.38Å; T664-D668 PolarHBondContact O-N 2.82Å; T664-V718 HydrophobicContact CG2-CG1 4.08Å; T664-V718 HydrophobicContact CG2-CG2 4.04Å
665Q83.3Confident79Confident4 Ų445.2 Ų45.22%0.01924%0.235CC..Hα-helixtrans-69-39.1179.8-63.9176.9-35.200111.5G590 D594 I597 F660 T661 N662 I663 V667 D668 F669G590-Q665 PolarHBondContact O-NE2 2.84Å; D594-Q665 PolarHBondContact OD1-NE2 2.78Å; I597-Q665 HydrophobicContact CD1-CB 3.87Å; I597-Q665 HydrophobicContact CD1-CG 4.41Å; I597-Q665 VanDerWaalsContact CD1-O 3.23Å; I597-Q665 WeakPolarHBondContact CD1-O 3.49Å; F660-Q665 HydrophobicContact CB-CB 4.37Å; F660-Q665 HydrophobicContact CD1-CB 3.87Å; F660-Q665 HydrophobicContact CG-CB 4.49Å; T661-Q665 PolarHBondContact OG1-OE1 3.21Å; N662-Q665 HydrophobicContact CB-CG 4.33Å; N662-Q665 WeakPolarHBondContact O-CB 3.48Å; N662-Q665 PolarHBondContact O-N 2.91Å; I663-Q665 VanDerWaalsContact C-N 3.32Å; I663-Q665 PolarHBondContact O-N 2.64Å; Q665-V667 VanDerWaalsContact C-N 3.33Å; Q665-V667 PolarHBondContact O-N 3.26Å; Q665-D668 PolarHBondContact O-N 2.78Å; Q665-F669 VanDerWaalsContact O-CB 3.28Å; Q665-F669 WeakPolarHBondContact O-CB 3.49Å; Q665-F669 PolarHBondContact O-N 3.47Å
666V83.9Confident79.3Confident20 Ų2046.8 Ų46.812%0.12124%0.24CC..Hα-helixtrans-62.1-43.3174.2-177.30000110.8F660 N662 I663 F669 V670 L700 M704F660-V666 HydrophobicContact CB-CG2 3.71Å; F660-V666 HydrophobicContact CD2-CG2 4.4Å; F660-V666 HydrophobicContact CG-CG2 4.22Å; N662-V666 PolarHBondContact O-N 3.25Å; I663-V666 PolarHBondContact O-N 3.07Å; V666-F669 PolarHBondContact O-N 3.03Å; V666-V670 VanDerWaalsContact O-CG2 3.31Å; V666-V670 WeakPolarHBondContact O-CG2 3.39Å; V666-V670 PolarHBondContact O-N 3.27Å; V666-L700 HydrophobicContact CG1-CD2 3.6Å; V666-L700 HydrophobicContact CG1-CG 3.9Å; V666-M704 HydrophobicContact CB-CE 4.25Å; V666-M704 HydrophobicContact CB-SD 4.19Å; V666-M704 HydrophobicContact CG1-CE 4.18Å; V666-M704 HydrophobicContact CG1-SD 3.48Å; V666-M704 WeakPolarHBondContact CG1-SD 3.4Å
667V84.2Confident79.9Confident1 Ų144.6 Ų44.61%0.00623%0.225CC..Hα-helixtrans-67.6-41.6176.4175.60000111.8I663 T664 Q665 F669 V670 A671 V718 L719 L722I663-V667 HydrophobicContact CG2-CG2 4.35Å; I663-V667 WeakPolarHBondContact O-CG2 3.49Å; I663-V667 PolarHBondContact O-N 3.08Å; T664-V667 PolarHBondContact O-N 2.95Å; Q665-V667 VanDerWaalsContact C-N 3.33Å; Q665-V667 PolarHBondContact O-N 3.26Å; V667-F669 VanDerWaalsContact C-N 3.35Å; V667-F669 PolarHBondContact O-N 2.67Å; V667-V670 PolarHBondContact O-N 3.09Å; V667-A671 VanDerWaalsContact O-CB 3.29Å; V667-A671 WeakPolarHBondContact O-CB 3.47Å; V667-A671 PolarHBondContact O-N 2.93Å; V667-V718 HydrophobicContact CB-CG1 3.99Å; V667-V718 HydrophobicContact CG1-CG1 3.94Å; V667-V718 HydrophobicContact CG2-CG1 4.3Å; V667-L719 HydrophobicContact CG2-CD2 3.64Å; V667-L719 HydrophobicContact CG2-CG 4.08Å; V667-L722 HydrophobicContact CG1-CD1 4.14Å; V667-L722 HydrophobicContact CG1-CD2 3.92Å; V667-L722 HydrophobicContact CG1-CG 3.86Å
668D84.8Confident80.6Confident53 Ų5337.1 Ų37.128%0.28319%0.191SC..Hα-helixtrans-64-37.1175.8-100.8-61.2000112.7I597 K601 T664 Q665 A672I597-D668 HydrophobicContact CD1-CB 4.01Å; I597-D668 HydrophobicContact CG2-CB 4.11Å; K601-D668 IonicContact NZ-OD1 3.37Å; K601-D668 PolarHBondContact NZ-OD1 2.89Å; T664-D668 WeakPolarHBondContact O-CB 3.38Å; T664-D668 PolarHBondContact O-N 2.82Å; Q665-D668 PolarHBondContact O-N 2.78Å; D668-A672 WeakPolarHBondContact O-CB 3.41Å; D668-A672 PolarHBondContact O-N 3.1Å
669F86.4Confident81Confident34 Ų3431.1 Ų31.115%0.14917%0.166CC..Hα-helixtrans-63.4-51.8172.5167.1-103.7000110.9F596 I597 L600 F660 Q665 V666 V667 A671 A672 T673 L700F596-F669 HydrophobicContact CE1-CD2 4.04Å; F596-F669 AromaticContact CE1-CE2 3.95Å; F596-F669 HydrophobicContact CE1-CE2 3.95Å; I597-F669 HydrophobicContact CD1-CB 4.35Å; I597-F669 HydrophobicContact CG1-CB 4.15Å; L600-F669 HydrophobicContact CD1-CD2 3.49Å; L600-F669 VanDerWaalsContact CD1-CD2 3.49Å; L600-F669 HydrophobicContact CD1-CE2 3.6Å; F660-F669 HydrophobicContact CE1-CB 4.1Å; F660-F669 HydrophobicContact CE1-CG 4.43Å; F660-F669 HydrophobicContact CE2-CB 4.28Å; F660-F669 HydrophobicContact CE2-CD1 4.11Å; F660-F669 HydrophobicContact CE2-CD2 4.24Å; F660-F669 AromaticContact CE2-CG 3.95Å; F660-F669 HydrophobicContact CE2-CG 3.95Å; F660-F669 HydrophobicContact CZ-CB 3.75Å; F660-F669 HydrophobicContact CZ-CD1 4.25Å; F660-F669 AromaticContact CZ-CD2 3.65Å; F660-F669 HydrophobicContact CZ-CD2 3.65Å; F660-F669 HydrophobicContact CZ-CE2 4.32Å; F660-F669 AromaticContact CZ-CG 3.61Å; F660-F669 HydrophobicContact CZ-CG 3.61Å; Q665-F669 VanDerWaalsContact O-CB 3.28Å; Q665-F669 WeakPolarHBondContact O-CB 3.49Å; Q665-F669 PolarHBondContact O-N 3.47Å; V666-F669 PolarHBondContact O-N 3.03Å; V667-F669 VanDerWaalsContact C-N 3.35Å; V667-F669 PolarHBondContact O-N 2.67Å; F669-A671 VanDerWaalsContact C-N 3.31Å; F669-A671 PolarHBondContact O-N 3.23Å; F669-A672 WeakPolarHBondContact O-CB 3.31Å; F669-A672 PolarHBondContact O-N 2.77Å; F669-A672 VanDerWaalsContact O-N 3.15Å; F669-T673 HydrophobicContact CD2-CG2 4.38Å; F669-T673 HydrophobicContact CE1-CG2 4.34Å; F669-T673 HydrophobicContact CE2-CG2 3.91Å; F669-T673 HydrophobicContact CZ-CG2 3.89Å; F669-T673 PolarHBondContact O-N 3.26Å; F669-L700 HydrophobicContact CD1-CD2 4.34Å; F669-L700 HydrophobicContact CE1-CD2 4.37Å
670V86Confident81Confident1 Ų130.6 Ų30.61%0.00617%0.166CC..Hα-helixtrans-62.9-39.1177.5176.30000111V666 V667 A672 T673 L674 S697 L700 V701 L722V666-V670 VanDerWaalsContact O-CG2 3.31Å; V666-V670 WeakPolarHBondContact O-CG2 3.39Å; V666-V670 PolarHBondContact O-N 3.27Å; V667-V670 PolarHBondContact O-N 3.09Å; V670-A672 VanDerWaalsContact C-N 3.31Å; V670-A672 PolarHBondContact O-N 3.08Å; V670-T673 WeakPolarHBondContact CA-OG1 3.39Å; V670-T673 PolarHBondContact O-N 2.94Å; V670-T673 PolarHBondContact O-OG1 3.25Å; V670-L674 HydrophobicContact CG1-CD1 3.71Å; V670-L674 HydrophobicContact CG1-CG 3.87Å; V670-L674 WeakPolarHBondContact O-CB 3.29Å; V670-L674 WeakPolarHBondContact O-CG 3.15Å; V670-L674 PolarHBondContact O-N 3.05Å; V670-S697 WeakPolarHBondContact CG2-O 3.28Å; V670-L700 HydrophobicContact CG2-CD2 4.48Å; V670-V701 HydrophobicContact CB-CG2 4.23Å; V670-V701 HydrophobicContact CG1-CG2 3.75Å; V670-V701 HydrophobicContact CG2-CG2 3.91Å; V670-L722 HydrophobicContact CB-CD2 4.38Å; V670-L722 HydrophobicContact CG1-CD1 4.19Å; V670-L722 HydrophobicContact CG1-CD2 4.17Å
671A85.4Confident80.4Confident13 Ų1330.2 Ų30.211%0.10717%0.166CC..Hα-helixtrans-58.9-43.7174.400000111.5V667 F669 Q675 L722 L725V667-A671 VanDerWaalsContact O-CB 3.29Å; V667-A671 WeakPolarHBondContact O-CB 3.47Å; V667-A671 PolarHBondContact O-N 2.93Å; F669-A671 VanDerWaalsContact C-N 3.31Å; F669-A671 PolarHBondContact O-N 3.23Å; A671-Q675 WeakPolarHBondContact O-CB 3.31Å; A671-Q675 PolarHBondContact O-N 2.91Å; A671-L722 HydrophobicContact CB-CD2 3.79Å; A671-L725 HydrophobicContact CB-CD1 4.05Å; A671-L725 WeakPolarHBondContact O-CD1 3.44Å
672A84.4Confident79.7Confident3 Ų330.7 Ų30.73%0.02518%0.176CC..Hα-helixtrans-65-43.1176.100000112.6K601 D668 F669 V670 Q675 R676K601-A672 HydrophobicContact CG-CB 3.93Å; D668-A672 WeakPolarHBondContact O-CB 3.41Å; D668-A672 PolarHBondContact O-N 3.1Å; F669-A672 WeakPolarHBondContact O-CB 3.31Å; F669-A672 PolarHBondContact O-N 2.77Å; F669-A672 VanDerWaalsContact O-N 3.15Å; V670-A672 VanDerWaalsContact C-N 3.31Å; V670-A672 PolarHBondContact O-N 3.08Å; A672-Q675 PolarHBondContact O-N 3.25Å; A672-R676 WeakPolarHBondContact O-CB 3.43Å; A672-R676 PolarHBondContact O-N 3Å
673T84.1Confident78.8Confident7 Ų730.4 Ų30.44%0.04317%0.172CC..Hα-helixtrans-68.1-41.8178.359.40000112.4F669 V670 R676 A677 T693 S697F669-T673 HydrophobicContact CD2-CG2 4.38Å; F669-T673 HydrophobicContact CE1-CG2 4.34Å; F669-T673 HydrophobicContact CE2-CG2 3.91Å; F669-T673 HydrophobicContact CZ-CG2 3.89Å; F669-T673 PolarHBondContact O-N 3.26Å; V670-T673 WeakPolarHBondContact CA-OG1 3.39Å; V670-T673 PolarHBondContact O-N 2.94Å; V670-T673 PolarHBondContact O-OG1 3.25Å; T673-R676 PolarHBondContact O-N 3.46Å; T673-A677 PolarHBondContact O-N 3.29Å; T673-T693 HydrophobicContact CG2-CG2 4.48Å; T673-S697 VanDerWaalsContact OG1-CB 3.23Å; T673-S697 WeakPolarHBondContact OG1-CB 3.45Å; T673-S697 PolarHBondContact OG1-OG 2.89Å; T673-S697 VanDerWaalsContact OG1-OG 3.12Å
674L83.5Confident77.6Confident0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-62.8-41.7173.7-65.2174.6000111V670 A677 C678 L694 M698 L722 L725 L726 I729V670-L674 HydrophobicContact CG1-CD1 3.71Å; V670-L674 HydrophobicContact CG1-CG 3.87Å; V670-L674 WeakPolarHBondContact O-CB 3.29Å; V670-L674 WeakPolarHBondContact O-CG 3.15Å; V670-L674 PolarHBondContact O-N 3.05Å; L674-A677 PolarHBondContact O-N 3.06Å; L674-C678 VanDerWaalsContact O-CB 3.29Å; L674-C678 WeakPolarHBondContact O-CB 3.35Å; L674-C678 PolarHBondContact O-N 3.28Å; L674-C678 PolarHBondContact O-SG 3.07Å; L674-L694 HydrophobicContact CD2-CD1 3.46Å; L674-L694 VanDerWaalsContact CD2-CD1 3.46Å; L674-M698 HydrophobicContact CD2-CG 4Å; L674-M698 HydrophobicContact CD2-SD 4.33Å; L674-L722 HydrophobicContact CD1-CD2 4.1Å; L674-L725 HydrophobicContact CB-CB 4.02Å; L674-L725 HydrophobicContact CB-CD1 4.18Å; L674-L725 HydrophobicContact CD1-CB 4.09Å; L674-L726 HydrophobicContact CD1-CD2 4.02Å; L674-L726 HydrophobicContact CD1-CG 4.22Å; L674-L726 HydrophobicContact CD2-CD2 4.28Å; L674-I729 HydrophobicContact CB-CD1 3.8Å; L674-I729 HydrophobicContact CD2-CD1 3.34Å; L674-I729 HydrophobicContact CG-CD1 4.09Å
675Q84Confident76.1Confident105 Ų10537.2 Ų37.249%0.49121%0.209SC..Hα-helixtrans-64.2-39.3176.9-176.8174.7-7.600111.9A671 A672 C678 A679 L725A671-Q675 WeakPolarHBondContact O-CB 3.31Å; A671-Q675 PolarHBondContact O-N 2.91Å; A672-Q675 PolarHBondContact O-N 3.25Å; Q675-C678 WeakPolarHBondContact O-CB 3.18Å; Q675-C678 PolarHBondContact O-N 3.31Å; Q675-A679 PolarHBondContact O-N 2.77Å; Q675-L725 HydrophobicContact CB-CD2 4.36Å
676R78.4Confident74.7Confident54 Ų5444.7 Ų44.720%0.20424%0.244CC..Hα-helixtrans-64.1-46.5174.2-17117865157.92.5112.2T604 A672 T673 C678 A679 S680T604-R676 HydrophobicContact CG2-CB 3.84Å; T604-R676 HydrophobicContact CG2-CG 4.09Å; A672-R676 WeakPolarHBondContact O-CB 3.43Å; A672-R676 PolarHBondContact O-N 3Å; T673-R676 PolarHBondContact O-N 3.46Å; R676-C678 VanDerWaalsContact C-N 3.31Å; R676-C678 PolarHBondContact O-N 3Å; R676-A679 WeakPolarHBondContact O-CB 3.26Å; R676-A679 PolarHBondContact O-N 3.49Å; R676-S680 PolarHBondContact O-N 3.31Å
677A77.3Confident73.6Confident7 Ų746.1 Ų46.16%0.05825%0.254CS..Hα-helixtrans-59.8-42.9173.600000111.5T673 L674 A679 S680 L681 L694T673-A677 PolarHBondContact O-N 3.29Å; L674-A677 PolarHBondContact O-N 3.06Å; A677-A679 PolarHBondContact O-N 3.47Å; A677-S680 PolarHBondContact O-N 3.37Å; A677-L681 WeakPolarHBondContact O-CD1 3.24Å; A677-L681 WeakPolarHBondContact O-CG 3.35Å; A677-L681 PolarHBondContact O-N 3.18Å; A677-L681 VanDerWaalsContact O-N 3.11Å; A677-L694 HydrophobicContact CB-CD1 4.2Å; A677-L694 HydrophobicContact CB-CD2 4.08Å
678C75.9Confident72.6Confident5 Ų549.6 Ų49.63%0.03428%0.283CS..Hα-helixtrans-62.1-18.9174-75.30000114.8L674 Q675 R676 K728 I729L674-C678 VanDerWaalsContact O-CB 3.29Å; L674-C678 WeakPolarHBondContact O-CB 3.35Å; L674-C678 PolarHBondContact O-N 3.28Å; L674-C678 PolarHBondContact O-SG 3.07Å; Q675-C678 WeakPolarHBondContact O-CB 3.18Å; Q675-C678 PolarHBondContact O-N 3.31Å; R676-C678 VanDerWaalsContact C-N 3.31Å; R676-C678 PolarHBondContact O-N 3Å; C678-K728 HydrophobicContact CB-CD 3.97Å; C678-K728 PolarHBondContact O-NZ 2.93Å; C678-I729 VanDerWaalsContact SG-CG1 3.55Å
679A73.9Confident71.7Confident21 Ų2151.8 Ų51.817%0.17430%0.299CS..Hα-helixtrans-89.5-52174.900000110.3T608 Q675 R676 A677 L681 A682 H683T608-A679 HydrophobicContact CG2-CB 3.68Å; Q675-A679 PolarHBondContact O-N 2.77Å; R676-A679 WeakPolarHBondContact O-CB 3.26Å; R676-A679 PolarHBondContact O-N 3.49Å; A677-A679 PolarHBondContact O-N 3.47Å; A679-L681 VanDerWaalsContact C-N 3.26Å; A679-L681 PolarHBondContact O-N 2.71Å; A679-A682 VanDerWaalsContact O-CB 3.31Å; A679-A682 WeakPolarHBondContact O-CB 3.34Å; A679-A682 PolarHBondContact O-N 3Å; A679-H683 PolarHBondContact O-CD2 3.27Å; A679-H683 VanDerWaalsContact O-CD2 3.31Å
680S71Confident70.9Confident21 Ų2152.3 Ų52.315%0.14730%0.301CS..Hα-helixtrans-49.5-43.7176171.80000112.9R676 A677 A682 H683 Q684 A685 E690R676-S680 PolarHBondContact O-N 3.31Å; A677-S680 PolarHBondContact O-N 3.37Å; S680-A682 PolarHBondContact O-N 3.1Å; S680-A682 VanDerWaalsContact O-N 3.15Å; S680-H683 WeakPolarHBondContact O-CA 3.43Å; S680-H683 PolarHBondContact O-N 3.34Å; S680-Q684 PolarHBondContact O-N 3.15Å; S680-A685 PolarHBondContact OG-O 2.92Å; S680-E690 VanDerWaalsContact CB-OE2 3.28Å; S680-E690 WeakPolarHBondContact CB-OE2 3.34Å; S680-E690 PolarHBondContact OG-OE2 3.12Å
681L66.1Low70.4Confident45 Ų4553.7 Ų53.724%0.23631%0.311CS..THydrogen-bonded Turntrans-56.6-29.5175.1-70.4163.5000114.7A677 A679 H683 Y733A677-L681 WeakPolarHBondContact O-CD1 3.24Å; A677-L681 WeakPolarHBondContact O-CG 3.35Å; A677-L681 PolarHBondContact O-N 3.18Å; A677-L681 VanDerWaalsContact O-N 3.11Å; A679-L681 VanDerWaalsContact C-N 3.26Å; A679-L681 PolarHBondContact O-N 2.71Å; L681-H683 PolarHBondContact O-N 3.43Å; L681-Y733 HydrophobicContact CD1-CD2 3.59Å; L681-Y733 HydrophobicContact CD1-CE2 4.24Å; L681-Y733 HydrophobicContact CD2-CD2 3.73Å; L681-Y733 HydrophobicContact CD2-CE2 3.98Å; L681-Y733 HydrophobicContact CD2-CG 4.43Å; L681-Y733 HydrophobicContact CG-CD2 4.06Å; L681-Y733 HydrophobicContact CG-CE2 4.31Å
682A60.2Low70Confident75 Ų7559.1 Ų59.162%0.6233%0.334SS*.THydrogen-bonded Turntrans-76.2-13.7177.400000112.9A679 S680A679-A682 VanDerWaalsContact O-CB 3.31Å; A679-A682 WeakPolarHBondContact O-CB 3.34Å; A679-A682 PolarHBondContact O-N 3Å; S680-A682 PolarHBondContact O-N 3.1Å; S680-A682 VanDerWaalsContact O-N 3.15Å
683H58.2Low69.8Low69 Ų6961 Ų6132%0.31935%0.346SS..THydrogen-bonded Turntrans-1154.2-173.4-67.9-82.8000113.9E611 A679 S680 L681 A685E611-H683 IonicContact OE2-CG 3.89Å; E611-H683 IonicContact OE2-ND1 3.42Å; E611-H683 PolarHBondContact OE2-ND1 3.16Å; A679-H683 PolarHBondContact O-CD2 3.27Å; A679-H683 VanDerWaalsContact O-CD2 3.31Å; S680-H683 WeakPolarHBondContact O-CA 3.43Å; S680-H683 PolarHBondContact O-N 3.34Å; L681-H683 PolarHBondContact O-N 3.43Å; H683-A685 PolarHBondContact O-N 3.33Å
684Q55.1Low69.8Low187 Ų18760.9 Ų60.987%0.87434%0.344SS*.THydrogen-bonded Turntrans60.319.5174.6-59.8-172.7-24.600116.4S680 E686S680-Q684 PolarHBondContact O-N 3.15Å; Q684-E686 PolarHBondContact O-N 2.95Å
685A52.9Low69.8Low57 Ų5763.7 Ų63.747%0.47136%0.364SS..  trans-94.180.4178.200000112.1S680 H683 S687S680-A685 PolarHBondContact OG-O 2.92Å; H683-A685 PolarHBondContact O-N 3.33Å; A685-S687 PolarHBondContact O-N 3.4Å
686E52.4Low69.7Low161 Ų16165 Ų6575%0.75237%0.372SS*.  trans-69.1117.7175.2-73.2-174.1175.400111.9Q684 P734Q684-E686 PolarHBondContact O-N 2.95Å; E686-P734 WeakPolarHBondContact OE1-CG 3.5Å
687S60.8Low70Confident49 Ų4962.6 Ų62.634%0.34336%0.363SS..  trans-121135.8167.877.80000111.8A685 V689 E690 S691A685-S687 PolarHBondContact O-N 3.4Å; S687-V689 PolarHBondContact O-N 3.36Å; S687-E690 PolarHBondContact O-N 3.04Å; S687-E690 VanDerWaalsContact O-N 3.13Å; S687-E690 WeakPolarHBondContact OG-CB 3.49Å; S687-E690 VanDerWaalsContact OG-CG 3.28Å; S687-E690 WeakPolarHBondContact OG-CG 3.43Å; S687-E690 PolarHBondContact OG-N 3.12Å; S687-S691 PolarHBondContact O-N 2.94Å
688A62.9Low70.3Confident74 Ų7462.2 Ų62.261%0.61236%0.36SS*.Hα-helixtrans-60.8-28.917900000112.8Q692A688-Q692 WeakPolarHBondContact O-CG 3.42Å; A688-Q692 PolarHBondContact O-N 3.29Å; A688-Q692 VanDerWaalsContact O-N 3.1Å
689V66.5Low70.7Confident100 Ų10062 Ų6261%0.60636%0.359SS*.Hα-helixtrans-67.1-38.3177.5-178.20000111.4S687 T693S687-V689 PolarHBondContact O-N 3.36Å; V689-T693 WeakPolarHBondContact O-CB 3.42Å; V689-T693 PolarHBondContact O-N 3.41Å; V689-T693 PolarHBondContact O-OG1 3.27Å
690E70.8Confident71.1Confident45 Ų4563.7 Ų63.721%0.2137%0.365CS..Hα-helixtrans-68.3-42.7176.7-77.9-178.3154.900112.2S680 S687 Q692 T693 L694S680-E690 VanDerWaalsContact CB-OE2 3.28Å; S680-E690 WeakPolarHBondContact CB-OE2 3.34Å; S680-E690 PolarHBondContact OG-OE2 3.12Å; S687-E690 PolarHBondContact O-N 3.04Å; S687-E690 VanDerWaalsContact O-N 3.13Å; S687-E690 WeakPolarHBondContact OG-CB 3.49Å; S687-E690 VanDerWaalsContact OG-CG 3.28Å; S687-E690 WeakPolarHBondContact OG-CG 3.43Å; S687-E690 PolarHBondContact OG-N 3.12Å; E690-Q692 PolarHBondContact O-N 3.1Å; E690-T693 PolarHBondContact O-N 3.04Å; E690-L694 WeakPolarHBondContact O-CB 3.49Å; E690-L694 PolarHBondContact O-N 3.46Å
691S74.1Confident71.7Confident30 Ų3062.9 Ų62.921%0.2136%0.359CS..Hα-helixtrans-60.4-44175.1179.80000111.8S687 L694 S695 Y733 I738S687-S691 PolarHBondContact O-N 2.94Å; S691-L694 PolarHBondContact O-N 3.28Å; S691-S695 VanDerWaalsContact O-CB 3.3Å; S691-S695 WeakPolarHBondContact O-CB 3.43Å; S691-S695 PolarHBondContact O-N 3.39Å; S691-Y733 WeakPolarHBondContact CA-OH 3.08Å; S691-Y733 WeakPolarHBondContact CB-OH 3.39Å; S691-I738 WeakPolarHBondContact OG-CD1 3.43Å
692Q77.9Confident72.5Confident127 Ų12760.8 Ų60.859%0.59335%0.348SS*.Hα-helixtrans-64.2-43175.1-72179.10.700112.7A688 E690 S695 M696A688-Q692 WeakPolarHBondContact O-CG 3.42Å; A688-Q692 PolarHBondContact O-N 3.29Å; A688-Q692 VanDerWaalsContact O-N 3.1Å; E690-Q692 PolarHBondContact O-N 3.1Å; Q692-S695 PolarHBondContact O-N 3.47Å; Q692-M696 WeakPolarHBondContact O-CB 3.35Å; Q692-M696 PolarHBondContact O-N 2.69Å
693T80Confident73.5Confident43 Ų4358.1 Ų58.126%0.26432%0.324SS..Hα-helixtrans-65.2-40.9177.8-52.60000111.3T673 V689 E690 M696 S697T673-T693 HydrophobicContact CG2-CG2 4.48Å; V689-T693 WeakPolarHBondContact O-CB 3.42Å; V689-T693 PolarHBondContact O-N 3.41Å; V689-T693 PolarHBondContact O-OG1 3.27Å; E690-T693 PolarHBondContact O-N 3.04Å; T693-M696 PolarHBondContact O-N 3.03Å; T693-S697 WeakPolarHBondContact O-CB 3.35Å; T693-S697 PolarHBondContact O-N 3.36Å; T693-S697 PolarHBondContact O-OG 3.2Å
694L83.6Confident74.5Confident3 Ų355.3 Ų55.32%0.01631%0.311CS..Hα-helixtrans-61.6-53.6176.3175.258.4000110.7L674 A677 E690 S691 M696 S697 M698 I729 Y733 I738L674-L694 HydrophobicContact CD2-CD1 3.46Å; L674-L694 VanDerWaalsContact CD2-CD1 3.46Å; A677-L694 HydrophobicContact CB-CD1 4.2Å; A677-L694 HydrophobicContact CB-CD2 4.08Å; E690-L694 WeakPolarHBondContact O-CB 3.49Å; E690-L694 PolarHBondContact O-N 3.46Å; S691-L694 PolarHBondContact O-N 3.28Å; L694-M696 VanDerWaalsContact C-N 3.32Å; L694-M696 PolarHBondContact O-N 2.68Å; L694-S697 PolarHBondContact O-N 3.42Å; L694-S697 VanDerWaalsContact O-N 3.11Å; L694-S697 PolarHBondContact O-OG 3.39Å; L694-M698 HydrophobicContact CD1-CG 4.21Å; L694-M698 HydrophobicContact CD1-SD 3.71Å; L694-M698 HydrophobicContact CG-SD 3.92Å; L694-M698 WeakPolarHBondContact O-CG 3.49Å; L694-M698 PolarHBondContact O-N 3.35Å; L694-I729 HydrophobicContact CD1-CD1 4.11Å; L694-Y733 HydrophobicContact CD2-CD1 4.49Å; L694-Y733 HydrophobicContact CD2-CD2 3.66Å; L694-Y733 HydrophobicContact CD2-CE1 4.19Å; L694-Y733 HydrophobicContact CD2-CE2 3.3Å; L694-Y733 HydrophobicContact CD2-CG 4.27Å; L694-I738 HydrophobicContact CD2-CD1 4.35Å; L694-I738 HydrophobicContact CD2-CG2 3.72Å; L694-I738 HydrophobicContact CG-CG2 4.2Å
695S83.4Confident75.6Confident59 Ų5947.7 Ų47.741%0.41328%0.276SS..Hα-helixtrans-54.3-45.8176.2-1790000112S691 Q692 M698 G699S691-S695 VanDerWaalsContact O-CB 3.3Å; S691-S695 WeakPolarHBondContact O-CB 3.43Å; S691-S695 PolarHBondContact O-N 3.39Å; Q692-S695 PolarHBondContact O-N 3.47Å; S695-M698 PolarHBondContact O-N 2.81Å; S695-G699 PolarHBondContact O-N 3.32Å
696M83.1Confident76.5Confident133 Ų13347.4 Ų47.466%0.65528%0.279SS*.Hα-helixtrans-65.8-38.8177.3-170.8170.7178.900112.7Q692 T693 L694 G699 L700Q692-M696 WeakPolarHBondContact O-CB 3.35Å; Q692-M696 PolarHBondContact O-N 2.69Å; T693-M696 PolarHBondContact O-N 3.03Å; L694-M696 VanDerWaalsContact C-N 3.32Å; L694-M696 PolarHBondContact O-N 2.68Å; M696-G699 PolarHBondContact O-N 2.74Å; M696-L700 PolarHBondContact O-N 2.97Å
697S83.9Confident77.1Confident3 Ų342.7 Ų42.72%0.02127%0.273CS..Hα-helixtrans-68.3-34.7176.171.90000112.9V670 T673 T693 L694 L700 V701V670-S697 WeakPolarHBondContact CG2-O 3.28Å; T673-S697 VanDerWaalsContact OG1-CB 3.23Å; T673-S697 WeakPolarHBondContact OG1-CB 3.45Å; T673-S697 PolarHBondContact OG1-OG 2.89Å; T673-S697 VanDerWaalsContact OG1-OG 3.12Å; T693-S697 WeakPolarHBondContact O-CB 3.35Å; T693-S697 PolarHBondContact O-N 3.36Å; T693-S697 PolarHBondContact O-OG 3.2Å; L694-S697 PolarHBondContact O-N 3.42Å; L694-S697 VanDerWaalsContact O-N 3.11Å; L694-S697 PolarHBondContact O-OG 3.39Å; S697-L700 WeakPolarHBondContact O-CB 3.44Å; S697-L700 PolarHBondContact O-N 3.16Å; S697-V701 PolarHBondContact O-N 3.26Å
698M84.4Confident77.3Confident0 Ų043.4 Ų43.40%028%0.283CS..Hα-helixtrans-73.5-38.2173.3-69.3172.662.700111.8L674 L694 S695 L700 V701 A702 I738 L741 A742 L745L674-M698 HydrophobicContact CD2-CG 4Å; L674-M698 HydrophobicContact CD2-SD 4.33Å; L694-M698 HydrophobicContact CD1-CG 4.21Å; L694-M698 HydrophobicContact CD1-SD 3.71Å; L694-M698 HydrophobicContact CG-SD 3.92Å; L694-M698 WeakPolarHBondContact O-CG 3.49Å; L694-M698 PolarHBondContact O-N 3.35Å; S695-M698 PolarHBondContact O-N 2.81Å; M698-L700 VanDerWaalsContact C-N 3.29Å; M698-L700 PolarHBondContact O-N 3Å; M698-V701 PolarHBondContact O-N 3.27Å; M698-A702 PolarHBondContact O-N 3.42Å; M698-I738 HydrophobicContact CE-CG2 4.36Å; M698-I738 HydrophobicContact SD-CG2 3.98Å; M698-L741 HydrophobicContact CB-CD2 3.98Å; M698-L741 HydrophobicContact CE-CB 3.9Å; M698-L741 HydrophobicContact CE-CD2 4.09Å; M698-L741 HydrophobicContact CE-CG 3.87Å; M698-A742 HydrophobicContact CE-CB 3.68Å; M698-A742 VanDerWaalsContact CE-N 3.33Å; M698-L745 HydrophobicContact CB-CD1 3.87Å; M698-L745 HydrophobicContact CE-CD1 4.13Å; M698-L745 HydrophobicContact CG-CD1 4.34Å
699G82.7Confident77.6Confident1 Ų142.8 Ų42.81%0.0127%0.271CS..Hα-helixtrans-58.6-38.1170.700000112.5S695 M696 V701 A702 V703S695-G699 PolarHBondContact O-N 3.32Å; M696-G699 PolarHBondContact O-N 2.74Å; G699-V701 PolarHBondContact O-N 3.41Å; G699-A702 CarbonylContact O-C 3.58Å; G699-A702 WeakPolarHBondContact O-CB 3.44Å; G699-A702 PolarHBondContact O-N 2.96Å; G699-A702 VanDerWaalsContact O-N 3.15Å; G699-V703 WeakPolarHBondContact O-CG2 3.47Å; G699-V703 PolarHBondContact O-N 3.14Å
700L82.9Confident77.9Confident56 Ų5646.9 Ų46.929%0.29328%0.284SS..Hα-helixtrans-61.8-42.1174.3-16961000112.2V666 F669 V670 M696 S697 M698 V703 M704V666-L700 HydrophobicContact CG1-CD2 3.6Å; V666-L700 HydrophobicContact CG1-CG 3.9Å; F669-L700 HydrophobicContact CD1-CD2 4.34Å; F669-L700 HydrophobicContact CE1-CD2 4.37Å; V670-L700 HydrophobicContact CG2-CD2 4.48Å; M696-L700 PolarHBondContact O-N 2.97Å; S697-L700 WeakPolarHBondContact O-CB 3.44Å; S697-L700 PolarHBondContact O-N 3.16Å; M698-L700 VanDerWaalsContact C-N 3.29Å; M698-L700 PolarHBondContact O-N 3Å; L700-V703 PolarHBondContact O-N 3.25Å; L700-M704 WeakPolarHBondContact O-CG 3.44Å; L700-M704 PolarHBondContact O-N 2.93Å; L700-M704 VanDerWaalsContact O-N 3.11Å
701V84.1Confident78.2Confident4 Ų446.6 Ų46.62%0.02428%0.283CS..Hα-helixtrans-67.1-38.2172.8-175.30000111.3V670 S697 M698 G699 V703 M704 L705 L719 L722 L745 I749V670-V701 HydrophobicContact CB-CG2 4.23Å; V670-V701 HydrophobicContact CG1-CG2 3.75Å; V670-V701 HydrophobicContact CG2-CG2 3.91Å; S697-V701 PolarHBondContact O-N 3.26Å; M698-V701 PolarHBondContact O-N 3.27Å; G699-V701 PolarHBondContact O-N 3.41Å; V701-V703 VanDerWaalsContact C-N 3.34Å; V701-V703 PolarHBondContact O-N 3.33Å; V701-M704 PolarHBondContact O-N 2.85Å; V701-L705 HydrophobicContact CG1-CD1 3.81Å; V701-L705 HydrophobicContact CG1-CG 4.29Å; V701-L705 WeakPolarHBondContact O-CG 3.44Å; V701-L705 PolarHBondContact O-N 3.25Å; V701-L719 HydrophobicContact CG1-CD2 4.29Å; V701-L722 HydrophobicContact CG1-CD1 4.41Å; V701-L722 HydrophobicContact CG2-CD1 3.94Å; V701-L745 HydrophobicContact CB-CD2 4.41Å; V701-L745 HydrophobicContact CG1-CD2 4.15Å; V701-I749 HydrophobicContact CG1-CD1 4.22Å
702A82.3Confident78.5Confident0 Ų051.9 Ų51.90%030%0.302CS..Hα-helixtrans-60.9-41.1174.600000112M698 G699 L705 G706 L745 I760 A763 A764M698-A702 PolarHBondContact O-N 3.42Å; G699-A702 CarbonylContact O-C 3.58Å; G699-A702 WeakPolarHBondContact O-CB 3.44Å; G699-A702 PolarHBondContact O-N 2.96Å; G699-A702 VanDerWaalsContact O-N 3.15Å; A702-L705 PolarHBondContact O-N 3.35Å; A702-G706 WeakPolarHBondContact O-CA 3.25Å; A702-G706 PolarHBondContact O-N 3.38Å; A702-L745 HydrophobicContact CB-CD2 4.04Å; A702-I760 HydrophobicContact CB-CG2 3.94Å; A702-A763 HydrophobicContact CB-CB 3.99Å; A702-A764 HydrophobicContact CB-CB 4.46Å
703V81.8Confident78.3Confident19 Ų1950.5 Ų50.512%0.11531%0.307CS..Hα-helixtrans-62.9-42.71741710000111.6G699 L700 V701 G706 A708 A764 T767 L768G699-V703 WeakPolarHBondContact O-CG2 3.47Å; G699-V703 PolarHBondContact O-N 3.14Å; L700-V703 PolarHBondContact O-N 3.25Å; V701-V703 VanDerWaalsContact C-N 3.34Å; V701-V703 PolarHBondContact O-N 3.33Å; V703-G706 PolarHBondContact O-N 3.12Å; V703-A708 HydrophobicContact CG1-CB 3.59Å; V703-A708 WeakPolarHBondContact O-CB 3.46Å; V703-A708 PolarHBondContact O-N 2.97Å; V703-A764 HydrophobicContact CG2-CB 3.98Å; V703-T767 HydrophobicContact CG2-CG2 4.11Å; V703-L768 HydrophobicContact CG1-CD2 4.38Å; V703-L768 HydrophobicContact CG2-CD1 4.49Å; V703-L768 HydrophobicContact CG2-CG 4.17Å
704M79.1Confident78.1Confident11 Ų1151.5 Ų51.55%0.05432%0.315CS..Iπ-helixtrans-64.5-41.7177.5-66.9173.483.300112.5I663 V666 L700 V701 L711I663-M704 HydrophobicContact CB-CE 4.16Å; I663-M704 HydrophobicContact CG1-CE 3.92Å; I663-M704 HydrophobicContact CG2-CE 3.73Å; V666-M704 HydrophobicContact CB-CE 4.25Å; V666-M704 HydrophobicContact CB-SD 4.19Å; V666-M704 HydrophobicContact CG1-CE 4.18Å; V666-M704 HydrophobicContact CG1-SD 3.48Å; V666-M704 WeakPolarHBondContact CG1-SD 3.4Å; L700-M704 WeakPolarHBondContact O-CG 3.44Å; L700-M704 PolarHBondContact O-N 2.93Å; L700-M704 VanDerWaalsContact O-N 3.11Å; V701-M704 PolarHBondContact O-N 2.85Å; M704-L711 WeakPolarHBondContact O-CD1 3.3Å
705L77.8Confident78Confident26 Ų2652.6 Ų52.614%0.13632%0.321CS..Iπ-helixtrans-77.4-27.8178-65.5170.7000112.7V701 A702 G707 L711 F716 L719 L745 T748 I749V701-L705 HydrophobicContact CG1-CD1 3.81Å; V701-L705 HydrophobicContact CG1-CG 4.29Å; V701-L705 WeakPolarHBondContact O-CG 3.44Å; V701-L705 PolarHBondContact O-N 3.25Å; A702-L705 PolarHBondContact O-N 3.35Å; L705-G707 PolarHBondContact O-N 3.23Å; L705-L711 HydrophobicContact CD2-CD1 3.9Å; L705-F716 HydrophobicContact CD2-CE1 3.9Å; L705-F716 HydrophobicContact CD2-CZ 4.43Å; L705-L719 HydrophobicContact CD2-CD1 4.23Å; L705-L745 HydrophobicContact CD1-CD2 3.8Å; L705-T748 HydrophobicContact CB-CG2 4.19Å; L705-T748 HydrophobicContact CD1-CG2 4Å; L705-T748 HydrophobicContact CD2-CG2 4.34Å; L705-T748 HydrophobicContact CG-CG2 4.41Å; L705-I749 HydrophobicContact CD1-CD1 4.4Å; L705-I749 HydrophobicContact CD1-CG1 3.81Å; L705-I749 HydrophobicContact CD2-CG1 4.29Å
706G71.6Confident77.9Confident52 Ų5250.8 Ų50.854%0.53631%0.306SS..Iπ-helixtrans-75.78.6179.600000115.3A702 V703A702-G706 WeakPolarHBondContact O-CA 3.25Å; A702-G706 PolarHBondContact O-N 3.38Å; V703-G706 PolarHBondContact O-N 3.12Å
707G66.1Low77.8Confident61 Ų6147.3 Ų47.363%0.62930%0.299SS*.Iπ-helixtrans93.25.5171.300000116.2L705 V709L705-G707 PolarHBondContact O-N 3.23Å; G707-V709 PolarHBondContact O-N 2.84Å
708A64.1Low77.7Confident65 Ų6548.5 Ų48.554%0.53731%0.306SS..Iπ-helixtrans-70.1-19173.700000113.1V703V703-A708 HydrophobicContact CG1-CB 3.59Å; V703-A708 WeakPolarHBondContact O-CB 3.46Å; V703-A708 PolarHBondContact O-N 2.97Å
709V70.1Confident77.7Confident61 Ų6148.5 Ų48.537%0.3731%0.306SS..SBendtrans-129.9135.5177.7-177.70000109.4I663 G707 L711I663-V709 HydrophobicContact CD1-CG1 4.1Å; I663-V709 HydrophobicContact CG1-CG1 4.5Å; G707-V709 PolarHBondContact O-N 2.84Å; V709-L711 HydrophobicContact CG1-CD2 4.38Å; V709-L711 PolarHBondContact O-N 3.42Å; V709-L711 VanDerWaalsContact O-N 3.11Å
710Q71.8Confident77.8Confident186 Ų18652.4 Ų52.487%0.86932%0.322SS*.  trans-77.994.1175.3-69.3-173.33.700111
711L77.8Confident77.9Confident38 Ų3854.7 Ų54.720%0.19933%0.331CS..  trans-75.7133.5178.2-61.2176.2000112.2I663 M704 L705 V709 D715 F716 L719I663-L711 HydrophobicContact CD1-CD2 3.96Å; M704-L711 WeakPolarHBondContact O-CD1 3.3Å; L705-L711 HydrophobicContact CD2-CD1 3.9Å; V709-L711 HydrophobicContact CG1-CD2 4.38Å; V709-L711 PolarHBondContact O-N 3.42Å; V709-L711 VanDerWaalsContact O-N 3.11Å; L711-D715 HydrophobicContact CD2-CB 4.28Å; L711-F716 HydrophobicContact CB-CD2 4.41Å; L711-F716 HydrophobicContact CB-CE2 3.78Å; L711-F716 HydrophobicContact CB-CZ 4.23Å; L711-F716 HydrophobicContact CD1-CE1 4.37Å; L711-F716 HydrophobicContact CD1-CE2 4.27Å; L711-F716 HydrophobicContact CD1-CZ 3.9Å; L711-L719 HydrophobicContact CD1-CD1 4.01Å
712K79.6Confident77.9Confident142 Ų14254.5 Ų54.562%0.61733%0.331SS*.  trans-95.8164.9172.4-62.6170.1-174.6167.40110.9S714 D715 F716K712-S714 WeakPolarHBondContact CB-OG 3.33Å; K712-S714 PolarHBondContact O-N 3.33Å; K712-D715 WeakPolarHBondContact CB-OD2 3.32Å; K712-D715 PolarHBondContact N-OD2 3.38Å; K712-D715 WeakPolarHBondContact O-CB 3.24Å; K712-D715 PolarHBondContact O-N 3.02Å; K712-F716 WeakPolarHBondContact O-CD2 3.41Å; K712-F716 PolarHBondContact O-N 3.11Å
713S73.5Confident78.1Confident98 Ų9856.1 Ų56.169%0.68534%0.339SS*.Hα-helixtrans-60.1-25.517654.90000114D715S713-D715 VanDerWaalsContact C-N 3.32Å
714S76.8Confident78.3Confident63 Ų6359.2 Ų59.244%0.44136%0.359SS..Hα-helixtrans-63.6-36.516947.60000112.8K712 A717K712-S714 WeakPolarHBondContact CB-OG 3.33Å; K712-S714 PolarHBondContact O-N 3.33Å; S714-A717 VanDerWaalsContact O-CB 3.26Å; S714-A717 WeakPolarHBondContact O-CB 3.41Å; S714-A717 PolarHBondContact O-N 3.13Å; S714-A717 VanDerWaalsContact O-N 3.1Å
715D81.7Confident78.5Confident27 Ų2760.2 Ų60.214%0.14437%0.365CS..Hα-helixtrans-80.9-32.9-168-48.5-18.5000109.6I663 L711 K712 S713 A717 V718 L719I663-D715 HydrophobicContact CD1-CB 4.32Å; I663-D715 HydrophobicContact CG2-CB 4.22Å; L711-D715 HydrophobicContact CD2-CB 4.28Å; K712-D715 WeakPolarHBondContact CB-OD2 3.32Å; K712-D715 PolarHBondContact N-OD2 3.38Å; K712-D715 WeakPolarHBondContact O-CB 3.24Å; K712-D715 PolarHBondContact O-N 3.02Å; S713-D715 VanDerWaalsContact C-N 3.32Å; D715-A717 PolarHBondContact O-N 2.89Å; D715-V718 WeakPolarHBondContact O-CB 3.32Å; D715-V718 PolarHBondContact O-N 3.3Å; D715-L719 PolarHBondContact O-N 3.28Å
716F81Confident78.9Confident20 Ų2059.2 Ų59.29%0.08836%0.359CS..Hα-helixtrans-62.2-25.1165.5-74.5-78.8000113.7L705 L711 K712 V718 L719 K720 H752L705-F716 HydrophobicContact CD2-CE1 3.9Å; L705-F716 HydrophobicContact CD2-CZ 4.43Å; L711-F716 HydrophobicContact CB-CD2 4.41Å; L711-F716 HydrophobicContact CB-CE2 3.78Å; L711-F716 HydrophobicContact CB-CZ 4.23Å; L711-F716 HydrophobicContact CD1-CE1 4.37Å; L711-F716 HydrophobicContact CD1-CE2 4.27Å; L711-F716 HydrophobicContact CD1-CZ 3.9Å; K712-F716 WeakPolarHBondContact O-CD2 3.41Å; K712-F716 PolarHBondContact O-N 3.11Å; F716-V718 VanDerWaalsContact C-N 3.3Å; F716-L719 HydrophobicContact CD1-CD1 4.13Å; F716-L719 HydrophobicContact CE1-CD1 4.4Å; F716-K720 VanDerWaalsContact O-CG 3.27Å; F716-K720 WeakPolarHBondContact O-CG 3.48Å; F716-K720 PolarHBondContact O-N 2.88Å; F716-H752 VanDerWaalsContact CB-ND1 3.25Å; F716-H752 WeakPolarHBondContact CB-ND1 3.26Å; F716-H752 HydrophobicContact CD1-CB 4.32Å; F716-H752 AromaticContact CD2-ND1 3.92Å; F716-H752 HydrophobicContact CE1-CB 4.43Å; F716-H752 HydrophobicContact CG-CB 4.39Å; F716-H752 AromaticContact CG-ND1 3.46Å; F716-H752 WeakPolarHBondContact CG-ND1 3.32Å
717A81Confident79.6Confident61 Ų6160.5 Ų60.550%0.50435%0.352SS..Hα-helixtrans-71.1-29.1172.500000112S714 D715S714-A717 VanDerWaalsContact O-CB 3.26Å; S714-A717 WeakPolarHBondContact O-CB 3.41Å; S714-A717 PolarHBondContact O-N 3.13Å; S714-A717 VanDerWaalsContact O-N 3.1Å; D715-A717 PolarHBondContact O-N 2.89Å
718V82Confident80.3Confident28 Ų2862.3 Ų62.317%0.1734%0.342CS..Hα-helixtrans-76.8-48.3173.4-170.70000110.3T664 V667 D715 F716 K720 Q721T664-V718 HydrophobicContact CG2-CG1 4.08Å; T664-V718 HydrophobicContact CG2-CG2 4.04Å; V667-V718 HydrophobicContact CB-CG1 3.99Å; V667-V718 HydrophobicContact CG1-CG1 3.94Å; V667-V718 HydrophobicContact CG2-CG1 4.3Å; D715-V718 WeakPolarHBondContact O-CB 3.32Å; D715-V718 PolarHBondContact O-N 3.3Å; F716-V718 VanDerWaalsContact C-N 3.3Å; V718-K720 PolarHBondContact O-N 2.73Å; V718-K720 VanDerWaalsContact O-N 3.09Å; V718-Q721 VanDerWaalsContact O-CB 3.28Å; V718-Q721 WeakPolarHBondContact O-CB 3.07Å; V718-Q721 VanDerWaalsContact O-CG 3.28Å; V718-Q721 WeakPolarHBondContact O-CG 3.36Å; V718-Q721 PolarHBondContact O-N 2.98Å
719L83.6Confident81.3Confident0 Ų059.2 Ų59.20%032%0.317CS..Hα-helixtrans-56.2-28.1177.5-75.2161.7000113.6V667 V701 L705 L711 D715 F716 Q721 L722 I749V667-L719 HydrophobicContact CG2-CD2 3.64Å; V667-L719 HydrophobicContact CG2-CG 4.08Å; V701-L719 HydrophobicContact CG1-CD2 4.29Å; L705-L719 HydrophobicContact CD2-CD1 4.23Å; L711-L719 HydrophobicContact CD1-CD1 4.01Å; D715-L719 PolarHBondContact O-N 3.28Å; F716-L719 HydrophobicContact CD1-CD1 4.13Å; F716-L719 HydrophobicContact CE1-CD1 4.4Å; L719-Q721 PolarHBondContact O-N 3.47Å; L719-Q721 VanDerWaalsContact O-N 3.12Å; L719-L722 HydrophobicContact CD2-CD1 4.1Å; L719-L722 WeakPolarHBondContact O-CB 3.47Å; L719-L722 PolarHBondContact O-N 3.01Å; L719-I749 HydrophobicContact CB-CD1 4.48Å; L719-I749 HydrophobicContact CB-CG1 4.4Å; L719-I749 HydrophobicContact CB-CG2 3.97Å
720K84.5Confident82Confident82 Ų8256.8 Ų56.836%0.35730%0.302SS..G310 helixtrans-58.9-20.5174.3-81.3171.7-175.1-172.30114.3F716 V718 L722 L723 I749 H752F716-K720 VanDerWaalsContact O-CG 3.27Å; F716-K720 WeakPolarHBondContact O-CG 3.48Å; F716-K720 PolarHBondContact O-N 2.88Å; V718-K720 PolarHBondContact O-N 2.73Å; V718-K720 VanDerWaalsContact O-N 3.09Å; K720-L722 PolarHBondContact O-N 3.36Å; K720-L723 HydrophobicContact CB-CD1 4.17Å; K720-L723 HydrophobicContact CG-CD1 3.86Å; K720-L723 WeakPolarHBondContact O-CB 3.37Å; K720-L723 PolarHBondContact O-N 2.86Å; K720-I749 HydrophobicContact CG-CG2 4.41Å; K720-H752 PolarHBondContact NZ-NE2 3.36Å; K720-H752 VanDerWaalsContact NZ-NE2 3.13Å
721Q85.1Confident82.5Confident104 Ų10453.2 Ų53.249%0.48629%0.289SS..G310 helixtrans-65-24.1173.6-63175.70.700112.7V718 L719 P724V718-Q721 VanDerWaalsContact O-CB 3.28Å; V718-Q721 WeakPolarHBondContact O-CB 3.07Å; V718-Q721 VanDerWaalsContact O-CG 3.28Å; V718-Q721 WeakPolarHBondContact O-CG 3.36Å; V718-Q721 PolarHBondContact O-N 2.98Å; L719-Q721 PolarHBondContact O-N 3.47Å; L719-Q721 VanDerWaalsContact O-N 3.12Å; Q721-P724 WeakPolarHBondContact O-CD 3.39Å
722L85.4Confident82.4Confident1 Ų155.1 Ų55.11%0.00530%0.302CS..G310 helixtrans-78.9-23178.8-56.2-179.4000113.2V667 V670 A671 L674 V701 L719 K720 L725 L726V667-L722 HydrophobicContact CG1-CD1 4.14Å; V667-L722 HydrophobicContact CG1-CD2 3.92Å; V667-L722 HydrophobicContact CG1-CG 3.86Å; V670-L722 HydrophobicContact CB-CD2 4.38Å; V670-L722 HydrophobicContact CG1-CD1 4.19Å; V670-L722 HydrophobicContact CG1-CD2 4.17Å; A671-L722 HydrophobicContact CB-CD2 3.79Å; L674-L722 HydrophobicContact CD1-CD2 4.1Å; V701-L722 HydrophobicContact CG1-CD1 4.41Å; V701-L722 HydrophobicContact CG2-CD1 3.94Å; L719-L722 HydrophobicContact CD2-CD1 4.1Å; L719-L722 WeakPolarHBondContact O-CB 3.47Å; L719-L722 PolarHBondContact O-N 3.01Å; K720-L722 PolarHBondContact O-N 3.36Å; L722-L725 PolarHBondContact O-N 2.95Å; L722-L725 VanDerWaalsContact O-N 3.08Å; L722-L726 HydrophobicContact CB-CD1 4.04Å; L722-L726 HydrophobicContact CB-CG 4.39Å; L722-L726 WeakPolarHBondContact O-CG 3.2Å; L722-L726 PolarHBondContact O-N 3.15Å
723L86.4Confident82.4Confident34 Ų3449.3 Ų49.318%0.17828%0.277CS..Hα-helixtrans-52-50-175.4-67174.4000114.7K720 L725 L726 E727 R746 I749 S750K720-L723 HydrophobicContact CB-CD1 4.17Å; K720-L723 HydrophobicContact CG-CD1 3.86Å; K720-L723 WeakPolarHBondContact O-CB 3.37Å; K720-L723 PolarHBondContact O-N 2.86Å; L723-L725 VanDerWaalsContact C-N 3.29Å; L723-L725 PolarHBondContact O-N 3.33Å; L723-L726 PolarHBondContact O-N 3.14Å; L723-E727 WeakPolarHBondContact O-CB 3.49Å; L723-E727 PolarHBondContact O-N 2.69Å; L723-R746 HydrophobicContact CD2-CB 4.33Å; L723-R746 HydrophobicContact CD2-CG 3.85Å; L723-R746 WeakPolarHBondContact CD2-O 3.5Å; L723-I749 HydrophobicContact CD1-CG2 4.39Å; L723-I749 HydrophobicContact CD2-CB 4Å; L723-I749 HydrophobicContact CD2-CG2 3.84Å; L723-I749 HydrophobicContact CG-CG2 4.08Å; L723-S750 WeakPolarHBondContact CD2-OG 3.41Å
724P85.8Confident82.6Confident83 Ų8348 Ų4854%0.53927%0.266SS..Hα-helixtrans-67.5-27.317926.6-35.9000113.5Q721 K728Q721-P724 WeakPolarHBondContact O-CD 3.39Å; P724-K728 PolarHBondContact O-N 3.38Å; P724-K728 VanDerWaalsContact O-N 3.17Å
725L83.9Confident82.7Confident33 Ų3347.5 Ų47.517%0.17326%0.258CS..Hα-helixtrans-76.7-43.4177.1-62.9173.9000111A671 L674 Q675 L722 L723 E727 K728 I729A671-L725 HydrophobicContact CB-CD1 4.05Å; A671-L725 WeakPolarHBondContact O-CD1 3.44Å; L674-L725 HydrophobicContact CB-CB 4.02Å; L674-L725 HydrophobicContact CB-CD1 4.18Å; L674-L725 HydrophobicContact CD1-CB 4.09Å; Q675-L725 HydrophobicContact CB-CD2 4.36Å; L722-L725 PolarHBondContact O-N 2.95Å; L722-L725 VanDerWaalsContact O-N 3.08Å; L723-L725 VanDerWaalsContact C-N 3.29Å; L723-L725 PolarHBondContact O-N 3.33Å; L725-E727 VanDerWaalsContact C-N 3.33Å; L725-E727 PolarHBondContact O-N 3.47Å; L725-K728 PolarHBondContact O-N 2.8Å; L725-I729 WeakPolarHBondContact O-CG1 3.38Å; L725-I729 PolarHBondContact O-N 3.41Å
726L85.8Confident82.7Confident4 Ų450.3 Ų50.32%0.02128%0.278CS..Hα-helixtrans-62.2-39.1173.9-68.5170.7000111.7L674 L722 L723 I729 S730 A742 L745 R746 I749L674-L726 HydrophobicContact CD1-CD2 4.02Å; L674-L726 HydrophobicContact CD1-CG 4.22Å; L674-L726 HydrophobicContact CD2-CD2 4.28Å; L722-L726 HydrophobicContact CB-CD1 4.04Å; L722-L726 HydrophobicContact CB-CG 4.39Å; L722-L726 WeakPolarHBondContact O-CG 3.2Å; L722-L726 PolarHBondContact O-N 3.15Å; L723-L726 PolarHBondContact O-N 3.14Å; L726-I729 PolarHBondContact O-N 3.37Å; L726-S730 WeakPolarHBondContact O-CB 3.45Å; L726-S730 PolarHBondContact O-N 3.03Å; L726-S730 PolarHBondContact O-OG 3.38Å; L726-A742 HydrophobicContact CD2-CB 4.31Å; L726-L745 HydrophobicContact CD1-CB 4.2Å; L726-R746 HydrophobicContact CB-CB 4.34Å; L726-I749 HydrophobicContact CD1-CD1 3.98Å
727E85.5Confident82.7Confident80 Ų8054.2 Ų54.237%0.37430%0.303SS..Hα-helixtrans-65.8-35.1173.5174.2156.8-127.900113.1L723 L725 S730 N731 R746L723-E727 WeakPolarHBondContact O-CB 3.49Å; L723-E727 PolarHBondContact O-N 2.69Å; L725-E727 VanDerWaalsContact C-N 3.33Å; L725-E727 PolarHBondContact O-N 3.47Å; E727-S730 PolarHBondContact O-OG 3.49Å; E727-S730 VanDerWaalsContact O-OG 3.07Å; E727-N731 PolarHBondContact O-ND2 2.81Å; E727-N731 VanDerWaalsContact O-ND2 3.11Å; E727-R746 VanDerWaalsContact CD-CZ 3.44Å; E727-R746 IonicContact OE1-CZ 3.89Å; E727-R746 IonicContact OE1-NH1 3.12Å; E727-R746 PolarHBondContact OE1-NH1 2.98Å; E727-R746 IonicContact OE1-NH2 2.7Å; E727-R746 PolarHBondContact OE1-NH2 3.09Å; E727-R746 IonicContact OE2-CZ 3.85Å; E727-R746 IonicContact OE2-NH1 3.84Å; E727-R746 IonicContact OE2-NH2 2.67Å; E727-R746 PolarHBondContact OE2-NH2 2.9Å
728K82.1Confident82.8Confident99 Ų9951.6 Ų51.643%0.4328%0.281SS..Hα-helixtrans-67.8-40.4172.9-167.8178.6178.7-160.80111.1C678 P724 L725 N731 T732C678-K728 HydrophobicContact CB-CD 3.97Å; C678-K728 PolarHBondContact O-NZ 2.93Å; P724-K728 PolarHBondContact O-N 3.38Å; P724-K728 VanDerWaalsContact O-N 3.17Å; L725-K728 PolarHBondContact O-N 2.8Å; K728-N731 PolarHBondContact O-N 2.82Å; K728-T732 VanDerWaalsContact O-CB 3.29Å; K728-T732 WeakPolarHBondContact O-CB 2.94Å; K728-T732 PolarHBondContact O-N 3.12Å; K728-T732 PolarHBondContact O-OG1 2.99Å
729I84.1Confident82.8Confident0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-69.9-44.8-179.6-71.5162.8000111.5L674 C678 L694 L725 L726 N731 T732 Y733 I738 A742L674-I729 HydrophobicContact CB-CD1 3.8Å; L674-I729 HydrophobicContact CD2-CD1 3.34Å; L674-I729 HydrophobicContact CG-CD1 4.09Å; C678-I729 VanDerWaalsContact SG-CG1 3.55Å; L694-I729 HydrophobicContact CD1-CD1 4.11Å; L725-I729 WeakPolarHBondContact O-CG1 3.38Å; L725-I729 PolarHBondContact O-N 3.41Å; L726-I729 PolarHBondContact O-N 3.37Å; I729-N731 PolarHBondContact O-N 3.21Å; I729-N731 VanDerWaalsContact O-N 3.08Å; I729-T732 PolarHBondContact O-N 2.71Å; I729-Y733 HydrophobicContact CG2-CD2 4.5Å; I729-Y733 HydrophobicContact CG2-CG 4.4Å; I729-Y733 WeakPolarHBondContact O-CB 3.18Å; I729-Y733 PolarHBondContact O-N 3.06Å; I729-I738 HydrophobicContact CG2-CG2 4.04Å; I729-A742 HydrophobicContact CG2-CB 4.12Å
730S84.6Confident82.8Confident10 Ų1059.4 Ų59.47%0.0732%0.315CS..Hα-helixtrans-57.3-27.8178.565.30000113.5L726 E727L726-S730 WeakPolarHBondContact O-CB 3.45Å; L726-S730 PolarHBondContact O-N 3.03Å; L726-S730 PolarHBondContact O-OG 3.38Å; E727-S730 PolarHBondContact O-OG 3.49Å; E727-S730 VanDerWaalsContact O-OG 3.07Å
731N81.4Confident82.8Confident111 Ų11156.4 Ų56.459%0.59430%0.303SS*.Hα-helixtrans-100.1-10.2-174.4-60.9-10.5000113.7E727 K728 I729E727-N731 PolarHBondContact O-ND2 2.81Å; E727-N731 VanDerWaalsContact O-ND2 3.11Å; K728-N731 PolarHBondContact O-N 2.82Å; I729-N731 PolarHBondContact O-N 3.21Å; I729-N731 VanDerWaalsContact O-N 3.08Å
732T76.9Confident82.8Confident77 Ų7751.5 Ų51.547%0.47228%0.28SS..Hα-helixtrans-136.6-16.6-166.3-45.70000114.4K728 I729K728-T732 VanDerWaalsContact O-CB 3.29Å; K728-T732 WeakPolarHBondContact O-CB 2.94Å; K728-T732 PolarHBondContact O-N 3.12Å; K728-T732 PolarHBondContact O-OG1 2.99Å; I729-T732 PolarHBondContact O-N 2.71Å
733Y79.5Confident82.8Confident21 Ų2154.2 Ų54.28%0.08230%0.297CS..  trans-77.1140.2-178.4-154.5-92.9000112.2L681 S691 L694 I729 D735 I738 Q739L681-Y733 HydrophobicContact CD1-CD2 3.59Å; L681-Y733 HydrophobicContact CD1-CE2 4.24Å; L681-Y733 HydrophobicContact CD2-CD2 3.73Å; L681-Y733 HydrophobicContact CD2-CE2 3.98Å; L681-Y733 HydrophobicContact CD2-CG 4.43Å; L681-Y733 HydrophobicContact CG-CD2 4.06Å; L681-Y733 HydrophobicContact CG-CE2 4.31Å; S691-Y733 WeakPolarHBondContact CA-OH 3.08Å; S691-Y733 WeakPolarHBondContact CB-OH 3.39Å; L694-Y733 HydrophobicContact CD2-CD1 4.49Å; L694-Y733 HydrophobicContact CD2-CD2 3.66Å; L694-Y733 HydrophobicContact CD2-CE1 4.19Å; L694-Y733 HydrophobicContact CD2-CE2 3.3Å; L694-Y733 HydrophobicContact CD2-CG 4.27Å; I729-Y733 HydrophobicContact CG2-CD2 4.5Å; I729-Y733 HydrophobicContact CG2-CG 4.4Å; I729-Y733 WeakPolarHBondContact O-CB 3.18Å; I729-Y733 PolarHBondContact O-N 3.06Å; Y733-D735 HydrophobicContact CD1-CB 3.8Å; Y733-D735 HydrophobicContact CE1-CB 3.78Å; Y733-I738 HydrophobicContact CD1-CB 3.92Å; Y733-I738 HydrophobicContact CD1-CD1 4.18Å; Y733-I738 HydrophobicContact CD1-CG2 3.72Å; Y733-I738 HydrophobicContact CE1-CB 4.3Å; Y733-I738 HydrophobicContact CE1-CD1 3.64Å; Y733-I738 HydrophobicContact CE1-CG2 4.18Å; Y733-I738 HydrophobicContact CG-CG2 4.03Å; Y733-Q739 PolarHBondContact O-NE2 3.23Å
734P76.8Confident82.6Confident71 Ų7153.6 Ų53.646%0.46129%0.294SS..SBendtrans-73.1-26.5-175.526.9-36000115E686E686-P734 WeakPolarHBondContact OE1-CG 3.5Å
735D80.3Confident82.6Confident52 Ų5249.7 Ų49.728%0.27827%0.268SS..  trans-83.9119.2-179.5-175.5-20.6000111.9Y733 V737 I738 Q739Y733-D735 HydrophobicContact CD1-CB 3.8Å; Y733-D735 HydrophobicContact CE1-CB 3.78Å; D735-V737 VanDerWaalsContact C-N 3.32Å; D735-V737 PolarHBondContact O-N 2.68Å; D735-V737 WeakPolarHBondContact OD1-CB 3.33Å; D735-V737 PolarHBondContact OD1-N 3.38Å; D735-I738 HydrophobicContact CB-CB 4.21Å; D735-I738 HydrophobicContact CB-CD1 4.14Å; D735-I738 HydrophobicContact CB-CG1 4.26Å; D735-I738 PolarHBondContact O-N 3.25Å; D735-Q739 PolarHBondContact O-N 3.29Å; D735-Q739 VanDerWaalsContact O-N 3.11Å
736P80.3Confident82.7Confident86 Ų8651.7 Ų51.756%0.55827%0.273SS*.Hα-helixtrans-66.1-28.8-17928.1-35.6000113.8I738 Q739 E740P736-I738 VanDerWaalsContact C-N 3.32Å; P736-Q739 PolarHBondContact O-N 2.99Å; P736-E740 PolarHBondContact O-N 2.77Å
737V81.4Confident82.6Confident101 Ų10154.4 Ų54.461%0.61229%0.287SS*.Hα-helixtrans-68.8-37179.3-176.60000110.2D735 L741D735-V737 VanDerWaalsContact C-N 3.32Å; D735-V737 PolarHBondContact O-N 2.68Å; D735-V737 WeakPolarHBondContact OD1-CB 3.33Å; D735-V737 PolarHBondContact OD1-N 3.38Å; V737-L741 WeakPolarHBondContact O-CB 3.46Å; V737-L741 PolarHBondContact O-N 3.32Å; V737-L741 VanDerWaalsContact O-N 3.12Å
738I82.5Confident82.5Confident7 Ų750.7 Ų50.74%0.03627%0.27CS..Hα-helixtrans-72.7-36.2175.4-67.9177.2000110.8S691 L694 M698 I729 Y733 D735 P736 A742S691-I738 WeakPolarHBondContact OG-CD1 3.43Å; L694-I738 HydrophobicContact CD2-CD1 4.35Å; L694-I738 HydrophobicContact CD2-CG2 3.72Å; L694-I738 HydrophobicContact CG-CG2 4.2Å; M698-I738 HydrophobicContact CE-CG2 4.36Å; M698-I738 HydrophobicContact SD-CG2 3.98Å; I729-I738 HydrophobicContact CG2-CG2 4.04Å; Y733-I738 HydrophobicContact CD1-CB 3.92Å; Y733-I738 HydrophobicContact CD1-CD1 4.18Å; Y733-I738 HydrophobicContact CD1-CG2 3.72Å; Y733-I738 HydrophobicContact CE1-CB 4.3Å; Y733-I738 HydrophobicContact CE1-CD1 3.64Å; Y733-I738 HydrophobicContact CE1-CG2 4.18Å; Y733-I738 HydrophobicContact CG-CG2 4.03Å; D735-I738 HydrophobicContact CB-CB 4.21Å; D735-I738 HydrophobicContact CB-CD1 4.14Å; D735-I738 HydrophobicContact CB-CG1 4.26Å; D735-I738 PolarHBondContact O-N 3.25Å; P736-I738 VanDerWaalsContact C-N 3.32Å; I738-A742 WeakPolarHBondContact O-CB 3.38Å; I738-A742 PolarHBondContact O-N 3.27Å
739Q83.2Confident82.6Confident69 Ų6946 Ų4632%0.32225%0.25SC..Hα-helixtrans-61.1-49.2172.4-69.5-176.7-4.600112.1Y733 D735 P736 A742 V743Y733-Q739 PolarHBondContact O-NE2 3.23Å; D735-Q739 PolarHBondContact O-N 3.29Å; D735-Q739 VanDerWaalsContact O-N 3.11Å; P736-Q739 PolarHBondContact O-N 2.99Å; Q739-A742 WeakPolarHBondContact O-CB 3.34Å; Q739-A742 PolarHBondContact O-N 3.46Å; Q739-V743 WeakPolarHBondContact O-CG2 3.19Å; Q739-V743 PolarHBondContact O-N 3.23Å
740E83.2Confident82.5Confident123 Ų12348.9 Ų48.958%0.57527%0.27SS*.Hα-helixtrans-60.6-48.6-179.4-173171.6-165.300111.2P736 A742 V743 D744P736-E740 PolarHBondContact O-N 2.77Å; E740-A742 VanDerWaalsContact C-N 3.28Å; E740-A742 PolarHBondContact O-N 2.86Å; E740-V743 PolarHBondContact O-N 3.32Å; E740-D744 PolarHBondContact O-N 3.43Å
741L84.1Confident82.4Confident19 Ų1951 Ų5110%0.09928%0.283CS..Hα-helixtrans-61.6-34.1176.1-173.263.2000112.5M698 V737 L745 A763M698-L741 HydrophobicContact CB-CD2 3.98Å; M698-L741 HydrophobicContact CE-CB 3.9Å; M698-L741 HydrophobicContact CE-CD2 4.09Å; M698-L741 HydrophobicContact CE-CG 3.87Å; V737-L741 WeakPolarHBondContact O-CB 3.46Å; V737-L741 PolarHBondContact O-N 3.32Å; V737-L741 VanDerWaalsContact O-N 3.12Å; L741-L745 HydrophobicContact CD1-CD1 4.33Å; L741-L745 HydrophobicContact CD1-CG 4.26Å; L741-L745 HydrophobicContact CG-CD1 4Å; L741-L745 HydrophobicContact CG-CG 4.38Å; L741-L745 WeakPolarHBondContact O-CB 3.4Å; L741-L745 WeakPolarHBondContact O-CG 3.44Å; L741-L745 PolarHBondContact O-N 3.4Å; L741-A763 HydrophobicContact CD1-CB 3.8Å; L741-A763 HydrophobicContact CD2-CB 4.19Å
742A85.3Confident82.1Confident0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-68.4-39.7176.200000112.6M698 L726 I729 I738 Q739 E740 R746M698-A742 HydrophobicContact CE-CB 3.68Å; M698-A742 VanDerWaalsContact CE-N 3.33Å; L726-A742 HydrophobicContact CD2-CB 4.31Å; I729-A742 HydrophobicContact CG2-CB 4.12Å; I738-A742 WeakPolarHBondContact O-CB 3.38Å; I738-A742 PolarHBondContact O-N 3.27Å; Q739-A742 WeakPolarHBondContact O-CB 3.34Å; Q739-A742 PolarHBondContact O-N 3.46Å; E740-A742 VanDerWaalsContact C-N 3.28Å; E740-A742 PolarHBondContact O-N 2.86Å; A742-R746 WeakPolarHBondContact O-CB 3.26Å; A742-R746 PolarHBondContact O-N 3.12Å; A742-R746 VanDerWaalsContact O-N 3.07Å
743V84.8Confident81.9Confident59 Ų5949.1 Ų49.136%0.35828%0.275SS..Hα-helixtrans-63.2-46.9174.5172.50000110.6Q739 E740 R746 I747Q739-V743 WeakPolarHBondContact O-CG2 3.19Å; Q739-V743 PolarHBondContact O-N 3.23Å; E740-V743 PolarHBondContact O-N 3.32Å; V743-R746 WeakPolarHBondContact O-CB 3.37Å; V743-R746 PolarHBondContact O-N 3.04Å; V743-I747 HydrophobicContact CG1-CD1 3.76Å; V743-I747 HydrophobicContact CG1-CG1 4.49Å; V743-I747 WeakPolarHBondContact O-CG1 3.24Å; V743-I747 PolarHBondContact O-N 2.97Å
744D84.1Confident81.4Confident21 Ų2152.6 Ų52.611%0.11231%0.308CS..Hα-helixtrans-67.7-44-176.8-81.9-1.4000112.8E740 R746 I747 T748 T757 A759 I760E740-D744 PolarHBondContact O-N 3.43Å; D744-R746 VanDerWaalsContact C-N 3.31Å; D744-R746 PolarHBondContact O-N 3.46Å; D744-I747 PolarHBondContact O-N 3.11Å; D744-T748 WeakPolarHBondContact O-CB 3.42Å; D744-T748 PolarHBondContact O-N 3.45Å; D744-T748 PolarHBondContact O-OG1 3.32Å; D744-T757 WeakPolarHBondContact CB-OG1 3.46Å; D744-T757 VanDerWaalsContact OD2-CB 3.26Å; D744-T757 WeakPolarHBondContact OD2-CB 3.43Å; D744-T757 PolarHBondContact OD2-OG1 3.2Å; D744-A759 WeakPolarHBondContact OD2-CB 3.47Å; D744-I760 HydrophobicContact CB-CD1 4.08Å; D744-I760 HydrophobicContact CB-CG1 4.07Å
745L85.3Confident80.8Confident0 Ų054.5 Ų54.50%031%0.309CS..Hα-helixtrans-60.3-41.5172.9-70.8173000111.4M698 V701 A702 L705 L726 L741 T748 I749 I760M698-L745 HydrophobicContact CB-CD1 3.87Å; M698-L745 HydrophobicContact CE-CD1 4.13Å; M698-L745 HydrophobicContact CG-CD1 4.34Å; V701-L745 HydrophobicContact CB-CD2 4.41Å; V701-L745 HydrophobicContact CG1-CD2 4.15Å; A702-L745 HydrophobicContact CB-CD2 4.04Å; L705-L745 HydrophobicContact CD1-CD2 3.8Å; L726-L745 HydrophobicContact CD1-CB 4.2Å; L741-L745 HydrophobicContact CD1-CD1 4.33Å; L741-L745 HydrophobicContact CD1-CG 4.26Å; L741-L745 HydrophobicContact CG-CD1 4Å; L741-L745 HydrophobicContact CG-CG 4.38Å; L741-L745 WeakPolarHBondContact O-CB 3.4Å; L741-L745 WeakPolarHBondContact O-CG 3.44Å; L741-L745 PolarHBondContact O-N 3.4Å; L745-T748 PolarHBondContact O-N 3.14Å; L745-I749 WeakPolarHBondContact O-CB 3.5Å; L745-I749 VanDerWaalsContact O-CG1 3.26Å; L745-I749 WeakPolarHBondContact O-CG1 3.39Å; L745-I749 PolarHBondContact O-N 3.27Å; L745-I760 HydrophobicContact CD2-CD1 4.41Å; L745-I760 HydrophobicContact CD2-CG1 4.38Å; L745-I760 HydrophobicContact CD2-CG2 4.45Å
746R86.7Confident80.1Confident76 Ų7655.1 Ų55.129%0.28732%0.321SS..Hα-helixtrans-60.7-45.1175.6174.2-165.4170.8165.79.1111.8L723 L726 E727 A742 V743 D744 S750L723-R746 HydrophobicContact CD2-CB 4.33Å; L723-R746 HydrophobicContact CD2-CG 3.85Å; L723-R746 WeakPolarHBondContact CD2-O 3.5Å; L726-R746 HydrophobicContact CB-CB 4.34Å; E727-R746 VanDerWaalsContact CD-CZ 3.44Å; E727-R746 IonicContact OE1-CZ 3.89Å; E727-R746 IonicContact OE1-NH1 3.12Å; E727-R746 PolarHBondContact OE1-NH1 2.98Å; E727-R746 IonicContact OE1-NH2 2.7Å; E727-R746 PolarHBondContact OE1-NH2 3.09Å; E727-R746 IonicContact OE2-CZ 3.85Å; E727-R746 IonicContact OE2-NH1 3.84Å; E727-R746 IonicContact OE2-NH2 2.67Å; E727-R746 PolarHBondContact OE2-NH2 2.9Å; A742-R746 WeakPolarHBondContact O-CB 3.26Å; A742-R746 PolarHBondContact O-N 3.12Å; A742-R746 VanDerWaalsContact O-N 3.07Å; V743-R746 WeakPolarHBondContact O-CB 3.37Å; V743-R746 PolarHBondContact O-N 3.04Å; D744-R746 VanDerWaalsContact C-N 3.31Å; D744-R746 PolarHBondContact O-N 3.46Å; R746-S750 VanDerWaalsContact O-CB 3.28Å; R746-S750 WeakPolarHBondContact O-CB 3.22Å; R746-S750 PolarHBondContact O-N 3.46Å; R746-S750 PolarHBondContact O-OG 3.06Å
747I82.9Confident79.6Confident61 Ų6152.7 Ų52.731%0.31331%0.305SS..Hα-helixtrans-65.3-43.9178.5-66.7165.2000110.5V743 D744 S750 T751 F755V743-I747 HydrophobicContact CG1-CD1 3.76Å; V743-I747 HydrophobicContact CG1-CG1 4.49Å; V743-I747 WeakPolarHBondContact O-CG1 3.24Å; V743-I747 PolarHBondContact O-N 2.97Å; D744-I747 PolarHBondContact O-N 3.11Å; I747-S750 PolarHBondContact O-N 2.95Å; I747-T751 HydrophobicContact CG2-CG2 4.32Å; I747-T751 WeakPolarHBondContact O-CB 3.38Å; I747-T751 WeakPolarHBondContact O-CG2 3.37Å; I747-T751 PolarHBondContact O-N 3.45Å; I747-T751 PolarHBondContact O-OG1 3.45Å; I747-F755 HydrophobicContact CG2-CD1 3.65Å; I747-F755 HydrophobicContact CG2-CE1 4.17Å
748T82.5Confident78.9Confident2 Ų255.6 Ų55.61%0.01231%0.312CS..Hα-helixtrans-66.1-41.2-178.3-55.90000112L705 D744 L745 T751 H752 G753 F755 A756 I760L705-T748 HydrophobicContact CB-CG2 4.19Å; L705-T748 HydrophobicContact CD1-CG2 4Å; L705-T748 HydrophobicContact CD2-CG2 4.34Å; L705-T748 HydrophobicContact CG-CG2 4.41Å; D744-T748 WeakPolarHBondContact O-CB 3.42Å; D744-T748 PolarHBondContact O-N 3.45Å; D744-T748 PolarHBondContact O-OG1 3.32Å; L745-T748 PolarHBondContact O-N 3.14Å; T748-T751 PolarHBondContact O-OG1 2.98Å; T748-H752 PolarHBondContact O-N 3.33Å; T748-G753 PolarHBondContact O-N 3.26Å; T748-F755 WeakPolarHBondContact CA-O 3.39Å; T748-F755 WeakPolarHBondContact CB-O 3.49Å; T748-F755 WeakPolarHBondContact CG2-O 3.28Å; T748-F755 PolarHBondContact OG1-O 2.75Å; T748-F755 VanDerWaalsContact OG1-O 3.05Å; T748-A756 HydrophobicContact CG2-CB 4.22Å; T748-I760 HydrophobicContact CG2-CD1 4.17Å; T748-I760 WeakPolarHBondContact OG1-CD1 3.42Å
749I85Confident78.2Confident0 Ų056.8 Ų56.80%032%0.323CS..Hα-helixtrans-64.9-42.6172.4-66.7166.6000110.9V701 L705 L719 K720 L723 L726 L745 T751 H752V701-I749 HydrophobicContact CG1-CD1 4.22Å; L705-I749 HydrophobicContact CD1-CD1 4.4Å; L705-I749 HydrophobicContact CD1-CG1 3.81Å; L705-I749 HydrophobicContact CD2-CG1 4.29Å; L719-I749 HydrophobicContact CB-CD1 4.48Å; L719-I749 HydrophobicContact CB-CG1 4.4Å; L719-I749 HydrophobicContact CB-CG2 3.97Å; K720-I749 HydrophobicContact CG-CG2 4.41Å; L723-I749 HydrophobicContact CD1-CG2 4.39Å; L723-I749 HydrophobicContact CD2-CB 4Å; L723-I749 HydrophobicContact CD2-CG2 3.84Å; L723-I749 HydrophobicContact CG-CG2 4.08Å; L726-I749 HydrophobicContact CD1-CD1 3.98Å; L745-I749 WeakPolarHBondContact O-CB 3.5Å; L745-I749 VanDerWaalsContact O-CG1 3.26Å; L745-I749 WeakPolarHBondContact O-CG1 3.39Å; L745-I749 PolarHBondContact O-N 3.27Å; I749-T751 VanDerWaalsContact C-N 3.31Å; I749-T751 PolarHBondContact O-N 3.4Å; I749-H752 PolarHBondContact O-N 3.11Å
750S81.7Confident77.8Confident61 Ų6153.6 Ų53.643%0.42731%0.308SS..Hα-helixtrans-66-33.3-178.6-600000112.9L723 R746 I747L723-S750 WeakPolarHBondContact CD2-OG 3.41Å; R746-S750 VanDerWaalsContact O-CB 3.28Å; R746-S750 WeakPolarHBondContact O-CB 3.22Å; R746-S750 PolarHBondContact O-N 3.46Å; R746-S750 PolarHBondContact O-OG 3.06Å; I747-S750 PolarHBondContact O-N 2.95Å
751T82.6Confident77.2Confident55 Ų5550 Ų5034%0.33730%0.297SS..THydrogen-bonded Turntrans-906.9178.457.30000113.7I747 T748 I749 G753 A754 F755I747-T751 HydrophobicContact CG2-CG2 4.32Å; I747-T751 WeakPolarHBondContact O-CB 3.38Å; I747-T751 WeakPolarHBondContact O-CG2 3.37Å; I747-T751 PolarHBondContact O-N 3.45Å; I747-T751 PolarHBondContact O-OG1 3.45Å; T748-T751 PolarHBondContact O-OG1 2.98Å; I749-T751 VanDerWaalsContact C-N 3.31Å; I749-T751 PolarHBondContact O-N 3.4Å; T751-G753 PolarHBondContact O-N 2.6Å; T751-A754 VanDerWaalsContact O-CB 3.24Å; T751-A754 WeakPolarHBondContact O-CB 3.41Å; T751-A754 PolarHBondContact O-N 3.12Å; T751-A754 VanDerWaalsContact O-N 3.1Å; T751-F755 HydrophobicContact CG2-CB 4.35Å; T751-F755 PolarHBondContact OG1-N 3.38Å
752H76.2Confident76.7Confident109 Ų10952.7 Ų52.751%0.50531%0.314SS..THydrogen-bonded Turntrans52.838.2-175-67-99.8000113.5F716 K720 T748 I749 A754F716-H752 VanDerWaalsContact CB-ND1 3.25Å; F716-H752 WeakPolarHBondContact CB-ND1 3.26Å; F716-H752 HydrophobicContact CD1-CB 4.32Å; F716-H752 AromaticContact CD2-ND1 3.92Å; F716-H752 HydrophobicContact CE1-CB 4.43Å; F716-H752 HydrophobicContact CG-CB 4.39Å; F716-H752 AromaticContact CG-ND1 3.46Å; F716-H752 WeakPolarHBondContact CG-ND1 3.32Å; K720-H752 PolarHBondContact NZ-NE2 3.36Å; K720-H752 VanDerWaalsContact NZ-NE2 3.13Å; T748-H752 PolarHBondContact O-N 3.33Å; I749-H752 PolarHBondContact O-N 3.11Å; H752-A754 VanDerWaalsContact C-N 3.29Å; H752-A754 PolarHBondContact O-N 3.21Å
753G72.1Confident76.1Confident39 Ų3953.3 Ų53.340%0.40232%0.319SS..THydrogen-bonded Turntrans775.7-178.900000115.3T748 T751 F755T748-G753 PolarHBondContact O-N 3.26Å; T751-G753 PolarHBondContact O-N 2.6Å; G753-F755 PolarHBondContact O-N 3.04Å
754A67.7Low75.5Confident93 Ų9350.9 Ų50.977%0.76931%0.305SS*.SBendtrans-71.5-15.1177.500000113.8T751 H752T751-A754 VanDerWaalsContact O-CB 3.24Å; T751-A754 WeakPolarHBondContact O-CB 3.41Å; T751-A754 PolarHBondContact O-N 3.12Å; T751-A754 VanDerWaalsContact O-N 3.1Å; H752-A754 VanDerWaalsContact C-N 3.29Å; H752-A754 PolarHBondContact O-N 3.21Å
755F65.2Low74.9Confident112 Ų11255.2 Ų55.249%0.49133%0.325SS..  trans-137.2126.6173.8-178.3-92.7000108.9I747 T748 T751 G753 T757I747-F755 HydrophobicContact CG2-CD1 3.65Å; I747-F755 HydrophobicContact CG2-CE1 4.17Å; T748-F755 WeakPolarHBondContact CA-O 3.39Å; T748-F755 WeakPolarHBondContact CB-O 3.49Å; T748-F755 WeakPolarHBondContact CG2-O 3.28Å; T748-F755 PolarHBondContact OG1-O 2.75Å; T748-F755 VanDerWaalsContact OG1-O 3.05Å; T751-F755 HydrophobicContact CG2-CB 4.35Å; T751-F755 PolarHBondContact OG1-N 3.38Å; G753-F755 PolarHBondContact O-N 3.04Å; F755-T757 HydrophobicContact CE1-CG2 3.79Å; F755-T757 HydrophobicContact CZ-CG2 4.14Å
756A65.1Low74.3Confident64 Ų6458.7 Ų58.753%0.52935%0.349SS..  trans-141.8137.3175.500000109.3T748T748-A756 HydrophobicContact CG2-CB 4.22Å
757T70.1Confident73.5Confident36 Ų3657.2 Ų57.222%0.22135%0.348CS..  trans-93.7161.6-179.3450000112.1D744 F755 A759 I760D744-T757 WeakPolarHBondContact CB-OG1 3.46Å; D744-T757 VanDerWaalsContact OD2-CB 3.26Å; D744-T757 WeakPolarHBondContact OD2-CB 3.43Å; D744-T757 PolarHBondContact OD2-OG1 3.2Å; F755-T757 HydrophobicContact CE1-CG2 3.79Å; F755-T757 HydrophobicContact CZ-CG2 4.14Å; T757-A759 PolarHBondContact O-N 2.67Å; T757-I760 PolarHBondContact O-N 3.16Å
758E66.8Low72.7Confident161 Ų16159 Ų5975%0.75236%0.358SS*.Hα-helixtrans-62.9-24.7178.2-162.8165.7-160.700112.6I760 S761 T762E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 2.93Å; E758-S761 WeakPolarHBondContact CA-OG 3.41Å; E758-S761 PolarHBondContact O-N 3.01Å; E758-S761 PolarHBondContact O-OG 2.86Å; E758-T762 WeakPolarHBondContact O-CB 3.37Å; E758-T762 WeakPolarHBondContact O-CG2 3.38Å; E758-T762 PolarHBondContact O-N 3.09Å; E758-T762 PolarHBondContact O-OG1 2.97Å
759A68.8Low71.4Confident32 Ų3265.2 Ų65.226%0.26439%0.391SS..Hα-helixtrans-60.5-36.4170.700000113.1D744 T757 T762 A763D744-A759 WeakPolarHBondContact OD2-CB 3.47Å; T757-A759 PolarHBondContact O-N 2.67Å; A759-T762 WeakPolarHBondContact CA-OG1 3.49Å; A759-T762 PolarHBondContact O-OG1 2.82Å; A759-T762 VanDerWaalsContact O-OG1 3.06Å; A759-A763 WeakPolarHBondContact O-CB 3.42Å; A759-A763 PolarHBondContact O-N 3.36Å
760I73.8Confident69.9Low2 Ų274.9 Ų74.91%0.0143%0.428CS..Hα-helixtrans-74.2-42178.7-61.2175.8000110.5A702 D744 L745 T748 T757 E758 A763 A764A702-I760 HydrophobicContact CB-CG2 3.94Å; D744-I760 HydrophobicContact CB-CD1 4.08Å; D744-I760 HydrophobicContact CB-CG1 4.07Å; L745-I760 HydrophobicContact CD2-CD1 4.41Å; L745-I760 HydrophobicContact CD2-CG1 4.38Å; L745-I760 HydrophobicContact CD2-CG2 4.45Å; T748-I760 HydrophobicContact CG2-CD1 4.17Å; T748-I760 WeakPolarHBondContact OG1-CD1 3.42Å; T757-I760 PolarHBondContact O-N 3.16Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 2.93Å; I760-A763 PolarHBondContact O-N 3.15Å; I760-A764 VanDerWaalsContact O-CB 3.29Å; I760-A764 WeakPolarHBondContact O-CB 3.45Å; I760-A764 PolarHBondContact O-N 2.88Å
761S70.2Confident67.6Low49 Ų4978.3 Ų78.334%0.34344%0.435SS..Hα-helixtrans-65.8-37.4176.347.40000112.6E758 Q765E758-S761 WeakPolarHBondContact CA-OG 3.41Å; E758-S761 PolarHBondContact O-N 3.01Å; E758-S761 PolarHBondContact O-OG 2.86Å; S761-Q765 WeakPolarHBondContact O-CB 3.31Å; S761-Q765 VanDerWaalsContact O-CG 3.26Å; S761-Q765 WeakPolarHBondContact O-CG 3.34Å; S761-Q765 PolarHBondContact O-N 3.04Å
762T73.6Confident65.2Low74 Ų7483.2 Ų83.245%0.45446%0.459SS..Hα-helixtrans-71.9-40.2176.348.50000111.9E758 A759 A764 Q765 S766E758-T762 WeakPolarHBondContact O-CB 3.37Å; E758-T762 WeakPolarHBondContact O-CG2 3.38Å; E758-T762 PolarHBondContact O-N 3.09Å; E758-T762 PolarHBondContact O-OG1 2.97Å; A759-T762 WeakPolarHBondContact CA-OG1 3.49Å; A759-T762 PolarHBondContact O-OG1 2.82Å; A759-T762 VanDerWaalsContact O-OG1 3.06Å; T762-A764 VanDerWaalsContact C-N 3.35Å; T762-A764 PolarHBondContact O-N 2.79Å; T762-Q765 PolarHBondContact O-N 3.26Å; T762-S766 WeakPolarHBondContact O-CB 3.48Å; T762-S766 PolarHBondContact O-N 3.18Å; T762-S766 PolarHBondContact O-OG 2.86Å
763A73.3Confident63.2Low14 Ų1484 Ų8412%0.11647%0.474CS..Hα-helixtrans-62.8-38.4171.500000112.8A702 L741 A759 I760 S766 T767A702-A763 HydrophobicContact CB-CB 3.99Å; L741-A763 HydrophobicContact CD1-CB 3.8Å; L741-A763 HydrophobicContact CD2-CB 4.19Å; A759-A763 WeakPolarHBondContact O-CB 3.42Å; A759-A763 PolarHBondContact O-N 3.36Å; I760-A763 PolarHBondContact O-N 3.15Å; A763-S766 PolarHBondContact O-OG 3.36Å; A763-T767 WeakPolarHBondContact O-CB 3.45Å; A763-T767 PolarHBondContact O-N 3.02Å; A763-T767 PolarHBondContact O-OG1 2.88Å
764A73Confident61.1Low8 Ų891.4 Ų91.47%0.06650%0.498CS..Hα-helixtrans-64.7-46.3174.500000111.7A702 V703 I760 T762 T767 L768A702-A764 HydrophobicContact CB-CB 4.46Å; V703-A764 HydrophobicContact CG2-CB 3.98Å; I760-A764 VanDerWaalsContact O-CB 3.29Å; I760-A764 WeakPolarHBondContact O-CB 3.45Å; I760-A764 PolarHBondContact O-N 2.88Å; T762-A764 VanDerWaalsContact C-N 3.35Å; T762-A764 PolarHBondContact O-N 2.79Å; A764-T767 PolarHBondContact O-N 2.9Å; A764-L768 WeakPolarHBondContact O-CG 3.21Å; A764-L768 PolarHBondContact O-N 3.29Å; A764-L768 VanDerWaalsContact O-N 3.08Å
765Q71.5Confident59.2Low111 Ų11190.4 Ų90.452%0.51950%0.497SS..Hα-helixtrans-65.6-39.7177.8-72.9172.613.900112.7S761 T762 T767 L768 N769S761-Q765 WeakPolarHBondContact O-CB 3.31Å; S761-Q765 VanDerWaalsContact O-CG 3.26Å; S761-Q765 WeakPolarHBondContact O-CG 3.34Å; S761-Q765 PolarHBondContact O-N 3.04Å; T762-Q765 PolarHBondContact O-N 3.26Å; Q765-T767 VanDerWaalsContact C-N 3.26Å; Q765-T767 PolarHBondContact O-N 3.5Å; Q765-L768 PolarHBondContact O-N 3.48Å; Q765-N769 WeakPolarHBondContact O-CB 3.43Å; Q765-N769 PolarHBondContact O-N 2.88Å; Q765-N769 PolarHBondContact O-ND2 3.43Å
766S71.5Confident57.5Low73 Ų7395 Ų9551%0.5152%0.517SS..Hα-helixtrans-65.8-29.6177.371.30000112.7T762 A763T762-S766 WeakPolarHBondContact O-CB 3.48Å; T762-S766 PolarHBondContact O-N 3.18Å; T762-S766 PolarHBondContact O-OG 2.86Å; A763-S766 PolarHBondContact O-OG 3.36Å
767T69.9Low55.8Low45 Ų4598.2 Ų98.228%0.27652%0.523SS..Hα-helixtrans-75.8-35.4175-52.90000111.8V703 A763 A764 Q765V703-T767 HydrophobicContact CG2-CG2 4.11Å; A763-T767 WeakPolarHBondContact O-CB 3.45Å; A763-T767 PolarHBondContact O-N 3.02Å; A763-T767 PolarHBondContact O-OG1 2.88Å; A764-T767 PolarHBondContact O-N 2.9Å; Q765-T767 VanDerWaalsContact C-N 3.26Å; Q765-T767 PolarHBondContact O-N 3.5Å
768L66.3Low53.8Low100 Ų100103.5 Ų103.552%0.52455%0.546SS..Hα-helixtrans-78.2-38.3179.6-71.9165.5000113.6V703 A764 Q765 R770V703-L768 HydrophobicContact CG1-CD2 4.38Å; V703-L768 HydrophobicContact CG2-CD1 4.49Å; V703-L768 HydrophobicContact CG2-CG 4.17Å; A764-L768 WeakPolarHBondContact O-CG 3.21Å; A764-L768 PolarHBondContact O-N 3.29Å; A764-L768 VanDerWaalsContact O-N 3.08Å; Q765-L768 PolarHBondContact O-N 3.48Å; L768-R770 PolarHBondContact O-N 3.17Å
769N55.2Low52Low132 Ų132103 Ų10371%0.70654%0.543SS*.G310 helixtrans-79.82.2-172.4-68.7-16.1000114.5Q765 K771Q765-N769 WeakPolarHBondContact O-CB 3.43Å; Q765-N769 PolarHBondContact O-N 2.88Å; Q765-N769 PolarHBondContact O-ND2 3.43Å; N769-K771 VanDerWaalsContact C-N 3.34Å; N769-K771 PolarHBondContact O-N 3.18Å
770R52.6Low49.9Very low202 Ų202107.8 Ų107.876%0.76256%0.56SS**G310 helixtrans-91.313.1-170.5-145.5174.1178.4-175-2.8114.5L768L768-R770 PolarHBondContact O-N 3.17Å
771K34.6Very low47.6Very low133 Ų133115 Ų11558%0.57859%0.594SS**G310 helixtrans-88.4-11.9-171.3-83.4-152.8173.7-151.10116.7E657 N769 P773E657-K771 IonicContact OE1-NZ 2.86Å; E657-K771 PolarHBondContact OE1-NZ 2.99Å; E657-K771 IonicContact OE2-NZ 2.71Å; E657-K771 PolarHBondContact OE2-NZ 2.91Å; N769-K771 VanDerWaalsContact C-N 3.34Å; N769-K771 PolarHBondContact O-N 3.18Å; K771-P773 WeakPolarHBondContact O-CD 3.15Å
772D31Very low45.5Very low159 Ų159120.7 Ų120.785%0.8562%0.615SS**  trans-116.8105179.5-66.5-45000112.1
773P34.3Very low43.1Very low124 Ų124123.5 Ų123.581%0.80563%0.632SS**  trans-111.547.6172.839.8-31.6000113.1K771K771-P773 WeakPolarHBondContact O-CD 3.15Å
774E29Very low40.8Very low195 Ų195127.6 Ų127.691%0.91166%0.66SS**  trans-128.6112.4163.8-75.6-161.6157.900111.7
775G28.5Very low38.5Very low72 Ų72137.3 Ų137.374%0.74270%0.695SS**SBendtrans117.3111.5161.300000117
776K28.2Very low36.3Very low209 Ų209139.5 Ų139.591%0.90971%0.705SS**  trans81.5101.9156.2-55.1-172.1177.8-172.30118.5
777I29.5Very low33.8Very low131 Ų131147.5 Ų147.567%0.67272%0.724SS**  trans-74.9134.3145.1-64.2166.9000107.8
778E28.9Very low32.2Very low148 Ų148150.8 Ų150.869%0.69275%0.746SS**  trans170.493.8150.1-98.6168.5-130.500105.5
779E28.1Very low30Very low149 Ų149150 Ų15070%0.69675%0.754SS**  66.595.390.2-74.6-110.4109.700115.1
780Q25.2Very low28.5Very low133 Ų133151 Ų15162%0.62176%0.759SS**  78.5137.3129.6-62.2-1614200123.1
781Q25.7Very low27.3Very low155 Ų155147.6 Ų147.672%0.72476%0.761SS**  trans75.1110147.1-70.7172.94500121.2
782Q26.4Very low26.7Very low168 Ų168144.9 Ų144.979%0.78576%0.763SS**  21.9115.9128.1-59.4175.6-20.500118.2
783T23.1Very low26.4Very low132 Ų132145.5 Ų145.581%0.8176%0.761SS**  173.6145.298.435.30000114.1
784S24.4Very low25.8Very low100 Ų100143.7 Ų143.770%0.69975%0.751SS**  trans25.9128.4150.762.30000123.8
785R24.7Very low25.7Very low212 Ų212143 Ų14380%0.875%0.747SS**  trans80.6126.9130.9-80.3-174.9166.9162.53122
786E24.2Very low25.6Very low158 Ų158147.1 Ų147.174%0.73875%0.752SS**  trans74.2109.4132.9-69.2159.9-152.700120
787R19.6Very low25.4Very low241 Ų241146.3 Ų146.391%0.90975%0.751SS**  trans-65.5177.5147.4-59.8-178.5175.1176.9-1.4109.9
788P35.8Very low25.2Very low113 Ų113148.7 Ų148.773%0.73476%0.759SS**  cis-139.3-179.24.738.6-19.1000116.5
789A21.7Very low25Very low83 Ų83149.6 Ų149.669%0.68676%0.764SS**  trans66153.9146.500000117.6
790D22.5Very low24.8Very low153 Ų153150 Ų15082%0.81877%0.765SS**  cis-157.9-172.5-10.5-118.5-36.1000107.8
791V27.4Very low24.7Very low132 Ų132148.3 Ų148.380%0.877%0.768SS**  trans115.274164.1-1720000114.9
792A22.2Very low24.7Very low75 Ų75149.7 Ų149.762%0.6277%0.774SS**  49.3135.6104.900000122.3
793H24.2Very low24.6Very low173 Ų173150.8 Ų150.880%0.80178%0.779SS**  trans81.797.2148.2-65.7-52.5000121.2
794S23.1Very low24.7Very low86 Ų86152.2 Ų152.260%0.60178%0.78SS**  45.4132.8121.6610000120.5
795H25.5Very low24.7Very low179 Ų179151.8 Ų151.883%0.82978%0.783SS**  -161.2140.8102.9-102.6-77000111.8
796L26.2Very low25Very low160 Ų160147.5 Ų147.584%0.83878%0.782SS**  trans-86.1128.6164.2-94.4155.8000108
797E24.5Very low25.1Very low192 Ų192149.1 Ų149.190%0.89779%0.79SS**  trans-148.4116157.2-115.2168-152.200109.7
798Q25.7Very low25.2Very low180 Ų180144.7 Ų144.784%0.84179%0.79SS**  trans-87.9132.9165.1-70.5175.2-41.700108
799Q24.4Very low24.7Very low168 Ų168142.3 Ų142.379%0.78579%0.786SS**  -179.3155.2125-103.7174.147.100115.1
800Q24.7Very low24.9Very low157 Ų157145.9 Ų145.973%0.73479%0.793SS**  trans77.696.5153.6-69.9165.441.400120.1
801S23.3Very low25Very low97 Ų97145.9 Ų145.968%0.67879%0.788SS**  trans-8.1133133.852.70000119
802H25.2Very low24.8Very low184 Ų184145 Ų14585%0.85279%0.787SS**  -170.6127.5112.8-102.8-70.4000111.2
803E24.3Very low24.9Very low191 Ų191148.1 Ų148.189%0.89379%0.794SS**  trans-87.4132170.4-66.1-179.9133.500110.9
804I24.8Very low24.9Very low162 Ų162144.7 Ų144.783%0.83180%0.795SS**  trans-141.6121.7154.8-60.8-176.5000108
805A25.5Very low25.2Very low91 Ų91146.3 Ų146.375%0.75280%0.804SS**  trans-100.8149.8166.400000110.5
806P29.7Very low25.2Very low122 Ų122145.7 Ų145.779%0.79281%0.805SS**  trans-124.9136.3147.934.1-23.6000111.8
807Q26.1Very low25.7Very low193 Ų193145.2 Ų145.290%0.90280%0.802SS**  trans-104.9134.7170.1-70.6-174.2-4.800111.3
808T23.2Very low26.6Very low147 Ų147141.4 Ų141.490%0.90279%0.793SS**  trans-163.9137.3159.428.90000106
809G23.8Very low26.5Very low63 Ų63141.3 Ų141.365%0.64979%0.793SS**  cis161161.5-5.100000109.9
810L25.7Very low26.6Very low159 Ų159136.5 Ų136.583%0.83279%0.788SS**  trans69.6154.3167-51166.7000115.1
811Q24.6Very low26.7Very low153 Ų153134.7 Ų134.772%0.71579%0.788SS**  cis-166.3154.6-3.2-126168.45.200110.6
812S23.5Very low26.8Very low113 Ų113136.3 Ų136.379%0.7979%0.789SS**  trans-177.797.8150.6-176.50000109.6
813N24.6Very low26.8Very low141 Ų141135.4 Ų135.475%0.75479%0.785SS**  68.9100.178-78.2-5.4000117
814A23.8Very low27.4Very low101 Ų101131.5 Ų131.584%0.83578%0.776SS**  trans-157.1157.2149.500000109.9
815P31Very low27.5Very low120 Ų120128.7 Ų128.778%0.77977%0.771SS**  trans-117.5142.2-14438.5-29000119
816I25Very low27.5Very low166 Ų166131.3 Ų131.385%0.85178%0.777SS**  trans38.3120.6130.2-58.9176.5000121
817I36.9Very low27.5Very low150 Ų150131.5 Ų131.577%0.76978%0.776SS**  trans-68161.8166.1-18175.6000112.5
818P42.2Very low27.6Very low111 Ų111128.6 Ų128.672%0.72177%0.772SS**  -151.4-172.492.841.7-23.3000112.3
819Q24.4Very low28.1Very low179 Ų179127 Ų12784%0.83677%0.767SS**  cis-136177.12.4-72.3-176.59.800108.1
820G26.4Very low28.6Very low66 Ų66132.5 Ų132.568%0.6878%0.776SS**  cis146.9171.9-8.200000113.2
821V26.7Very low29Very low120 Ų120134.2 Ų134.273%0.72778%0.776SS**  trans83.289.7174.6-168.10000114.6
822N24.6Very low29.5Very low131 Ų131132.8 Ų132.870%0.70178%0.784SS**  82.4143.982.4-68.814.4000111.9
823E26.1Very low30.4Very low165 Ų165130.3 Ų130.377%0.77178%0.776SS**  cis-170.8-172.47.9-120.1174-154.500106.8
824P36.4Very low31.8Very low108 Ų108128.9 Ų128.970%0.70178%0.777SS**  cis-128.8-179.5-24.631.6-11000113.8
825S26.6Very low33.6Very low103 Ų103125.3 Ų125.372%0.7274%0.743SS**  trans-47.3153.3177.145.80000119.4
826T26.3Very low35.3Very low146 Ų146122.6 Ų122.690%0.89673%0.725SS**  -148.6138.5122.400000112
827T30.2Very low37.5Very low126 Ų126119 Ų11977%0.77371%0.711SS**  trans-86.3134.7-17648.60000112.5
828T28.5Very low39.1Very low132 Ų132119.3 Ų119.381%0.8171%0.709SS**  trans-151.6116.113411.30000111.1Q830T828-Q830 PolarHBondContact O-N 3.2Å
829S33.7Very low40.7Very low113 Ų113118.3 Ų118.379%0.7970%0.695SS**  trans-66.9109.2160.6171.20000108.4
830Q33.6Very low43.3Very low180 Ų180110.1 Ų110.184%0.84166%0.656SS**  trans-103116.8156.7-77.9-168.2-12.300108.1T828 S832T828-Q830 PolarHBondContact O-N 3.2Å; Q830-S832 PolarHBondContact O-N 2.94Å
831K34.7Very low45.8Very low194 Ų194112.8 Ų112.884%0.84365%0.651SS**  trans-60.5122.4169.8-63.6172.3177.8177.60107.8G833K831-G833 VanDerWaalsContact C-N 3.31Å; K831-G833 PolarHBondContact O-N 3.49Å
832S34.5Very low48.5Very low124 Ų124113.1 Ų113.187%0.86765%0.645SS**  trans-66.393.5164.740.90000108.6Q830Q830-S832 PolarHBondContact O-N 2.94Å
833G41.9Very low51.4Low60 Ų60108.1 Ų108.162%0.61962%0.619SS**PPolyproline II helixtrans-60.8145.1169.100000109.7K831 I835K831-G833 VanDerWaalsContact C-N 3.31Å; K831-G833 PolarHBondContact O-N 3.49Å; G833-I835 PolarHBondContact O-N 3.4Å
834S53.5Low54.2Low112 Ų112101.3 Ų101.378%0.78359%0.587SS**PPolyproline II helixtrans-59.4127.5172.947.70000109.5T836S834-T836 PolarHBondContact O-N 3.3Å
835I61.5Low56.4Low26 Ų26102.1 Ų102.113%0.13359%0.585CS.*PPolyproline II helixtrans-58.2130.1-174.7-79.1148.5000110.5G833 Q839 L840 W865 E870 K872G833-I835 PolarHBondContact O-N 3.4Å; I835-Q839 HydrophobicContact CG2-CB 4.21Å; I835-L840 HydrophobicContact CG2-CB 4.29Å; I835-W865 HydrophobicContact CD1-CD2 4.07Å; I835-W865 VanDerWaalsContact CD1-CE2 3.49Å; I835-W865 HydrophobicContact CD1-CG 4.3Å; I835-W865 HydrophobicContact CD1-CZ2 3.79Å; I835-W865 HydrophobicContact CG1-CZ2 4.24Å; I835-W865 HydrophobicContact CG2-CH2 4.39Å; I835-E870 WeakPolarHBondContact CD1-OE1 3.36Å; I835-E870 WeakPolarHBondContact CD1-OE2 3.34Å; I835-K872 WeakPolarHBondContact O-CD 3.42Å; I835-K872 WeakPolarHBondContact O-CE 3.4Å; I835-K872 PolarHBondContact O-NZ 3.14Å
836T68.4Low59.3Low62 Ų6298.8 Ų98.838%0.3856%0.562SS.*PPolyproline II helixtrans-74.8151175.760.10000109.6S834 E838 Q839 L840S834-T836 PolarHBondContact O-N 3.3Å; T836-E838 PolarHBondContact O-N 3.44Å; T836-Q839 PolarHBondContact O-N 2.69Å; T836-Q839 WeakPolarHBondContact OG1-CG 3.37Å; T836-Q839 PolarHBondContact OG1-N 2.85Å; T836-Q839 PolarHBondContact OG1-OE1 2.92Å; T836-L840 PolarHBondContact O-N 3.29Å
837T69.4Low62.1Low91 Ų9191.9 Ų91.956%0.55852%0.52SS*.Hα-helixtrans-63.9-28-179.1-43.70000111.3Q841 K872T837-Q841 WeakPolarHBondContact O-CB 3.33Å; T837-Q841 PolarHBondContact O-N 2.91Å; T837-K872 PolarHBondContact OG1-NZ 3.03Å
838E71Confident64.8Low156 Ų15691.4 Ų91.473%0.72950%0.504SS*.Hα-helixtrans-65.2-47.4173.8-65.1170.2-17500112T836 L840 Q841 E842T836-E838 PolarHBondContact O-N 3.44Å; E838-L840 VanDerWaalsContact C-N 3.34Å; E838-L840 PolarHBondContact O-N 3.44Å; E838-Q841 PolarHBondContact O-N 2.96Å; E838-Q841 VanDerWaalsContact O-N 3.12Å; E838-E842 WeakPolarHBondContact O-CB 3.45Å; E838-E842 PolarHBondContact O-N 2.86Å
839Q77.1Confident67.5Low91 Ų9187.4 Ų87.443%0.42548%0.478SS..Hα-helixtrans-61.2-39.2176-76.1163.9-36.400112.8I835 T836 Q841 V843I835-Q839 HydrophobicContact CG2-CB 4.21Å; T836-Q839 PolarHBondContact O-N 2.69Å; T836-Q839 WeakPolarHBondContact OG1-CG 3.37Å; T836-Q839 PolarHBondContact OG1-N 2.85Å; T836-Q839 PolarHBondContact OG1-OE1 2.92Å; Q839-Q841 VanDerWaalsContact C-N 3.35Å; Q839-V843 WeakPolarHBondContact O-CG2 3.3Å; Q839-V843 PolarHBondContact O-N 2.94Å; Q839-V843 VanDerWaalsContact O-N 3.09Å
840L78.9Confident69.9Low6 Ų688 Ų883%0.03148%0.48CS..Hα-helixtrans-63.4-43.3174178.758.3000110.8I835 T836 E838 L844 L862 W865 K872 M876I835-L840 HydrophobicContact CG2-CB 4.29Å; T836-L840 PolarHBondContact O-N 3.29Å; E838-L840 VanDerWaalsContact C-N 3.34Å; E838-L840 PolarHBondContact O-N 3.44Å; L840-L844 HydrophobicContact CD1-CD1 4.24Å; L840-L844 HydrophobicContact CD1-CG 4.38Å; L840-L844 HydrophobicContact CG-CD1 4.05Å; L840-L844 WeakPolarHBondContact O-CB 3.34Å; L840-L844 WeakPolarHBondContact O-CD1 3.15Å; L840-L844 WeakPolarHBondContact O-CG 3.4Å; L840-L844 PolarHBondContact O-N 3.08Å; L840-L862 HydrophobicContact CD1-CD2 4.13Å; L840-W865 HydrophobicContact CD1-CE3 3.96Å; L840-W865 HydrophobicContact CD1-CZ3 3.67Å; L840-K872 HydrophobicContact CD2-CB 4.18Å; L840-M876 HydrophobicContact CD2-SD 3.73Å; L840-M876 HydrophobicContact CG-SD 4.39Å
841Q78.9Confident72.2Confident122 Ų12285.4 Ų85.457%0.5747%0.467SS*.Hα-helixtrans-69.6-35.3179.9-166.4167.7-2.400113T837 E838 Q839 L844 L845T837-Q841 WeakPolarHBondContact O-CB 3.33Å; T837-Q841 PolarHBondContact O-N 2.91Å; E838-Q841 PolarHBondContact O-N 2.96Å; E838-Q841 VanDerWaalsContact O-N 3.12Å; Q839-Q841 VanDerWaalsContact C-N 3.35Å; Q841-L844 PolarHBondContact O-N 3.44Å; Q841-L845 WeakPolarHBondContact O-CG 3.3Å; Q841-L845 PolarHBondContact O-N 2.91Å
842E83.2Confident74.6Confident128 Ų12879.4 Ų79.460%0.59844%0.444SS*.Hα-helixtrans-62.4-50.9172.6-175.8177.8-163.700111.2E838 L844 L845 S846E838-E842 WeakPolarHBondContact O-CB 3.45Å; E838-E842 PolarHBondContact O-N 2.86Å; E842-L844 VanDerWaalsContact C-N 3.31Å; E842-L844 PolarHBondContact O-N 3.15Å; E842-L845 WeakPolarHBondContact O-CB 3.29Å; E842-L845 PolarHBondContact O-N 3.07Å; E842-L845 VanDerWaalsContact O-N 3.14Å; E842-S846 PolarHBondContact O-N 2.82Å; E842-S846 PolarHBondContact O-OG 3.34Å; E842-S846 VanDerWaalsContact O-OG 3.08Å
843V85.1Confident76.7Confident25 Ų2578 Ų7815%0.15243%0.432CS..Hα-helixtrans-63.9-36.2177.8174.40000111.7Q839 S846 T847 A858 T861 L862 W865Q839-V843 WeakPolarHBondContact O-CG2 3.3Å; Q839-V843 PolarHBondContact O-N 2.94Å; Q839-V843 VanDerWaalsContact O-N 3.09Å; V843-S846 WeakPolarHBondContact O-CB 3.42Å; V843-S846 PolarHBondContact O-N 3.09Å; V843-T847 WeakPolarHBondContact O-CG2 3.34Å; V843-T847 PolarHBondContact O-N 3.2Å; V843-A858 HydrophobicContact CG1-CB 4.22Å; V843-T861 HydrophobicContact CG1-CG2 4.43Å; V843-L862 HydrophobicContact CG1-CD2 3.74Å; V843-L862 HydrophobicContact CG1-CG 3.81Å; V843-W865 HydrophobicContact CB-CH2 4Å; V843-W865 HydrophobicContact CB-CZ3 4Å; V843-W865 HydrophobicContact CG1-CH2 4.35Å; V843-W865 HydrophobicContact CG1-CZ3 4.12Å; V843-W865 HydrophobicContact CG2-CH2 3.65Å; V843-W865 HydrophobicContact CG2-CZ2 4.48Å; V843-W865 HydrophobicContact CG2-CZ3 4.17Å
844L84Confident78.6Confident22 Ų2277.4 Ų77.412%0.11542%0.416CS..Hα-helixtrans-62-42.6173.2-73.7167000112L840 Q841 E842 S846 T847 L862 M876 L880 I883L840-L844 HydrophobicContact CD1-CD1 4.24Å; L840-L844 HydrophobicContact CD1-CG 4.38Å; L840-L844 HydrophobicContact CG-CD1 4.05Å; L840-L844 WeakPolarHBondContact O-CB 3.34Å; L840-L844 WeakPolarHBondContact O-CD1 3.15Å; L840-L844 WeakPolarHBondContact O-CG 3.4Å; L840-L844 PolarHBondContact O-N 3.08Å; Q841-L844 PolarHBondContact O-N 3.44Å; E842-L844 VanDerWaalsContact C-N 3.31Å; E842-L844 PolarHBondContact O-N 3.15Å; L844-S846 VanDerWaalsContact C-N 3.34Å; L844-T847 PolarHBondContact O-N 2.98Å; L844-T847 PolarHBondContact O-OG1 2.89Å; L844-L862 HydrophobicContact CD2-CD1 4.14Å; L844-L862 HydrophobicContact CD2-CD2 4.36Å; L844-M876 HydrophobicContact CD1-CE 3.53Å; L844-M876 HydrophobicContact CD1-SD 4.23Å; L844-L880 HydrophobicContact CD2-CD2 3.74Å; L844-I883 HydrophobicContact CD2-CD1 3.45Å; L844-I883 VanDerWaalsContact CD2-CD1 3.45Å
845L84.3Confident80.1Confident126 Ų12674 Ų7466%0.6639%0.386SS*.Hα-helixtrans-63.6-39.7173.8-71.1166.6000111.5Q841 E842 T847 Y848Q841-L845 WeakPolarHBondContact O-CG 3.3Å; Q841-L845 PolarHBondContact O-N 2.91Å; E842-L845 WeakPolarHBondContact O-CB 3.29Å; E842-L845 PolarHBondContact O-N 3.07Å; E842-L845 VanDerWaalsContact O-N 3.14Å; L845-T847 PolarHBondContact O-N 3.01Å; L845-T847 VanDerWaalsContact O-N 3.15Å; L845-Y848 PolarHBondContact O-N 3.25Å; L845-Y848 VanDerWaalsContact O-N 3.07Å
846S86.1Confident81Confident33 Ų3373 Ų7323%0.23138%0.382CS..Hα-helixtrans-62.6-16.5175.7-54.40000114.3E842 V843 L844 Y848 D849E842-S846 PolarHBondContact O-N 2.82Å; E842-S846 PolarHBondContact O-OG 3.34Å; E842-S846 VanDerWaalsContact O-OG 3.08Å; V843-S846 WeakPolarHBondContact O-CB 3.42Å; V843-S846 PolarHBondContact O-N 3.09Å; L844-S846 VanDerWaalsContact C-N 3.34Å; S846-Y848 PolarHBondContact O-N 3.5Å; S846-D849 WeakPolarHBondContact O-CB 3.45Å; S846-D849 PolarHBondContact O-N 2.88Å
847T85.9Confident81.6Confident0 Ų072.5 Ų72.50%038%0.384CS..THydrogen-bonded Turntrans-70.3-8172.268.50000114.3V843 L844 L845 R855 A858 L859 L862 I883 N887V843-T847 WeakPolarHBondContact O-CG2 3.34Å; V843-T847 PolarHBondContact O-N 3.2Å; L844-T847 PolarHBondContact O-N 2.98Å; L844-T847 PolarHBondContact O-OG1 2.89Å; L845-T847 PolarHBondContact O-N 3.01Å; L845-T847 VanDerWaalsContact O-N 3.15Å; T847-R855 WeakPolarHBondContact O-CD 3.17Å; T847-R855 WeakPolarHBondContact O-CG 3.43Å; T847-R855 PolarHBondContact O-NE 2.96Å; T847-A858 HydrophobicContact CG2-CB 4.05Å; T847-L859 HydrophobicContact CG2-CD2 3.82Å; T847-L859 HydrophobicContact CG2-CG 4.41Å; T847-L862 HydrophobicContact CG2-CD1 3.51Å; T847-I883 HydrophobicContact CG2-CG2 4.09Å; T847-I883 WeakPolarHBondContact OG1-CG2 3.48Å; T847-N887 PolarHBondContact O-OD1 3.27Å
848Y86.8Confident82.4Confident116 Ų11668.4 Ų68.446%0.45536%0.36SS..THydrogen-bonded Turntrans-11615173.3-60.1-86.9000112.4L845 S846 I883 E886L845-Y848 PolarHBondContact O-N 3.25Å; L845-Y848 VanDerWaalsContact O-N 3.07Å; S846-Y848 PolarHBondContact O-N 3.5Å; Y848-I883 HydrophobicContact CE2-CG1 4.45Å; Y848-E886 PolarHBondContact OH-OE2 3.26Å
849D86Confident83.2Confident48 Ų4861 Ų6126%0.25733%0.325SS..  trans-62.9136.3177.4-165.7-74.7000111.1S846 Q851 T854S846-D849 WeakPolarHBondContact O-CB 3.45Å; S846-D849 PolarHBondContact O-N 2.88Å; D849-Q851 PolarHBondContact O-N 3.08Å; D849-Q851 WeakPolarHBondContact OD1-CA 3.45Å; D849-Q851 VanDerWaalsContact OD1-CB 3.23Å; D849-Q851 WeakPolarHBondContact OD1-CB 3.38Å; D849-Q851 PolarHBondContact OD1-N 3.44Å; D849-T854 HydrophobicContact CB-CG2 4.06Å
850P82.4Confident83.7Confident127 Ų12762.8 Ų62.883%0.82533%0.328SS*.SBendtrans-66.1-18.3178.627.5-36.3000113.6I852P850-I852 PolarHBondContact O-N 3.28Å
851Q82.8Confident83.9Confident125 Ų12564 Ų6458%0.58434%0.336SS*.SBendtrans-83.8108.9173.8-58.5-171.5-5.900110.5D849 P853 T854 R855D849-Q851 PolarHBondContact O-N 3.08Å; D849-Q851 WeakPolarHBondContact OD1-CA 3.45Å; D849-Q851 VanDerWaalsContact OD1-CB 3.23Å; D849-Q851 WeakPolarHBondContact OD1-CB 3.38Å; D849-Q851 PolarHBondContact OD1-N 3.44Å; Q851-P853 VanDerWaalsContact C-CD 3.41Å; Q851-P853 VanDerWaalsContact C-N 3.31Å; Q851-P853 VanDerWaalsContact O-N 3.16Å; Q851-T854 WeakPolarHBondContact O-CB 3.4Å; Q851-T854 PolarHBondContact O-N 3.34Å; Q851-T854 PolarHBondContact OE1-OG1 2.94Å; Q851-R855 PolarHBondContact O-N 3.12Å
852I84.1Confident84.3Confident67 Ų6758.3 Ų58.334%0.34431%0.309SS..Hα-helixtrans-42.9-46.7175.7-68170000113.5P850 R855 A856 D892 V895P850-I852 PolarHBondContact O-N 3.28Å; I852-R855 PolarHBondContact O-N 2.65Å; I852-A856 WeakPolarHBondContact O-CB 3.43Å; I852-A856 PolarHBondContact O-N 3.38Å; I852-D892 HydrophobicContact CD1-CB 4.07Å; I852-D892 HydrophobicContact CG1-CB 4.45Å; I852-D892 HydrophobicContact CG2-CB 4.12Å; I852-D892 VanDerWaalsContact CG2-OD1 3.28Å; I852-D892 WeakPolarHBondContact CG2-OD1 3.32Å; I852-V895 HydrophobicContact CG2-CG2 4.08Å
853P78.6Confident84.5Confident95 Ų9552.6 Ų52.662%0.61728%0.283SS*.Hα-helixtrans-66.3-40-179.8-21.234.8000113.2Q851 A856 A857Q851-P853 VanDerWaalsContact C-CD 3.41Å; Q851-P853 VanDerWaalsContact C-N 3.31Å; Q851-P853 VanDerWaalsContact O-N 3.16Å; P853-A856 PolarHBondContact O-N 3.18Å; P853-A857 VanDerWaalsContact O-CB 3.25Å; P853-A857 WeakPolarHBondContact O-CB 3.37Å; P853-A857 PolarHBondContact O-N 3.38Å
854T82.1Confident84.6Confident48 Ų4856.9 Ų56.929%0.29430%0.296SS..Hα-helixtrans-64.9-46178.1-51.90000110.3D849 Q851 A857 A858D849-T854 HydrophobicContact CB-CG2 4.06Å; Q851-T854 WeakPolarHBondContact O-CB 3.4Å; Q851-T854 PolarHBondContact O-N 3.34Å; Q851-T854 PolarHBondContact OE1-OG1 2.94Å; T854-A857 PolarHBondContact O-N 3.45Å; T854-A858 WeakPolarHBondContact O-CB 3.31Å; T854-A858 PolarHBondContact O-N 2.92Å
855R85.8Confident84.7Confident40 Ų4057.1 Ų57.115%0.15130%0.296CS..Hα-helixtrans-59.5-48.3175.2-176.7167.5-177.9174.63.2112.5T847 Q851 I852 A857 A858 L859 N887 H890 V895T847-R855 WeakPolarHBondContact O-CD 3.17Å; T847-R855 WeakPolarHBondContact O-CG 3.43Å; T847-R855 PolarHBondContact O-NE 2.96Å; Q851-R855 PolarHBondContact O-N 3.12Å; I852-R855 PolarHBondContact O-N 2.65Å; R855-A857 PolarHBondContact O-N 3.43Å; R855-A858 PolarHBondContact O-N 2.96Å; R855-L859 WeakPolarHBondContact O-CG 3.25Å; R855-L859 PolarHBondContact O-N 3.23Å; R855-L859 VanDerWaalsContact O-N 3.09Å; R855-N887 PolarHBondContact NE-OD1 3.43Å; R855-N887 PolarHBondContact NH2-OD1 3.12Å; R855-H890 PolarHBondContact NH1-CD2 3.19Å; R855-H890 VanDerWaalsContact NH1-CD2 3.34Å; R855-H890 PolarHBondContact NH1-NE2 3.05Å; R855-V895 HydrophobicContact CG-CG1 4.29Å; R855-V895 HydrophobicContact CG-CG2 4.28Å
856A79.6Confident84.8Confident5 Ų551.2 Ų51.24%0.04127%0.265CS..Hα-helixtrans-65.2-37.6176.500000112.5I852 P853 L859 R860 F894 V895I852-A856 WeakPolarHBondContact O-CB 3.43Å; I852-A856 PolarHBondContact O-N 3.38Å; P853-A856 PolarHBondContact O-N 3.18Å; A856-L859 PolarHBondContact O-N 3.32Å; A856-R860 WeakPolarHBondContact O-CB 3.5Å; A856-R860 VanDerWaalsContact O-CG 3.26Å; A856-R860 WeakPolarHBondContact O-CG 3.38Å; A856-R860 PolarHBondContact O-N 2.99Å; A856-F894 HydrophobicContact CB-CB 4.15Å; A856-V895 HydrophobicContact CB-CG2 4.49Å
857A82.4Confident84.7Confident51 Ų5155.7 Ų55.742%0.42128%0.282SS..Hα-helixtrans-66.3-37.1175.300000112.6P853 T854 R855 T861P853-A857 VanDerWaalsContact O-CB 3.25Å; P853-A857 WeakPolarHBondContact O-CB 3.37Å; P853-A857 PolarHBondContact O-N 3.38Å; T854-A857 PolarHBondContact O-N 3.45Å; R855-A857 PolarHBondContact O-N 3.43Å; A857-T861 WeakPolarHBondContact O-CB 3.22Å; A857-T861 PolarHBondContact O-N 3.47Å; A857-T861 PolarHBondContact O-OG1 2.91Å
858A85.6Confident84.7Confident6 Ų661.3 Ų61.35%0.0531%0.309CS..Hα-helixtrans-62.9-50.7173.600000111.3V843 T847 T854 R855 R860 T861 L862V843-A858 HydrophobicContact CG1-CB 4.22Å; T847-A858 HydrophobicContact CG2-CB 4.05Å; T854-A858 WeakPolarHBondContact O-CB 3.31Å; T854-A858 PolarHBondContact O-N 2.92Å; R855-A858 PolarHBondContact O-N 2.96Å; A858-R860 VanDerWaalsContact C-N 3.32Å; A858-R860 PolarHBondContact O-N 3.38Å; A858-T861 WeakPolarHBondContact O-CB 3.23Å; A858-T861 PolarHBondContact O-N 3.25Å; A858-L862 PolarHBondContact O-N 3.37Å
859L88.4Confident84.4Confident0 Ų062.9 Ų62.90%031%0.314CS..Hα-helixtrans-57.9-41.9176.7-66.3172.9000112.5T847 R855 A856 T861 L862 S863 I883 F884 N887 V895 A899T847-L859 HydrophobicContact CG2-CD2 3.82Å; T847-L859 HydrophobicContact CG2-CG 4.41Å; R855-L859 WeakPolarHBondContact O-CG 3.25Å; R855-L859 PolarHBondContact O-N 3.23Å; R855-L859 VanDerWaalsContact O-N 3.09Å; A856-L859 PolarHBondContact O-N 3.32Å; L859-T861 VanDerWaalsContact C-N 3.32Å; L859-T861 PolarHBondContact O-N 2.87Å; L859-L862 PolarHBondContact O-N 2.84Å; L859-S863 WeakPolarHBondContact O-CB 3.34Å; L859-S863 PolarHBondContact O-N 3.26Å; L859-S863 PolarHBondContact O-OG 3.22Å; L859-I883 HydrophobicContact CD2-CG2 4.29Å; L859-F884 HydrophobicContact CB-CE1 4.32Å; L859-F884 HydrophobicContact CD2-CD1 3.84Å; L859-F884 HydrophobicContact CD2-CE1 3.84Å; L859-N887 HydrophobicContact CD1-CB 3.92Å; L859-N887 HydrophobicContact CD2-CB 4.27Å; L859-V895 HydrophobicContact CD1-CG1 3.86Å; L859-A899 HydrophobicContact CD1-CB 4.41Å
860R86.2Confident84.3Confident128 Ų12862.7 Ų62.748%0.48331%0.311SS..Hα-helixtrans-66.8-31.3175.3-71.6171.6-176.8-165-3.6113.1A856 A858 R864 S898A856-R860 WeakPolarHBondContact O-CB 3.5Å; A856-R860 VanDerWaalsContact O-CG 3.26Å; A856-R860 WeakPolarHBondContact O-CG 3.38Å; A856-R860 PolarHBondContact O-N 2.99Å; A858-R860 VanDerWaalsContact C-N 3.32Å; A858-R860 PolarHBondContact O-N 3.38Å; R860-R864 PolarHBondContact O-N 3Å; R860-S898 PolarHBondContact NE-OG 3.45Å
861T84.7Confident84.1Confident33 Ų3359.8 Ų59.820%0.20230%0.298CS..Hα-helixtrans-72.1-43.6176.3-600000110.8V843 A857 A858 L859 S863 R864 W865V843-T861 HydrophobicContact CG1-CG2 4.43Å; A857-T861 WeakPolarHBondContact O-CB 3.22Å; A857-T861 PolarHBondContact O-N 3.47Å; A857-T861 PolarHBondContact O-OG1 2.91Å; A858-T861 WeakPolarHBondContact O-CB 3.23Å; A858-T861 PolarHBondContact O-N 3.25Å; L859-T861 VanDerWaalsContact C-N 3.32Å; L859-T861 PolarHBondContact O-N 2.87Å; T861-S863 VanDerWaalsContact C-N 3.32Å; T861-S863 PolarHBondContact O-N 3Å; T861-R864 PolarHBondContact O-N 3.36Å; T861-W865 HydrophobicContact CG2-CD2 4.24Å; T861-W865 HydrophobicContact CG2-CH2 4.28Å; T861-W865 HydrophobicContact CG2-CZ2 3.79Å; T861-W865 VanDerWaalsContact O-CG 3.31Å; T861-W865 PolarHBondContact O-N 3.17Å; T861-W865 VanDerWaalsContact O-N 3.07Å
862L87.3Confident83.9Confident2 Ų257.4 Ų57.41%0.0129%0.286CS..Hα-helixtrans-59.4-41.8170.3-64175.8000112L840 V843 L844 T847 A858 L859 R864 W865 I866 L880 F884L840-L862 HydrophobicContact CD1-CD2 4.13Å; V843-L862 HydrophobicContact CG1-CD2 3.74Å; V843-L862 HydrophobicContact CG1-CG 3.81Å; L844-L862 HydrophobicContact CD2-CD1 4.14Å; L844-L862 HydrophobicContact CD2-CD2 4.36Å; T847-L862 HydrophobicContact CG2-CD1 3.51Å; A858-L862 PolarHBondContact O-N 3.37Å; L859-L862 PolarHBondContact O-N 2.84Å; L862-R864 PolarHBondContact O-N 2.96Å; L862-W865 HydrophobicContact CD2-CE3 3.74Å; L862-W865 HydrophobicContact CD2-CZ3 3.87Å; L862-W865 PolarHBondContact O-N 2.83Å; L862-I866 WeakPolarHBondContact O-CG1 3.45Å; L862-I866 PolarHBondContact O-N 3.12Å; L862-L880 HydrophobicContact CD1-CD2 3.96Å; L862-L880 HydrophobicContact CD2-CD2 4.07Å; L862-L880 HydrophobicContact CG-CD2 4.43Å; L862-F884 HydrophobicContact CB-CZ 3.95Å
863S87.3Confident83.7Confident8 Ų854.2 Ų54.26%0.05627%0.27CS..Hα-helixtrans-59.5-44175.9-590000112L859 T861 W865 I866 E867 G902L859-S863 WeakPolarHBondContact O-CB 3.34Å; L859-S863 PolarHBondContact O-N 3.26Å; L859-S863 PolarHBondContact O-OG 3.22Å; T861-S863 VanDerWaalsContact C-N 3.32Å; T861-S863 PolarHBondContact O-N 3Å; S863-W865 VanDerWaalsContact C-N 3.33Å; S863-W865 PolarHBondContact O-N 3.26Å; S863-I866 PolarHBondContact O-N 3.45Å; S863-E867 WeakPolarHBondContact O-CB 3.43Å; S863-E867 PolarHBondContact O-N 3.39Å; S863-G902 WeakPolarHBondContact OG-CA 3.35Å
864R86.4Confident83.7Confident114 Ų11451.5 Ų51.543%0.4325%0.25SC..Hα-helixtrans-63.4-37.3176.6-167.4-170.5-57.6115.22.6112.4R860 T861 L862 E867 Q868R860-R864 PolarHBondContact O-N 3Å; T861-R864 PolarHBondContact O-N 3.36Å; L862-R864 PolarHBondContact O-N 2.96Å; R864-E867 PolarHBondContact O-N 3.15Å; R864-Q868 WeakPolarHBondContact O-CB 3.43Å; R864-Q868 VanDerWaalsContact O-CG 3.27Å; R864-Q868 WeakPolarHBondContact O-CG 3.37Å; R864-Q868 PolarHBondContact O-N 3Å
865W86.1Confident83.7Confident27 Ų2756.7 Ų56.710%0.10227%0.271CS..Hα-helixtrans-68.6-34.2176.6-66.7-20.6000112.9I835 L840 V843 T861 L862 S863 R869 E870 A873I835-W865 HydrophobicContact CD1-CD2 4.07Å; I835-W865 VanDerWaalsContact CD1-CE2 3.49Å; I835-W865 HydrophobicContact CD1-CG 4.3Å; I835-W865 HydrophobicContact CD1-CZ2 3.79Å; I835-W865 HydrophobicContact CG1-CZ2 4.24Å; I835-W865 HydrophobicContact CG2-CH2 4.39Å; L840-W865 HydrophobicContact CD1-CE3 3.96Å; L840-W865 HydrophobicContact CD1-CZ3 3.67Å; V843-W865 HydrophobicContact CB-CH2 4Å; V843-W865 HydrophobicContact CB-CZ3 4Å; V843-W865 HydrophobicContact CG1-CH2 4.35Å; V843-W865 HydrophobicContact CG1-CZ3 4.12Å; V843-W865 HydrophobicContact CG2-CH2 3.65Å; V843-W865 HydrophobicContact CG2-CZ2 4.48Å; V843-W865 HydrophobicContact CG2-CZ3 4.17Å; T861-W865 HydrophobicContact CG2-CD2 4.24Å; T861-W865 HydrophobicContact CG2-CH2 4.28Å; T861-W865 HydrophobicContact CG2-CZ2 3.79Å; T861-W865 VanDerWaalsContact O-CG 3.31Å; T861-W865 PolarHBondContact O-N 3.17Å; T861-W865 VanDerWaalsContact O-N 3.07Å; L862-W865 HydrophobicContact CD2-CE3 3.74Å; L862-W865 HydrophobicContact CD2-CZ3 3.87Å; L862-W865 PolarHBondContact O-N 2.83Å; S863-W865 VanDerWaalsContact C-N 3.33Å; S863-W865 PolarHBondContact O-N 3.26Å; W865-R869 PolarHBondContact O-N 3.3Å; W865-E870 HydrophobicContact CB-CG 4.41Å; W865-E870 WeakPolarHBondContact CB-OE2 3.47Å; W865-E870 VanDerWaalsContact CD1-CD 3.41Å; W865-E870 PolarHBondContact O-N 3.12Å; W865-A873 HydrophobicContact CB-CB 4.2Å
866I85.9Confident83.5Confident2 Ų257.1 Ų57.11%0.0128%0.275CS..Hα-helixtrans-67.6-46.7171.3-65.4160.2000110.5L862 S863 Q868 R869 L880 F884 L905 L906 V909L862-I866 WeakPolarHBondContact O-CG1 3.45Å; L862-I866 PolarHBondContact O-N 3.12Å; S863-I866 PolarHBondContact O-N 3.45Å; I866-Q868 VanDerWaalsContact C-N 3.3Å; I866-Q868 PolarHBondContact O-N 3.01Å; I866-R869 WeakPolarHBondContact O-CA 3.39Å; I866-R869 PolarHBondContact O-N 3.44Å; I866-L880 HydrophobicContact CD1-CD1 4.27Å; I866-L880 HydrophobicContact CG1-CD1 4.38Å; I866-F884 HydrophobicContact CD1-CE2 3.61Å; I866-F884 HydrophobicContact CD1-CZ 4Å; I866-L905 HydrophobicContact CG2-CB 4.1Å; I866-L906 HydrophobicContact CD1-CD1 4.11Å; I866-L906 HydrophobicContact CG1-CD1 4.34Å; I866-L906 HydrophobicContact CG2-CD1 4.2Å; I866-V909 HydrophobicContact CG2-CG2 4.38Å
867E84.8Confident83.6Confident128 Ų12859.5 Ų59.560%0.59829%0.285SS*.Hα-helixtrans-59.1-38.9176.4-176178.1-149.200112.1S863 R864 R869 L905S863-E867 WeakPolarHBondContact O-CB 3.43Å; S863-E867 PolarHBondContact O-N 3.39Å; R864-E867 PolarHBondContact O-N 3.15Å; E867-R869 PolarHBondContact O-N 3.12Å; E867-L905 HydrophobicContact CB-CD1 4.42Å; E867-L905 HydrophobicContact CB-CD2 4.37Å; E867-L905 HydrophobicContact CG-CD2 4.48Å
868Q84.8Confident83.6Confident118 Ų11862.7 Ų62.755%0.55129%0.292SS*.THydrogen-bonded Turntrans-78.42.9174.6-68.6176.92.800113.8R864 I866 E870R864-Q868 WeakPolarHBondContact O-CB 3.43Å; R864-Q868 VanDerWaalsContact O-CG 3.27Å; R864-Q868 WeakPolarHBondContact O-CG 3.37Å; R864-Q868 PolarHBondContact O-N 3Å; I866-Q868 VanDerWaalsContact C-N 3.3Å; I866-Q868 PolarHBondContact O-N 3.01Å; Q868-E870 VanDerWaalsContact C-N 3.27Å; Q868-E870 HydrophobicContact CB-CG 4.13Å; Q868-E870 PolarHBondContact O-N 2.72Å
869R80.8Confident83.5Confident149 Ų14968.9 Ų68.956%0.56232%0.317SS*.THydrogen-bonded Turntrans5240.8178.7-62.7-173171-143-4.5113.6W865 I866 E867 A871 L874 D908W865-R869 PolarHBondContact O-N 3.3Å; I866-R869 WeakPolarHBondContact O-CA 3.39Å; I866-R869 PolarHBondContact O-N 3.44Å; E867-R869 PolarHBondContact O-N 3.12Å; R869-A871 PolarHBondContact O-N 3.14Å; R869-L874 HydrophobicContact CB-CD1 4.29Å; R869-D908 IonicContact CZ-OD2 2.91Å; R869-D908 IonicContact NH2-OD2 3.83Å; R869-D908 PolarHBondContact NH2-OD2 3.22Å
870E83.5Confident83.4Confident43 Ų4369 Ų6920%0.20132%0.318CS..  trans-69.8119.7-178.1-65.1-177.5169.300112.2I835 W865 Q868 K872 A873 L874I835-E870 WeakPolarHBondContact CD1-OE1 3.36Å; I835-E870 WeakPolarHBondContact CD1-OE2 3.34Å; W865-E870 HydrophobicContact CB-CG 4.41Å; W865-E870 WeakPolarHBondContact CB-OE2 3.47Å; W865-E870 VanDerWaalsContact CD1-CD 3.41Å; W865-E870 PolarHBondContact O-N 3.12Å; Q868-E870 VanDerWaalsContact C-N 3.27Å; Q868-E870 HydrophobicContact CB-CG 4.13Å; Q868-E870 PolarHBondContact O-N 2.72Å; E870-K872 VanDerWaalsContact C-N 3.29Å; E870-K872 PolarHBondContact O-N 2.9Å; E870-K872 VanDerWaalsContact O-N 3.09Å; E870-A873 HydrophobicContact CB-CB 4.41Å; E870-A873 PolarHBondContact O-N 3.43Å; E870-L874 PolarHBondContact O-N 3.41Å; E870-L874 VanDerWaalsContact O-N 3.12Å
871A79.2Confident83.4Confident67 Ų6764 Ų6455%0.55430%0.3SS*.Hα-helixtrans-49.8-43.3-172.300000114.3R869 A873 L874 E875R869-A871 PolarHBondContact O-N 3.14Å; A871-A873 PolarHBondContact O-N 3.46Å; A871-L874 PolarHBondContact O-N 3.12Å; A871-E875 WeakPolarHBondContact O-CG 3.41Å; A871-E875 PolarHBondContact O-N 2.96Å
872K79.1Confident83.5Confident74 Ų7468.3 Ų68.332%0.32232%0.317SS..Hα-helixtrans-68.3-31.7-179.2-66.8-172.5177.1-174.10114I835 T837 L840 E870I835-K872 WeakPolarHBondContact O-CD 3.42Å; I835-K872 WeakPolarHBondContact O-CE 3.4Å; I835-K872 PolarHBondContact O-NZ 3.14Å; T837-K872 PolarHBondContact OG1-NZ 3.03Å; L840-K872 HydrophobicContact CD2-CB 4.18Å; E870-K872 VanDerWaalsContact C-N 3.29Å; E870-K872 PolarHBondContact O-N 2.9Å; E870-K872 VanDerWaalsContact O-N 3.09Å
873A78.8Confident83.5Confident1 Ų169.1 Ų69.11%0.00832%0.32CS..Hα-helixtrans-71.2-43.8173.500000109.7W865 E870 A871 E875 M876 Q877 L880W865-A873 HydrophobicContact CB-CB 4.2Å; E870-A873 HydrophobicContact CB-CB 4.41Å; E870-A873 PolarHBondContact O-N 3.43Å; A871-A873 PolarHBondContact O-N 3.46Å; A873-E875 PolarHBondContact O-N 2.91Å; A873-M876 CarbonylContact O-C 3.59Å; A873-M876 PolarHBondContact O-N 3.49Å; A873-Q877 PolarHBondContact O-N 3.31Å; A873-L880 HydrophobicContact CB-CD1 4.27Å; A873-L880 WeakPolarHBondContact O-CD1 3.33Å
874L80.1Confident83.6Confident37 Ų3768.7 Ų68.719%0.19432%0.318CS..Hα-helixtrans-65.7-35.3179.5-59.5-175.4000113.1R869 E870 A871 M876 Q877 V909R869-L874 HydrophobicContact CB-CD1 4.29Å; E870-L874 PolarHBondContact O-N 3.41Å; E870-L874 VanDerWaalsContact O-N 3.12Å; A871-L874 PolarHBondContact O-N 3.12Å; L874-M876 PolarHBondContact O-N 3.3Å; L874-M876 VanDerWaalsContact O-N 3.14Å; L874-Q877 VanDerWaalsContact O-CB 3.3Å; L874-Q877 WeakPolarHBondContact O-CB 3.47Å; L874-Q877 VanDerWaalsContact O-CG 3.29Å; L874-Q877 WeakPolarHBondContact O-CG 3.47Å; L874-Q877 PolarHBondContact O-N 2.93Å; L874-Q877 VanDerWaalsContact O-N 3.11Å; L874-V909 HydrophobicContact CD1-CG1 4.39Å; L874-V909 HydrophobicContact CD2-CG1 4.08Å; L874-V909 HydrophobicContact CD2-CG2 4.2Å
875E81.4Confident83.7Confident157 Ų15765.1 Ų65.173%0.73431%0.307SS*.THydrogen-bonded Turntrans-56.5-26.3170.4-79.1173.5-164.100113.1A871 A873A871-E875 WeakPolarHBondContact O-CG 3.41Å; A871-E875 PolarHBondContact O-N 2.96Å; A873-E875 PolarHBondContact O-N 2.91Å
876M80.8Confident83.7Confident50 Ų5067.3 Ų67.325%0.24632%0.318CS..THydrogen-bonded Turntrans-103.415180-66.5-173.162.800113.7L840 L844 A873 L874 E878 K879 L880L840-M876 HydrophobicContact CD2-SD 3.73Å; L840-M876 HydrophobicContact CG-SD 4.39Å; L844-M876 HydrophobicContact CD1-CE 3.53Å; L844-M876 HydrophobicContact CD1-SD 4.23Å; A873-M876 CarbonylContact O-C 3.59Å; A873-M876 PolarHBondContact O-N 3.49Å; L874-M876 PolarHBondContact O-N 3.3Å; L874-M876 VanDerWaalsContact O-N 3.14Å; M876-E878 VanDerWaalsContact C-N 3.32Å; M876-E878 PolarHBondContact O-N 3.43Å; M876-E878 VanDerWaalsContact O-N 3.12Å; M876-K879 HydrophobicContact CE-CD 3.71Å; M876-K879 WeakPolarHBondContact O-CA 3.43Å; M876-K879 WeakPolarHBondContact O-CB 3.47Å; M876-K879 PolarHBondContact O-N 3.45Å; M876-L880 PolarHBondContact O-N 3.25Å
877Q81.3Confident83.8Confident54 Ų5467.2 Ų67.225%0.25232%0.318SS..Hα-helixtrans-48.4-42.4-173.459.9-176.9-2.700115.4A873 L874 K879 L880 L881 L906A873-Q877 PolarHBondContact O-N 3.31Å; L874-Q877 VanDerWaalsContact O-CB 3.3Å; L874-Q877 WeakPolarHBondContact O-CB 3.47Å; L874-Q877 VanDerWaalsContact O-CG 3.29Å; L874-Q877 WeakPolarHBondContact O-CG 3.47Å; L874-Q877 PolarHBondContact O-N 2.93Å; L874-Q877 VanDerWaalsContact O-N 3.11Å; Q877-K879 VanDerWaalsContact C-N 3.34Å; Q877-K879 PolarHBondContact O-N 3.46Å; Q877-L880 PolarHBondContact O-N 3.49Å; Q877-L881 WeakPolarHBondContact O-CB 3.41Å; Q877-L881 PolarHBondContact O-N 3Å; Q877-L906 HydrophobicContact CB-CD1 4.06Å
878E83.3Confident83.9Confident119 Ų11961.4 Ų61.456%0.55629%0.291SS*.Hα-helixtrans-68.5-32.5180-63.3-173.8161.300112.4M876 K882 K913M876-E878 VanDerWaalsContact C-N 3.32Å; M876-E878 PolarHBondContact O-N 3.43Å; M876-E878 VanDerWaalsContact O-N 3.12Å; E878-K882 PolarHBondContact O-N 3.4Å; E878-K913 IonicContact OE1-NZ 2.67Å; E878-K913 PolarHBondContact OE1-NZ 3.02Å
879K83.8Confident83.8Confident136 Ų13660.9 Ų60.959%0.59129%0.288SS*.Hα-helixtrans-74.4-40.6173.9-67.4173.8177.8174.50111.1M876 Q877 K882 I883M876-K879 HydrophobicContact CE-CD 3.71Å; M876-K879 WeakPolarHBondContact O-CA 3.43Å; M876-K879 WeakPolarHBondContact O-CB 3.47Å; M876-K879 PolarHBondContact O-N 3.45Å; Q877-K879 VanDerWaalsContact C-N 3.34Å; Q877-K879 PolarHBondContact O-N 3.46Å; K879-K882 PolarHBondContact O-N 2.66Å; K879-I883 VanDerWaalsContact O-CG1 3.3Å; K879-I883 WeakPolarHBondContact O-CG1 3.44Å; K879-I883 PolarHBondContact O-N 3.01Å
880L86.6Confident84.1Confident1 Ų156 Ų561%0.00527%0.272CS..Hα-helixtrans-62.2-45.5175.7-69.5174.6000111.4L844 L862 I866 A873 M876 Q877 K882 I883 F884L844-L880 HydrophobicContact CD2-CD2 3.74Å; L862-L880 HydrophobicContact CD1-CD2 3.96Å; L862-L880 HydrophobicContact CD2-CD2 4.07Å; L862-L880 HydrophobicContact CG-CD2 4.43Å; I866-L880 HydrophobicContact CD1-CD1 4.27Å; I866-L880 HydrophobicContact CG1-CD1 4.38Å; A873-L880 HydrophobicContact CB-CD1 4.27Å; A873-L880 WeakPolarHBondContact O-CD1 3.33Å; M876-L880 PolarHBondContact O-N 3.25Å; Q877-L880 PolarHBondContact O-N 3.49Å; L880-K882 VanDerWaalsContact C-N 3.32Å; L880-K882 PolarHBondContact O-N 3.37Å; L880-I883 PolarHBondContact O-N 2.84Å; L880-F884 HydrophobicContact CB-CD2 4.48Å; L880-F884 HydrophobicContact CB-CE2 4.22Å; L880-F884 WeakPolarHBondContact O-CD2 3.48Å; L880-F884 PolarHBondContact O-N 2.86Å
881L86.3Confident84Confident23 Ų2361.5 Ų61.512%0.1230%0.298CS..Hα-helixtrans-54-49.4173.9-18065000111Q877 I883 F884 L885 V903 L906 I914Q877-L881 WeakPolarHBondContact O-CB 3.41Å; Q877-L881 PolarHBondContact O-N 3Å; L881-I883 PolarHBondContact O-N 2.71Å; L881-F884 PolarHBondContact O-N 3.21Å; L881-L885 HydrophobicContact CD1-CD1 4.22Å; L881-L885 HydrophobicContact CD1-CG 4.34Å; L881-L885 HydrophobicContact CG-CD1 4.02Å; L881-L885 HydrophobicContact CG-CG 4.5Å; L881-L885 WeakPolarHBondContact O-CG 3.44Å; L881-L885 PolarHBondContact O-N 3.14Å; L881-V903 HydrophobicContact CD1-CG1 4.24Å; L881-L906 HydrophobicContact CB-CD2 3.75Å; L881-L906 HydrophobicContact CD1-CD2 4.25Å; L881-I914 HydrophobicContact CD1-CD1 4.27Å; L881-I914 HydrophobicContact CD1-CG1 4.1Å; L881-I914 HydrophobicContact CD1-CG2 4.05Å; L881-I914 HydrophobicContact CD2-CG1 3.95Å
882K86.1Confident84.3Confident125 Ų12560.3 Ų60.354%0.54328%0.282SS..Hα-helixtrans-61.2-43.8179.5-161.4179.5-173.6-95.20112.2E878 K879 L880 L885 E886E878-K882 PolarHBondContact O-N 3.4Å; K879-K882 PolarHBondContact O-N 2.66Å; L880-K882 VanDerWaalsContact C-N 3.32Å; L880-K882 PolarHBondContact O-N 3.37Å; K882-L885 PolarHBondContact O-N 2.91Å; K882-E886 IonicContact NZ-OE1 3.85Å; K882-E886 PolarHBondContact NZ-OE1 2.89Å; K882-E886 WeakPolarHBondContact O-CB 3.41Å; K882-E886 WeakPolarHBondContact O-CG 3.32Å; K882-E886 PolarHBondContact O-N 3.33Å
883I87.9Confident84.5Confident18 Ų1859.9 Ų59.99%0.09229%0.286CS..Hα-helixtrans-61.1-45.4175.9-69.1164.7000110.7L844 T847 Y848 L859 K879 L880 L881 E886 N887L844-I883 HydrophobicContact CD2-CD1 3.45Å; L844-I883 VanDerWaalsContact CD2-CD1 3.45Å; T847-I883 HydrophobicContact CG2-CG2 4.09Å; T847-I883 WeakPolarHBondContact OG1-CG2 3.48Å; Y848-I883 HydrophobicContact CE2-CG1 4.45Å; L859-I883 HydrophobicContact CD2-CG2 4.29Å; K879-I883 VanDerWaalsContact O-CG1 3.3Å; K879-I883 WeakPolarHBondContact O-CG1 3.44Å; K879-I883 PolarHBondContact O-N 3.01Å; L880-I883 PolarHBondContact O-N 2.84Å; L881-I883 PolarHBondContact O-N 2.71Å; I883-E886 PolarHBondContact O-N 3.4Å; I883-N887 WeakPolarHBondContact O-CB 3.41Å; I883-N887 PolarHBondContact O-N 3.49Å; I883-N887 PolarHBondContact O-ND2 3.27Å
884F89.8Confident84.8Confident0 Ų066 Ų660%031%0.312CS..Hα-helixtrans-64.7-43.3178-69-57000112.1L859 L862 I866 L880 L881 N887 M888 A899 V903L859-F884 HydrophobicContact CB-CE1 4.32Å; L859-F884 HydrophobicContact CD2-CD1 3.84Å; L859-F884 HydrophobicContact CD2-CE1 3.84Å; L862-F884 HydrophobicContact CB-CZ 3.95Å; I866-F884 HydrophobicContact CD1-CE2 3.61Å; I866-F884 HydrophobicContact CD1-CZ 4Å; L880-F884 HydrophobicContact CB-CD2 4.48Å; L880-F884 HydrophobicContact CB-CE2 4.22Å; L880-F884 WeakPolarHBondContact O-CD2 3.48Å; L880-F884 PolarHBondContact O-N 2.86Å; L881-F884 PolarHBondContact O-N 3.21Å; F884-N887 CarbonylContact O-C 3.53Å; F884-N887 PolarHBondContact O-N 3.38Å; F884-N887 VanDerWaalsContact O-N 3.08Å; F884-M888 WeakPolarHBondContact O-CG 3.43Å; F884-M888 PolarHBondContact O-N 3.26Å; F884-A899 HydrophobicContact CD1-CB 4.36Å; F884-A899 WeakPolarHBondContact O-CB 3.45Å; F884-V903 HydrophobicContact CB-CG2 3.54Å; F884-V903 HydrophobicContact CG-CG2 4.39Å
885L87.2Confident85.1Confident38 Ų3864.2 Ų64.220%0.19930%0.303CS..Hα-helixtrans-60.3-46.3175.9-68.9172.6000111.9L881 K882 N887 M888 L918L881-L885 HydrophobicContact CD1-CD1 4.22Å; L881-L885 HydrophobicContact CD1-CG 4.34Å; L881-L885 HydrophobicContact CG-CD1 4.02Å; L881-L885 HydrophobicContact CG-CG 4.5Å; L881-L885 WeakPolarHBondContact O-CG 3.44Å; L881-L885 PolarHBondContact O-N 3.14Å; K882-L885 PolarHBondContact O-N 2.91Å; L885-N887 PolarHBondContact O-N 3.42Å; L885-M888 HydrophobicContact CD2-SD 4.08Å; L885-M888 WeakPolarHBondContact O-CB 3.17Å; L885-M888 PolarHBondContact O-N 3.41Å; L885-M888 VanDerWaalsContact O-N 3.1Å; L885-L918 HydrophobicContact CD2-CD2 3.97Å
886E86.5Confident85.4Confident74 Ų7459.1 Ų59.135%0.34628%0.277SS..Hα-helixtrans-60.8-28.8174.1-72.5173.1-167.100112.7Y848 K882 I883Y848-E886 PolarHBondContact OH-OE2 3.26Å; K882-E886 IonicContact NZ-OE1 3.85Å; K882-E886 PolarHBondContact NZ-OE1 2.89Å; K882-E886 WeakPolarHBondContact O-CB 3.41Å; K882-E886 WeakPolarHBondContact O-CG 3.32Å; K882-E886 PolarHBondContact O-N 3.33Å; I883-E886 PolarHBondContact O-N 3.4Å
887N87.5Confident85.6Confident0 Ų060.2 Ų60.20%028%0.284CS..Hα-helixtrans-86.2-14.7176.5-80.9-90.8000113.9T847 R855 L859 I883 F884 L885 H890 V895 A899T847-N887 PolarHBondContact O-OD1 3.27Å; R855-N887 PolarHBondContact NE-OD1 3.43Å; R855-N887 PolarHBondContact NH2-OD1 3.12Å; L859-N887 HydrophobicContact CD1-CB 3.92Å; L859-N887 HydrophobicContact CD2-CB 4.27Å; I883-N887 WeakPolarHBondContact O-CB 3.41Å; I883-N887 PolarHBondContact O-N 3.49Å; I883-N887 PolarHBondContact O-ND2 3.27Å; F884-N887 CarbonylContact O-C 3.53Å; F884-N887 PolarHBondContact O-N 3.38Å; F884-N887 VanDerWaalsContact O-N 3.08Å; L885-N887 PolarHBondContact O-N 3.42Å; N887-H890 VanDerWaalsContact O-CB 3.3Å; N887-H890 WeakPolarHBondContact O-CB 3.22Å; N887-H890 PolarHBondContact O-N 2.99Å; N887-V895 HydrophobicContact CB-CG1 4.24Å; N887-A899 HydrophobicContact CB-CB 3.82Å
888M86.8Confident85.8Confident5 Ų557.9 Ų57.93%0.02527%0.273CS..Hα-helixtrans-72-33.4173-76.2175.254.100112.2F884 L885 H890 Y896 A899 I900 V903 K936 V937 V940F884-M888 WeakPolarHBondContact O-CG 3.43Å; F884-M888 PolarHBondContact O-N 3.26Å; L885-M888 HydrophobicContact CD2-SD 4.08Å; L885-M888 WeakPolarHBondContact O-CB 3.17Å; L885-M888 PolarHBondContact O-N 3.41Å; L885-M888 VanDerWaalsContact O-N 3.1Å; M888-H890 PolarHBondContact O-N 3.1Å; M888-Y896 WeakPolarHBondContact O-CB 3.24Å; M888-A899 HydrophobicContact CG-CB 3.83Å; M888-I900 HydrophobicContact CE-CG1 4.2Å; M888-I900 HydrophobicContact CG-CG1 4.11Å; M888-I900 HydrophobicContact SD-CG1 4.34Å; M888-V903 HydrophobicContact SD-CG2 3.9Å; M888-K936 HydrophobicContact CE-CB 4.27Å; M888-K936 VanDerWaalsContact O-CD 3.26Å; M888-K936 WeakPolarHBondContact O-CD 3.48Å; M888-K936 PolarHBondContact O-NZ 3.46Å; M888-V937 HydrophobicContact CE-CG2 3.92Å; M888-V940 HydrophobicContact CE-CG2 3.55Å; M888-V940 HydrophobicContact SD-CG2 3.86Å
889E83.5Confident86.1Confident108 Ų10852.2 Ų52.251%0.50525%0.247SC..THydrogen-bonded Turntrans-71.3-4.7176.7-61.7-167.3148.300113.2H929 T933E889-H929 IonicContact OE1-ND1 2.72Å; E889-T933 HydrophobicContact CG-CG2 4.29Å
890H87.1Confident86.4Confident46 Ų4645.8 Ų45.821%0.21322%0.219CC..  trans-66.2145.1176.9-160.2-95.2000112.5R855 N887 M888 D892 V895 Y896 K936R855-H890 PolarHBondContact NH1-CD2 3.19Å; R855-H890 VanDerWaalsContact NH1-CD2 3.34Å; R855-H890 PolarHBondContact NH1-NE2 3.05Å; N887-H890 VanDerWaalsContact O-CB 3.3Å; N887-H890 WeakPolarHBondContact O-CB 3.22Å; N887-H890 PolarHBondContact O-N 2.99Å; M888-H890 PolarHBondContact O-N 3.1Å; H890-D892 WeakPolarHBondContact ND1-CB 3.38Å; H890-D892 PolarHBondContact ND1-N 3.04Å; H890-D892 VanDerWaalsContact ND1-N 3.13Å; H890-V895 HydrophobicContact CB-CB 4.23Å; H890-V895 HydrophobicContact CB-CG1 3.8Å; H890-Y896 WeakPolarHBondContact O-CD1 3.42Å; H890-K936 PolarHBondContact O-NZ 3.25Å
891E81.9Confident86.3Confident159 Ų15949.7 Ų49.774%0.74324%0.237SC*.SBendtrans-67.1-43.6178.6-62.7-63.5153.100112.3T893E891-T893 PolarHBondContact O-N 3.33Å
892D85.4Confident86.4Confident41 Ų4148.6 Ų48.622%0.21923%0.231CC..  trans-70.8128.8-174.8-178.6-87.2000113.9I852 H890 F894 V895 Y896I852-D892 HydrophobicContact CD1-CB 4.07Å; I852-D892 HydrophobicContact CG1-CB 4.45Å; I852-D892 HydrophobicContact CG2-CB 4.12Å; I852-D892 VanDerWaalsContact CG2-OD1 3.28Å; I852-D892 WeakPolarHBondContact CG2-OD1 3.32Å; H890-D892 WeakPolarHBondContact ND1-CB 3.38Å; H890-D892 PolarHBondContact ND1-N 3.04Å; H890-D892 VanDerWaalsContact ND1-N 3.13Å; D892-F894 PolarHBondContact O-N 3.19Å; D892-F894 WeakPolarHBondContact OD1-CA 3.3Å; D892-F894 VanDerWaalsContact OD1-CB 3.3Å; D892-F894 WeakPolarHBondContact OD1-CB 3.46Å; D892-F894 PolarHBondContact OD1-N 3.46Å; D892-V895 HydrophobicContact CB-CG2 4.26Å; D892-V895 PolarHBondContact O-N 3.31Å; D892-V895 VanDerWaalsContact O-N 3.16Å; D892-V895 PolarHBondContact OD1-N 3.4Å; D892-V895 VanDerWaalsContact OD1-N 3.16Å; D892-Y896 WeakPolarHBondContact O-CD1 3.41Å; D892-Y896 PolarHBondContact O-N 3.19Å
893T83.8Confident86.5Confident66 Ų6642.6 Ų42.641%0.40521%0.205SC..Hα-helixtrans-61.2-34.7-178.7-54.60000114.8E891 V895 Y896 L897E891-T893 PolarHBondContact O-N 3.33Å; T893-V895 VanDerWaalsContact C-N 3.33Å; T893-Y896 HydrophobicContact CG2-CE1 4.43Å; T893-Y896 HydrophobicContact CG2-CE2 4.42Å; T893-Y896 PolarHBondContact OG1-OH 3.31Å; T893-L897 HydrophobicContact CG2-CD1 3.48Å; T893-L897 VanDerWaalsContact CG2-CD1 3.48Å; T893-L897 HydrophobicContact CG2-CG 3.93Å; T893-L897 WeakPolarHBondContact O-CB 3.45Å; T893-L897 VanDerWaalsContact O-CG 3.24Å; T893-L897 WeakPolarHBondContact O-CG 3.48Å; T893-L897 PolarHBondContact O-N 2.56Å
894F83.3Confident86.5Confident128 Ų12842 Ų4256%0.56120%0.203SC*.Hα-helixtrans-70.4-33.2176.8-64.7-82.4000111.8A856 D892 S898A856-F894 HydrophobicContact CB-CB 4.15Å; D892-F894 PolarHBondContact O-N 3.19Å; D892-F894 WeakPolarHBondContact OD1-CA 3.3Å; D892-F894 VanDerWaalsContact OD1-CB 3.3Å; D892-F894 WeakPolarHBondContact OD1-CB 3.46Å; D892-F894 PolarHBondContact OD1-N 3.46Å; F894-S898 VanDerWaalsContact O-CB 3.26Å; F894-S898 WeakPolarHBondContact O-CB 3.42Å; F894-S898 PolarHBondContact O-N 3.27Å; F894-S898 PolarHBondContact O-OG 3.44Å
895V86.3Confident86.3Confident0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-72.4-57.7175.5-1790000110.4I852 R855 A856 L859 N887 H890 D892 T893 L897 S898 A899I852-V895 HydrophobicContact CG2-CG2 4.08Å; R855-V895 HydrophobicContact CG-CG1 4.29Å; R855-V895 HydrophobicContact CG-CG2 4.28Å; A856-V895 HydrophobicContact CB-CG2 4.49Å; L859-V895 HydrophobicContact CD1-CG1 3.86Å; N887-V895 HydrophobicContact CB-CG1 4.24Å; H890-V895 HydrophobicContact CB-CB 4.23Å; H890-V895 HydrophobicContact CB-CG1 3.8Å; D892-V895 HydrophobicContact CB-CG2 4.26Å; D892-V895 PolarHBondContact O-N 3.31Å; D892-V895 VanDerWaalsContact O-N 3.16Å; D892-V895 PolarHBondContact OD1-N 3.4Å; D892-V895 VanDerWaalsContact OD1-N 3.16Å; T893-V895 VanDerWaalsContact C-N 3.33Å; V895-L897 PolarHBondContact O-N 3.36Å; V895-S898 PolarHBondContact O-N 3.23Å; V895-A899 PolarHBondContact O-N 3.11Å
896Y88.1Confident86.2Confident50 Ų5041.9 Ų41.920%0.19620%0.203CC..Hα-helixtrans-68.4-35-173.674.9-112.7000112.9M888 H890 D892 T893 S898 A899 I900 K936M888-Y896 WeakPolarHBondContact O-CB 3.24Å; H890-Y896 WeakPolarHBondContact O-CD1 3.42Å; D892-Y896 WeakPolarHBondContact O-CD1 3.41Å; D892-Y896 PolarHBondContact O-N 3.19Å; T893-Y896 HydrophobicContact CG2-CE1 4.43Å; T893-Y896 HydrophobicContact CG2-CE2 4.42Å; T893-Y896 PolarHBondContact OG1-OH 3.31Å; Y896-S898 VanDerWaalsContact C-N 3.34Å; Y896-S898 PolarHBondContact O-N 3.3Å; Y896-A899 WeakPolarHBondContact O-CB 3.35Å; Y896-A899 PolarHBondContact O-N 3.45Å; Y896-I900 HydrophobicContact CD2-CD1 4.03Å; Y896-I900 WeakPolarHBondContact O-CB 3.44Å; Y896-I900 VanDerWaalsContact O-CG1 3.27Å; Y896-I900 WeakPolarHBondContact O-CG1 3.34Å; Y896-I900 PolarHBondContact O-N 2.92Å; Y896-K936 HydrophobicContact CD2-CD 4.28Å; Y896-K936 HydrophobicContact CD2-CG 4.36Å; Y896-K936 HydrophobicContact CG-CD 4.3Å
897L84.6Confident86.1Confident74 Ų7438.4 Ų38.439%0.38719%0.186SC..Hα-helixtrans-66.9-35.9174.2-69.8179.7000112.2T893 V895 A899 I900 Q901T893-L897 HydrophobicContact CG2-CD1 3.48Å; T893-L897 VanDerWaalsContact CG2-CD1 3.48Å; T893-L897 HydrophobicContact CG2-CG 3.93Å; T893-L897 WeakPolarHBondContact O-CB 3.45Å; T893-L897 VanDerWaalsContact O-CG 3.24Å; T893-L897 WeakPolarHBondContact O-CG 3.48Å; T893-L897 PolarHBondContact O-N 2.56Å; V895-L897 PolarHBondContact O-N 3.36Å; L897-A899 VanDerWaalsContact C-N 3.29Å; L897-I900 HydrophobicContact CD2-CD1 4.41Å; L897-I900 PolarHBondContact O-N 2.68Å; L897-Q901 PolarHBondContact O-N 2.76Å
898S86.3Confident85.9Confident5 Ų542 Ų424%0.03521%0.205CC..Hα-helixtrans-68-33174.7-57.30000111.2R860 F894 V895 Y896 G902R860-S898 PolarHBondContact NE-OG 3.45Å; F894-S898 VanDerWaalsContact O-CB 3.26Å; F894-S898 WeakPolarHBondContact O-CB 3.42Å; F894-S898 PolarHBondContact O-N 3.27Å; F894-S898 PolarHBondContact O-OG 3.44Å; V895-S898 PolarHBondContact O-N 3.23Å; Y896-S898 VanDerWaalsContact C-N 3.34Å; Y896-S898 PolarHBondContact O-N 3.3Å; S898-G902 PolarHBondContact O-N 3.29Å; S898-G902 VanDerWaalsContact O-N 3.12Å
899A89.9Confident85.4Confident0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-69.5-45.717300000112.7L859 F884 N887 M888 V895 Y896 L897 Q901 G902 V903L859-A899 HydrophobicContact CD1-CB 4.41Å; F884-A899 HydrophobicContact CD1-CB 4.36Å; F884-A899 WeakPolarHBondContact O-CB 3.45Å; N887-A899 HydrophobicContact CB-CB 3.82Å; M888-A899 HydrophobicContact CG-CB 3.83Å; V895-A899 PolarHBondContact O-N 3.11Å; Y896-A899 WeakPolarHBondContact O-CB 3.35Å; Y896-A899 PolarHBondContact O-N 3.45Å; L897-A899 VanDerWaalsContact C-N 3.29Å; A899-Q901 VanDerWaalsContact C-N 3.29Å; A899-Q901 PolarHBondContact O-N 3.14Å; A899-G902 WeakPolarHBondContact O-CA 3.48Å; A899-G902 PolarHBondContact O-N 3.4Å; A899-V903 PolarHBondContact O-N 3.3Å
900I89Confident85.4Confident1 Ų141.9 Ų41.91%0.00521%0.205CC..Hα-helixtrans-54.6-44.7174.4-73.5176000111M888 Y896 L897 V903 A904 K936 E939 V940M888-I900 HydrophobicContact CE-CG1 4.2Å; M888-I900 HydrophobicContact CG-CG1 4.11Å; M888-I900 HydrophobicContact SD-CG1 4.34Å; Y896-I900 HydrophobicContact CD2-CD1 4.03Å; Y896-I900 WeakPolarHBondContact O-CB 3.44Å; Y896-I900 VanDerWaalsContact O-CG1 3.27Å; Y896-I900 WeakPolarHBondContact O-CG1 3.34Å; Y896-I900 PolarHBondContact O-N 2.92Å; L897-I900 HydrophobicContact CD2-CD1 4.41Å; L897-I900 PolarHBondContact O-N 2.68Å; I900-V903 PolarHBondContact O-N 2.86Å; I900-A904 WeakPolarHBondContact O-CB 3.33Å; I900-A904 PolarHBondContact O-N 3Å; I900-K936 HydrophobicContact CD1-CB 4.18Å; I900-K936 HydrophobicContact CD1-CG 4.43Å; I900-E939 HydrophobicContact CD1-CG 4.34Å; I900-V940 HydrophobicContact CB-CG2 3.98Å; I900-V940 HydrophobicContact CG1-CG2 3.7Å; I900-V940 HydrophobicContact CG2-CG2 3.79Å
901Q85.7Confident85.2Confident82 Ų8240.7 Ų40.738%0.38320%0.202SC..Hα-helixtrans-64.1-39.9175.8-174.261.827.900112.2L897 A899 A904 L905L897-Q901 PolarHBondContact O-N 2.76Å; A899-Q901 VanDerWaalsContact C-N 3.29Å; A899-Q901 PolarHBondContact O-N 3.14Å; Q901-A904 PolarHBondContact O-N 2.78Å; Q901-L905 HydrophobicContact CG-CD1 4.16Å; Q901-L905 WeakPolarHBondContact O-CG 3.17Å; Q901-L905 PolarHBondContact O-N 3.29Å
902G87.4Confident85.1Confident0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-61.6-44.7175.100000113.4S863 S898 A899 L905 L906S863-G902 WeakPolarHBondContact OG-CA 3.35Å; S898-G902 PolarHBondContact O-N 3.29Å; S898-G902 VanDerWaalsContact O-N 3.12Å; A899-G902 WeakPolarHBondContact O-CA 3.48Å; A899-G902 PolarHBondContact O-N 3.4Å; G902-L905 PolarHBondContact O-N 3.37Å; G902-L906 WeakPolarHBondContact O-CB 3.33Å; G902-L906 PolarHBondContact O-N 3.17Å
903V89.3Confident84.9Confident0 Ų040.3 Ų40.30%020%0.197CC..Hα-helixtrans-64.9-41.8176-176.40000111.4L881 F884 M888 A899 I900 L906 S907 I914 L918 V940L881-V903 HydrophobicContact CD1-CG1 4.24Å; F884-V903 HydrophobicContact CB-CG2 3.54Å; F884-V903 HydrophobicContact CG-CG2 4.39Å; M888-V903 HydrophobicContact SD-CG2 3.9Å; A899-V903 PolarHBondContact O-N 3.3Å; I900-V903 PolarHBondContact O-N 2.86Å; V903-L906 PolarHBondContact O-N 3.4Å; V903-S907 WeakPolarHBondContact O-CB 3.2Å; V903-S907 PolarHBondContact O-N 3.3Å; V903-S907 PolarHBondContact O-OG 3Å; V903-I914 HydrophobicContact CG1-CG2 4.13Å; V903-L918 HydrophobicContact CG1-CD1 3.98Å; V903-V940 HydrophobicContact CB-CG1 4.05Å; V903-V940 HydrophobicContact CG1-CG1 3.68Å
904A86.9Confident85Confident5 Ų537.4 Ų37.44%0.04118%0.179CC..Hα-helixtrans-61.3-44.8178.100000112.4I900 Q901 S907 R943I900-A904 WeakPolarHBondContact O-CB 3.33Å; I900-A904 PolarHBondContact O-N 3Å; Q901-A904 PolarHBondContact O-N 2.78Å; A904-S907 WeakPolarHBondContact O-CB 3.27Å; A904-S907 PolarHBondContact O-N 2.87Å; A904-R943 HydrophobicContact CB-CB 3.64Å
905L86Confident85.2Confident35 Ų3531.5 Ų31.518%0.18315%0.153CC..Hα-helixtrans-65.9-38.3175.5-71.9167.5000112.5I866 E867 Q901 G902 S907 D908I866-L905 HydrophobicContact CG2-CB 4.1Å; E867-L905 HydrophobicContact CB-CD1 4.42Å; E867-L905 HydrophobicContact CB-CD2 4.37Å; E867-L905 HydrophobicContact CG-CD2 4.48Å; Q901-L905 HydrophobicContact CG-CD1 4.16Å; Q901-L905 WeakPolarHBondContact O-CG 3.17Å; Q901-L905 PolarHBondContact O-N 3.29Å; G902-L905 PolarHBondContact O-N 3.37Å; L905-S907 PolarHBondContact O-N 2.85Å; L905-D908 PolarHBondContact O-N 3.39Å
906L85.8Confident85.2Confident1 Ų134.7 Ų34.71%0.00517%0.174CC..Hα-helixtrans-67.7-27.1177-165.265.7000112.4I866 Q877 L881 G902 V903 D908 V909 Y910 I914I866-L906 HydrophobicContact CD1-CD1 4.11Å; I866-L906 HydrophobicContact CG1-CD1 4.34Å; I866-L906 HydrophobicContact CG2-CD1 4.2Å; Q877-L906 HydrophobicContact CB-CD1 4.06Å; L881-L906 HydrophobicContact CB-CD2 3.75Å; L881-L906 HydrophobicContact CD1-CD2 4.25Å; G902-L906 WeakPolarHBondContact O-CB 3.33Å; G902-L906 PolarHBondContact O-N 3.17Å; V903-L906 PolarHBondContact O-N 3.4Å; L906-D908 VanDerWaalsContact C-N 3.35Å; L906-V909 PolarHBondContact O-N 3.18Å; L906-Y910 PolarHBondContact O-N 3.29Å; L906-Y910 VanDerWaalsContact O-N 3.1Å; L906-I914 HydrophobicContact CB-CD1 4.2Å; L906-I914 HydrophobicContact CD2-CD1 4.09Å; L906-I914 HydrophobicContact CG-CD1 3.82Å
907S84.4Confident85Confident1 Ų136.4 Ų36.41%0.00719%0.187CC..Hα-helixtrans-75.6-17.6178.2-55.90000114.2V903 A904 L905 V909 P911 I914 I944V903-S907 WeakPolarHBondContact O-CB 3.2Å; V903-S907 PolarHBondContact O-N 3.3Å; V903-S907 PolarHBondContact O-OG 3Å; A904-S907 WeakPolarHBondContact O-CB 3.27Å; A904-S907 PolarHBondContact O-N 2.87Å; L905-S907 PolarHBondContact O-N 2.85Å; S907-V909 VanDerWaalsContact C-N 3.31Å; S907-P911 WeakPolarHBondContact O-CB 3.43Å; S907-P911 VanDerWaalsContact O-CD 3.26Å; S907-P911 WeakPolarHBondContact O-CD 3.19Å; S907-I914 WeakPolarHBondContact OG-CG2 3.44Å; S907-I944 WeakPolarHBondContact OG-CD1 3.34Å
908D81.9Confident85.1Confident74 Ų7433 Ų3340%0.39617%0.169SC..Hα-helixtrans-68-34.4165.8176.756.9000111.1R869 L905 L906R869-D908 IonicContact CZ-OD2 2.91Å; R869-D908 IonicContact NH2-OD2 3.83Å; R869-D908 PolarHBondContact NH2-OD2 3.22Å; L905-D908 PolarHBondContact O-N 3.39Å; L906-D908 VanDerWaalsContact C-N 3.35Å
909V77.9Confident85.3Confident43 Ų4333.4 Ų33.426%0.26117%0.17SC..Hα-helixtrans-83.1-40.9-176.8-172.50000112.3I866 L874 L906 S907I866-V909 HydrophobicContact CG2-CG2 4.38Å; L874-V909 HydrophobicContact CD1-CG1 4.39Å; L874-V909 HydrophobicContact CD2-CG1 4.08Å; L874-V909 HydrophobicContact CD2-CG2 4.2Å; L906-V909 PolarHBondContact O-N 3.18Å; S907-V909 VanDerWaalsContact C-N 3.31Å
910Y82.1Confident85Confident69 Ų6936.4 Ų36.427%0.27120%0.196SC..  trans-144.569.3-177.7-165.4-130.1000114.7L906 E912 K913 I914L906-Y910 PolarHBondContact O-N 3.29Å; L906-Y910 VanDerWaalsContact O-N 3.1Å; Y910-E912 VanDerWaalsContact C-N 3.26Å; Y910-E912 HydrophobicContact CE2-CB 4.08Å; Y910-E912 PolarHBondContact O-N 3.49Å; Y910-K913 HydrophobicContact CD1-CB 4.17Å; Y910-K913 HydrophobicContact CD1-CG 4.4Å; Y910-K913 HydrophobicContact CE1-CB 3.71Å; Y910-K913 HydrophobicContact CE1-CD 3.59Å; Y910-K913 HydrophobicContact CE1-CG 3.47Å; Y910-K913 VanDerWaalsContact CE1-CG 3.47Å; Y910-K913 WeakPolarHBondContact OH-CE 3.39Å; Y910-I914 WeakPolarHBondContact O-CD1 3.38Å; Y910-I914 WeakPolarHBondContact O-CG1 3.27Å
911P82.6Confident84.8Confident21 Ų2138.7 Ų38.714%0.13621%0.206CC..Hα-helixtrans-65.6-24.4-177.424.1-31.9000114S907 K913 I914 L915 L948 Y955S907-P911 WeakPolarHBondContact O-CB 3.43Å; S907-P911 VanDerWaalsContact O-CD 3.26Å; S907-P911 WeakPolarHBondContact O-CD 3.19Å; P911-K913 PolarHBondContact O-N 2.94Å; P911-I914 PolarHBondContact O-N 3.29Å; P911-L915 WeakPolarHBondContact O-CB 3.48Å; P911-L915 PolarHBondContact O-N 2.86Å; P911-L948 HydrophobicContact CB-CD2 4.09Å; P911-L948 HydrophobicContact CG-CD2 4.12Å; P911-Y955 HydrophobicContact CB-CE2 4.24Å; P911-Y955 HydrophobicContact CG-CE2 4.4Å
912E80.8Confident84.9Confident100 Ų10034.9 Ų34.947%0.46719%0.188SC..Hα-helixtrans-65.2-31.3-169.9-67.5-172156.200114.8Y910 P916 K954 Y955Y910-E912 VanDerWaalsContact C-N 3.26Å; Y910-E912 HydrophobicContact CE2-CB 4.08Å; Y910-E912 PolarHBondContact O-N 3.49Å; E912-P916 WeakPolarHBondContact O-CD 3.34Å; E912-P916 WeakPolarHBondContact O-CG 3.34Å; E912-K954 IonicContact OE1-NZ 3.36Å; E912-K954 PolarHBondContact OE1-NZ 3.44Å; E912-Y955 VanDerWaalsContact CG-OH 3.31Å; E912-Y955 WeakPolarHBondContact CG-OH 3.49Å
913K80.9Confident84.5Confident92 Ų9237.3 Ų37.340%0.420%0.201SC..Hα-helixtrans-94.7-37.6169.8-74.8-170.8-157.9149.40112.8E878 Y910 P911 P916 D917E878-K913 IonicContact OE1-NZ 2.67Å; E878-K913 PolarHBondContact OE1-NZ 3.02Å; Y910-K913 HydrophobicContact CD1-CB 4.17Å; Y910-K913 HydrophobicContact CD1-CG 4.4Å; Y910-K913 HydrophobicContact CE1-CB 3.71Å; Y910-K913 HydrophobicContact CE1-CD 3.59Å; Y910-K913 HydrophobicContact CE1-CG 3.47Å; Y910-K913 VanDerWaalsContact CE1-CG 3.47Å; Y910-K913 WeakPolarHBondContact OH-CE 3.39Å; P911-K913 PolarHBondContact O-N 2.94Å; K913-P916 WeakPolarHBondContact O-CD 3.28Å; K913-D917 PolarHBondContact O-N 3.36Å
914I85.4Confident83.5Confident5 Ų538.4 Ų38.43%0.02621%0.209CC..Hα-helixtrans-70.1-40.7-171.2-59.6171.4000111.3L881 V903 L906 S907 Y910 P911 D917 L918L881-I914 HydrophobicContact CD1-CD1 4.27Å; L881-I914 HydrophobicContact CD1-CG1 4.1Å; L881-I914 HydrophobicContact CD1-CG2 4.05Å; L881-I914 HydrophobicContact CD2-CG1 3.95Å; V903-I914 HydrophobicContact CG1-CG2 4.13Å; L906-I914 HydrophobicContact CB-CD1 4.2Å; L906-I914 HydrophobicContact CD2-CD1 4.09Å; L906-I914 HydrophobicContact CG-CD1 3.82Å; S907-I914 WeakPolarHBondContact OG-CG2 3.44Å; Y910-I914 WeakPolarHBondContact O-CD1 3.38Å; Y910-I914 WeakPolarHBondContact O-CG1 3.27Å; P911-I914 PolarHBondContact O-N 3.29Å; I914-D917 PolarHBondContact O-N 2.89Å; I914-L918 HydrophobicContact CG2-CD1 3.66Å; I914-L918 HydrophobicContact CG2-CG 4.17Å; I914-L918 WeakPolarHBondContact O-CG 3.43Å; I914-L918 PolarHBondContact O-N 2.88Å
915L87.7Confident81.9Confident3 Ų342.3 Ų42.32%0.01624%0.236CC..Hα-helixtrans-67.3-46.7-176.3-161.179.7000112.8P911 D917 L918 L919 L941 I944 Y955 L959P911-L915 WeakPolarHBondContact O-CB 3.48Å; P911-L915 PolarHBondContact O-N 2.86Å; L915-D917 VanDerWaalsContact C-N 3.34Å; L915-D917 PolarHBondContact O-N 2.72Å; L915-L918 PolarHBondContact O-N 3.3Å; L915-L919 HydrophobicContact CD2-CD1 4.32Å; L915-L919 HydrophobicContact CG-CD1 4.05Å; L915-L919 HydrophobicContact CG-CG 4.4Å; L915-L919 WeakPolarHBondContact O-CB 3.29Å; L915-L919 VanDerWaalsContact O-CG 3.24Å; L915-L919 WeakPolarHBondContact O-CG 3.41Å; L915-L919 PolarHBondContact O-N 3.48Å; L915-L941 HydrophobicContact CD1-CD2 3.85Å; L915-I944 HydrophobicContact CD1-CD1 4.4Å; L915-I944 HydrophobicContact CD1-CG2 3.82Å; L915-Y955 HydrophobicContact CD2-CD1 3.65Å; L915-Y955 HydrophobicContact CD2-CD2 4.21Å; L915-Y955 HydrophobicContact CD2-CE1 4.42Å; L915-Y955 HydrophobicContact CD2-CG 3.52Å; L915-L959 HydrophobicContact CD1-CD2 4.37Å; L915-L959 HydrophobicContact CD2-CD1 4.36Å; L915-L959 HydrophobicContact CD2-CD2 4.37Å; L915-L959 HydrophobicContact CD2-CG 4.32Å
916P86.6Confident80.5Confident68 Ų6847.5 Ų47.544%0.44226%0.257SS..Hα-helixtrans-57.9-42.2174.1-26.536.1000113.7E912 K913 L919 A920E912-P916 WeakPolarHBondContact O-CD 3.34Å; E912-P916 WeakPolarHBondContact O-CG 3.34Å; K913-P916 WeakPolarHBondContact O-CD 3.28Å; P916-L919 PolarHBondContact O-N 2.83Å; P916-A920 WeakPolarHBondContact O-CB 3.48Å; P916-A920 PolarHBondContact O-N 3.31Å
917D83.8Confident79Confident86 Ų8654.6 Ų54.646%0.4630%0.295SS..Hα-helixtrans-64.9-40.8-179.7-74-13.6000111.9K913 I914 L915 Q921K913-D917 PolarHBondContact O-N 3.36Å; I914-D917 PolarHBondContact O-N 2.89Å; L915-D917 VanDerWaalsContact C-N 3.34Å; L915-D917 PolarHBondContact O-N 2.72Å; D917-Q921 WeakPolarHBondContact O-CG 3.42Å; D917-Q921 PolarHBondContact O-N 3.26Å; D917-Q921 VanDerWaalsContact O-N 3.11Å; D917-Q921 PolarHBondContact O-NE2 3.14Å
918L87.8Confident77.9Confident2 Ų262.8 Ų62.81%0.0133%0.33CS..Hα-helixtrans-71-39176.1-69.6173.9000112.6L885 V903 I914 L915 A920 Q921 Y922 V937 V940 L941 I944L885-L918 HydrophobicContact CD2-CD2 3.97Å; V903-L918 HydrophobicContact CG1-CD1 3.98Å; I914-L918 HydrophobicContact CG2-CD1 3.66Å; I914-L918 HydrophobicContact CG2-CG 4.17Å; I914-L918 WeakPolarHBondContact O-CG 3.43Å; I914-L918 PolarHBondContact O-N 2.88Å; L915-L918 PolarHBondContact O-N 3.3Å; L918-A920 VanDerWaalsContact C-N 3.33Å; L918-Q921 PolarHBondContact O-N 3.27Å; L918-Y922 WeakPolarHBondContact O-CB 3.49Å; L918-Y922 PolarHBondContact O-N 3.32Å; L918-V937 HydrophobicContact CB-CG1 4.38Å; L918-V937 HydrophobicContact CD2-CG1 4.25Å; L918-V937 WeakPolarHBondContact O-CG1 3.45Å; L918-V940 HydrophobicContact CD1-CG1 3.69Å; L918-L941 HydrophobicContact CB-CD2 3.89Å; L918-L941 HydrophobicContact CB-CG 4.48Å; L918-L941 HydrophobicContact CD1-CD2 4.45Å; L918-I944 HydrophobicContact CD1-CD1 3.36Å
919L88.8Confident77.4Confident13 Ų1362 Ų627%0.06832%0.324CS..Hα-helixtrans-64.8-38.5175.6-69.1172000111.4L915 P916 Y922 D923 L941 P958 L959 T962L915-L919 HydrophobicContact CD2-CD1 4.32Å; L915-L919 HydrophobicContact CG-CD1 4.05Å; L915-L919 HydrophobicContact CG-CG 4.4Å; L915-L919 WeakPolarHBondContact O-CB 3.29Å; L915-L919 VanDerWaalsContact O-CG 3.24Å; L915-L919 WeakPolarHBondContact O-CG 3.41Å; L915-L919 PolarHBondContact O-N 3.48Å; P916-L919 PolarHBondContact O-N 2.83Å; L919-Y922 PolarHBondContact O-N 3Å; L919-D923 WeakPolarHBondContact O-CB 3.43Å; L919-D923 PolarHBondContact O-N 3.12Å; L919-L941 HydrophobicContact CD2-CD1 3.94Å; L919-L941 HydrophobicContact CD2-CD2 3.99Å; L919-L941 HydrophobicContact CG-CD2 4.32Å; L919-P958 HydrophobicContact CD1-CB 3.8Å; L919-L959 HydrophobicContact CD2-CD2 3.98Å; L919-T962 HydrophobicContact CD2-CG2 3.75Å
920A85.1Confident77.4Confident64 Ų6463.6 Ų63.653%0.52933%0.334SS..Hα-helixtrans-65.9-37174.300000112.7P916 L918 S924P916-A920 WeakPolarHBondContact O-CB 3.48Å; P916-A920 PolarHBondContact O-N 3.31Å; L918-A920 VanDerWaalsContact C-N 3.33Å; A920-S924 WeakPolarHBondContact O-CB 3.27Å; A920-S924 PolarHBondContact O-N 2.98Å
921Q84.4Confident77.1Confident49 Ų4963.3 Ų63.323%0.22934%0.341CS..Hα-helixtrans-66.1-42172.6-73.4170.447.500111.6D917 L918 S924D917-Q921 WeakPolarHBondContact O-CG 3.42Å; D917-Q921 PolarHBondContact O-N 3.26Å; D917-Q921 VanDerWaalsContact O-N 3.11Å; D917-Q921 PolarHBondContact O-NE2 3.14Å; L918-Q921 PolarHBondContact O-N 3.27Å; Q921-S924 PolarHBondContact O-N 3.36Å; Q921-S924 PolarHBondContact O-OG 2.97Å
922Y86.8Confident77Confident1 Ų168.2 Ų68.20%0.00436%0.362CS..Hα-helixtrans-65.7-44.4179.5-163.2-99.5000112.9L918 L919 S924 R934 V937 L941 T962 F963 H974 S977 S978L918-Y922 WeakPolarHBondContact O-CB 3.49Å; L918-Y922 PolarHBondContact O-N 3.32Å; L919-Y922 PolarHBondContact O-N 3Å; Y922-S924 VanDerWaalsContact C-N 3.29Å; Y922-S924 PolarHBondContact O-N 3.06Å; Y922-R934 WeakPolarHBondContact CD2-O 3.49Å; Y922-R934 VanDerWaalsContact CE2-O 3.31Å; Y922-R934 WeakPolarHBondContact CE2-O 3.44Å; Y922-V937 HydrophobicContact CD2-CB 4.35Å; Y922-V937 HydrophobicContact CD2-CG1 4.07Å; Y922-L941 HydrophobicContact CD2-CD1 4.05Å; Y922-L941 HydrophobicContact CG-CD1 3.94Å; Y922-T962 HydrophobicContact CD1-CG2 3.6Å; Y922-T962 HydrophobicContact CE1-CG2 4.38Å; Y922-T962 HydrophobicContact CG-CG2 4.42Å; Y922-F963 HydrophobicContact CE1-CD1 4.14Å; Y922-F963 HydrophobicContact CE1-CE1 4.45Å; Y922-H974 AromaticContact CD1-CE1 3.94Å; Y922-H974 AromaticContact CD2-CE1 3.9Å; Y922-H974 AromaticContact CE1-CE1 3.56Å; Y922-H974 AromaticContact CE1-NE2 3.6Å; Y922-H974 AromaticContact CE2-CE1 3.49Å; Y922-H974 VanDerWaalsContact CE2-CE1 3.49Å; Y922-H974 WeakPolarHBondContact CE2-CE1 3.41Å; Y922-H974 AromaticContact CZ-CE1 3.34Å; Y922-H974 AromaticContact CZ-NE2 3.75Å; Y922-S977 PolarHBondContact OH-OG 3.43Å; Y922-S978 WeakPolarHBondContact OH-CA 3.47Å; Y922-S978 PolarHBondContact OH-N 3.39Å; Y922-S978 PolarHBondContact OH-OG 2.93Å
923D79.8Confident77.1Confident51 Ų5164.2 Ų64.227%0.27334%0.344SS..Hα-helixtrans-77.6-9.2-179.5-172.656.1000114.2L919 S925 R965L919-D923 WeakPolarHBondContact O-CB 3.43Å; L919-D923 PolarHBondContact O-N 3.12Å; D923-S925 PolarHBondContact O-N 2.88Å; D923-S925 VanDerWaalsContact O-N 3.15Å; D923-R965 VanDerWaalsContact CG-NH1 3.29Å; D923-R965 WeakPolarHBondContact OD1-CD 3.29Å; D923-R965 IonicContact OD1-CZ 2.71Å; D923-R965 IonicContact OD1-NE 2.99Å; D923-R965 PolarHBondContact OD1-NE 3.1Å; D923-R965 VanDerWaalsContact OD1-NE 3.1Å; D923-R965 IonicContact OD1-NH1 2.89Å; D923-R965 PolarHBondContact OD1-NH1 3.04Å; D923-R965 VanDerWaalsContact OD1-NH1 3.12Å; D923-R965 IonicContact OD1-NH2 3.92Å; D923-R965 PolarHBondContact OD1-NH2 3.19Å; D923-R965 VanDerWaalsContact OD1-NH2 3.12Å; D923-R965 IonicContact OD2-CZ 3.78Å; D923-R965 IonicContact OD2-NH1 2.67Å; D923-R965 PolarHBondContact OD2-NH1 3.1Å; D923-R965 IonicContact OD2-NH2 3.93Å; D923-R965 PolarHBondContact OD2-NH2 3.02Å
924S67.8Low77.3Confident23 Ų2360.7 Ų60.716%0.16133%0.328CS..  trans-60.2118.9-172.366.60000112.5A920 Q921 Y922 K926A920-S924 WeakPolarHBondContact O-CB 3.27Å; A920-S924 PolarHBondContact O-N 2.98Å; Q921-S924 PolarHBondContact O-N 3.36Å; Q921-S924 PolarHBondContact O-OG 2.97Å; Y922-S924 VanDerWaalsContact C-N 3.29Å; Y922-S924 PolarHBondContact O-N 3.06Å; S924-K926 PolarHBondContact O-N 3.35Å; S924-K926 VanDerWaalsContact O-N 3.07Å
925S54.4Low77.4Confident87 Ų8763.9 Ų63.961%0.60834%0.344SS*.  trans-73.3102.6-171.157.10000112.4D923 D927D923-S925 PolarHBondContact O-N 2.88Å; D923-S925 VanDerWaalsContact O-N 3.15Å; S925-D927 PolarHBondContact O-N 2.89Å
926K55.1Low77.4Confident145 Ų14565 Ų6563%0.6335%0.349SS*.SBendtrans57.1-28.1161.5-59.9-169.1-178.6-173.40120.2S924S924-K926 PolarHBondContact O-N 3.35Å; S924-K926 VanDerWaalsContact O-N 3.07Å
927D54.5Low77.5Confident150 Ų15061.9 Ų61.980%0.80233%0.328SS*.SBendtrans-1062.4-162.7-63.8-23.2000114.9S925S925-D927 PolarHBondContact O-N 2.89Å
928K62.1Low77.8Confident173 Ų17357.8 Ų57.875%0.75231%0.306SS*.SBendtrans-122-34.3-175.7-76.8-170.7175.5-178.30117.1
929H71.1Confident77.9Confident58 Ų5860.7 Ų60.727%0.26932%0.32SS..SBendtrans-135.9147.1-175.8-60.7-77.8000111.3E889 T933 R934E889-H929 IonicContact OE1-ND1 2.72Å; H929-T933 HydrophobicContact CB-CG2 4.32Å; H929-R934 HydrophobicContact CB-CG 4.35Å
930T78.2Confident78Confident76 Ų7660 Ų6047%0.46632%0.317SS..  trans-66.1155176.457.10000111.2E932 T933 R934T930-E932 PolarHBondContact O-N 3.2Å; T930-T933 PolarHBondContact O-N 3.09Å; T930-T933 VanDerWaalsContact O-N 3.16Å; T930-T933 PolarHBondContact OG1-N 3.2Å; T930-T933 PolarHBondContact OG1-OG1 3.14Å; T930-T933 VanDerWaalsContact OG1-OG1 3.11Å; T930-R934 PolarHBondContact O-N 3.28Å
931P76.1Confident78.3Confident62 Ų6257 Ų5740%0.40329%0.292SS..Hα-helixtrans-55.2-39.6175.121.4-32.7000112T933 R934 M935 D971P931-T933 PolarHBondContact O-N 3.44Å; P931-R934 PolarHBondContact O-N 3.04Å; P931-M935 WeakPolarHBondContact O-CG 3.01Å; P931-M935 PolarHBondContact O-N 3Å; P931-D971 VanDerWaalsContact CB-OD2 3.31Å; P931-D971 WeakPolarHBondContact CB-OD2 3.35Å
932E80.7Confident78.6Confident124 Ų12455.8 Ų55.858%0.57929%0.286SS*.Hα-helixtrans-60.2-44.8176.3-63.3175.3-173.400112.7T930 R934 M935 K936T930-E932 PolarHBondContact O-N 3.2Å; E932-R934 VanDerWaalsContact C-N 3.34Å; E932-R934 PolarHBondContact O-N 2.98Å; E932-M935 PolarHBondContact O-N 2.83Å; E932-K936 WeakPolarHBondContact O-CG 3.44Å; E932-K936 PolarHBondContact O-N 3.09Å
933T81.9Confident78.7Confident16 Ų1658.6 Ų58.610%0.09830%0.297CS..Hα-helixtrans-65-38.6175.2-63.70000111.3E889 H929 T930 P931 M935 K936 V937E889-T933 HydrophobicContact CG-CG2 4.29Å; H929-T933 HydrophobicContact CB-CG2 4.32Å; T930-T933 PolarHBondContact O-N 3.09Å; T930-T933 VanDerWaalsContact O-N 3.16Å; T930-T933 PolarHBondContact OG1-N 3.2Å; T930-T933 PolarHBondContact OG1-OG1 3.14Å; T930-T933 VanDerWaalsContact OG1-OG1 3.11Å; P931-T933 PolarHBondContact O-N 3.44Å; T933-M935 VanDerWaalsContact C-N 3.34Å; T933-M935 PolarHBondContact O-N 2.77Å; T933-K936 PolarHBondContact O-N 3.27Å; T933-V937 WeakPolarHBondContact O-CG2 3.19Å; T933-V937 PolarHBondContact O-N 2.85Å
934R85.6Confident79.2Confident18 Ų1856.2 Ų56.27%0.06828%0.284CS..Hα-helixtrans-63.3-38.2173.5-62.9-170.1-59.1158.55.3112.2Y922 H929 T930 P931 E932 V937 G938 D969Y922-R934 WeakPolarHBondContact CD2-O 3.49Å; Y922-R934 VanDerWaalsContact CE2-O 3.31Å; Y922-R934 WeakPolarHBondContact CE2-O 3.44Å; H929-R934 HydrophobicContact CB-CG 4.35Å; T930-R934 PolarHBondContact O-N 3.28Å; P931-R934 PolarHBondContact O-N 3.04Å; E932-R934 VanDerWaalsContact C-N 3.34Å; E932-R934 PolarHBondContact O-N 2.98Å; R934-V937 PolarHBondContact O-N 3.14Å; R934-G938 PolarHBondContact O-N 2.97Å; R934-D969 IonicContact CZ-OD1 2.91Å; R934-D969 IonicContact CZ-OD2 3.84Å; R934-D969 IonicContact NH1-OD1 3.69Å; R934-D969 IonicContact NH1-OD2 3.36Å; R934-D969 PolarHBondContact NH1-OD2 3.18Å; R934-D969 IonicContact NH2-OD1 3.03Å; R934-D969 PolarHBondContact NH2-OD1 2.79Å; R934-D969 IonicContact NH2-OD2 3.3Å; R934-D969 PolarHBondContact NH2-OD2 2.89Å
935M86.3Confident80.2Confident72 Ų7255.1 Ų55.136%0.35528%0.276SS..Hα-helixtrans-65.7-43.4173.1-69.2175.972.700112.2P931 E932 T933 V937 G938 E939 A973P931-M935 WeakPolarHBondContact O-CG 3.01Å; P931-M935 PolarHBondContact O-N 3Å; E932-M935 PolarHBondContact O-N 2.83Å; T933-M935 VanDerWaalsContact C-N 3.34Å; T933-M935 PolarHBondContact O-N 2.77Å; M935-V937 VanDerWaalsContact C-N 3.29Å; M935-V937 PolarHBondContact O-N 3Å; M935-G938 WeakPolarHBondContact O-CA 3.32Å; M935-G938 PolarHBondContact O-N 3.3Å; M935-G938 VanDerWaalsContact O-N 3.08Å; M935-E939 WeakPolarHBondContact O-CB 3.43Å; M935-E939 PolarHBondContact O-N 3.34Å; M935-A973 HydrophobicContact CE-CB 3.83Å; M935-A973 HydrophobicContact SD-CB 3.52Å; M935-A973 VanDerWaalsContact SD-CB 3.52Å
936K88.4Confident81.8Confident26 Ų2657.1 Ų57.111%0.11327%0.271CS..Hα-helixtrans-57.9-40173.6-71.5172.7175.6-179.60111.6M888 H890 Y896 I900 E932 T933 E939 V940M888-K936 HydrophobicContact CE-CB 4.27Å; M888-K936 VanDerWaalsContact O-CD 3.26Å; M888-K936 WeakPolarHBondContact O-CD 3.48Å; M888-K936 PolarHBondContact O-NZ 3.46Å; H890-K936 PolarHBondContact O-NZ 3.25Å; Y896-K936 HydrophobicContact CD2-CD 4.28Å; Y896-K936 HydrophobicContact CD2-CG 4.36Å; Y896-K936 HydrophobicContact CG-CD 4.3Å; I900-K936 HydrophobicContact CD1-CB 4.18Å; I900-K936 HydrophobicContact CD1-CG 4.43Å; E932-K936 WeakPolarHBondContact O-CG 3.44Å; E932-K936 PolarHBondContact O-N 3.09Å; T933-K936 PolarHBondContact O-N 3.27Å; K936-E939 PolarHBondContact O-N 3.06Å; K936-V940 WeakPolarHBondContact O-CG2 3.33Å; K936-V940 PolarHBondContact O-N 3.06Å; K936-V940 VanDerWaalsContact O-N 3.12Å
937V89.3Confident83.2Confident3 Ų352.7 Ų52.72%0.01826%0.261CS..Hα-helixtrans-67.2-40172.9172.80000111.7M888 L918 Y922 T933 R934 M935 E939 V940 L941M888-V937 HydrophobicContact CE-CG2 3.92Å; L918-V937 HydrophobicContact CB-CG1 4.38Å; L918-V937 HydrophobicContact CD2-CG1 4.25Å; L918-V937 WeakPolarHBondContact O-CG1 3.45Å; Y922-V937 HydrophobicContact CD2-CB 4.35Å; Y922-V937 HydrophobicContact CD2-CG1 4.07Å; T933-V937 WeakPolarHBondContact O-CG2 3.19Å; T933-V937 PolarHBondContact O-N 2.85Å; R934-V937 PolarHBondContact O-N 3.14Å; M935-V937 VanDerWaalsContact C-N 3.29Å; M935-V937 PolarHBondContact O-N 3Å; V937-E939 VanDerWaalsContact C-N 3.31Å; V937-E939 PolarHBondContact O-N 3.5Å; V937-V940 WeakPolarHBondContact O-CB 3.42Å; V937-V940 PolarHBondContact O-N 2.67Å; V937-V940 VanDerWaalsContact O-N 3.16Å; V937-L941 HydrophobicContact CG1-CD1 4.29Å; V937-L941 WeakPolarHBondContact O-CG 3.45Å; V937-L941 PolarHBondContact O-N 3.42Å
938G89.9Confident84.5Confident0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-58.5-42.7173.300000113R934 M935 V940 L941 M942 N981R934-G938 PolarHBondContact O-N 2.97Å; M935-G938 WeakPolarHBondContact O-CA 3.32Å; M935-G938 PolarHBondContact O-N 3.3Å; M935-G938 VanDerWaalsContact O-N 3.08Å; G938-V940 VanDerWaalsContact C-N 3.3Å; G938-V940 PolarHBondContact O-N 3.43Å; G938-L941 PolarHBondContact O-N 3.28Å; G938-M942 PolarHBondContact O-N 2.95Å; G938-N981 WeakPolarHBondContact CA-ND2 3.32Å; G938-N981 PolarHBondContact O-ND2 3.3Å; G938-N981 PolarHBondContact O-OD1 3.38Å
939E89Confident85.5Confident63 Ų6339.1 Ų39.129%0.29420%0.202SC..Hα-helixtrans-68.5-25177.2-178.160.4-160.800112.7I900 M935 K936 V937 M942 R943I900-E939 HydrophobicContact CD1-CG 4.34Å; M935-E939 WeakPolarHBondContact O-CB 3.43Å; M935-E939 PolarHBondContact O-N 3.34Å; K936-E939 PolarHBondContact O-N 3.06Å; V937-E939 VanDerWaalsContact C-N 3.31Å; V937-E939 PolarHBondContact O-N 3.5Å; E939-M942 WeakPolarHBondContact OE2-CE 3.41Å; E939-R943 VanDerWaalsContact CG-NH1 3.28Å; E939-R943 PolarHBondContact O-NH1 3.47Å; E939-R943 IonicContact OE1-CZ 3.47Å; E939-R943 IonicContact OE1-NH1 2.69Å; E939-R943 PolarHBondContact OE1-NH1 2.9Å; E939-R943 IonicContact OE1-NH2 2.68Å; E939-R943 PolarHBondContact OE1-NH2 3Å
940V91.4Very high85.9Confident0 Ų043.4 Ų43.40%023%0.227CC..Hα-helixtrans-71.9-52.1164.4175.20000110.7M888 I900 V903 L918 K936 V937 G938 M942 R943 I944M888-V940 HydrophobicContact CE-CG2 3.55Å; M888-V940 HydrophobicContact SD-CG2 3.86Å; I900-V940 HydrophobicContact CB-CG2 3.98Å; I900-V940 HydrophobicContact CG1-CG2 3.7Å; I900-V940 HydrophobicContact CG2-CG2 3.79Å; V903-V940 HydrophobicContact CB-CG1 4.05Å; V903-V940 HydrophobicContact CG1-CG1 3.68Å; L918-V940 HydrophobicContact CD1-CG1 3.69Å; K936-V940 WeakPolarHBondContact O-CG2 3.33Å; K936-V940 PolarHBondContact O-N 3.06Å; K936-V940 VanDerWaalsContact O-N 3.12Å; V937-V940 WeakPolarHBondContact O-CB 3.42Å; V937-V940 PolarHBondContact O-N 2.67Å; V937-V940 VanDerWaalsContact O-N 3.16Å; G938-V940 VanDerWaalsContact C-N 3.3Å; G938-V940 PolarHBondContact O-N 3.43Å; V940-M942 PolarHBondContact O-N 3.42Å; V940-R943 CarbonylContact O-C 3.56Å; V940-R943 WeakPolarHBondContact O-CA 3.47Å; V940-R943 PolarHBondContact O-N 3.39Å; V940-I944 HydrophobicContact CG1-CD1 3.61Å; V940-I944 HydrophobicContact CG1-CG1 4.06Å; V940-I944 WeakPolarHBondContact O-CG1 3.36Å; V940-I944 PolarHBondContact O-N 2.94Å
941L91.7Very high86.1Confident0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-55.8-40.5-178.2-72170.5000111.6L915 L918 L919 Y922 V937 G938 I944 I945 F963L915-L941 HydrophobicContact CD1-CD2 3.85Å; L918-L941 HydrophobicContact CB-CD2 3.89Å; L918-L941 HydrophobicContact CB-CG 4.48Å; L918-L941 HydrophobicContact CD1-CD2 4.45Å; L919-L941 HydrophobicContact CD2-CD1 3.94Å; L919-L941 HydrophobicContact CD2-CD2 3.99Å; L919-L941 HydrophobicContact CG-CD2 4.32Å; Y922-L941 HydrophobicContact CD2-CD1 4.05Å; Y922-L941 HydrophobicContact CG-CD1 3.94Å; V937-L941 HydrophobicContact CG1-CD1 4.29Å; V937-L941 WeakPolarHBondContact O-CG 3.45Å; V937-L941 PolarHBondContact O-N 3.42Å; G938-L941 PolarHBondContact O-N 3.28Å; L941-I944 PolarHBondContact O-N 3.36Å; L941-I945 WeakPolarHBondContact O-CD1 3.41Å; L941-I945 VanDerWaalsContact O-CG1 3.28Å; L941-I945 WeakPolarHBondContact O-CG1 3.18Å; L941-I945 PolarHBondContact O-N 3.19Å; L941-F963 HydrophobicContact CB-CE1 4.44Å; L941-F963 HydrophobicContact CB-CZ 4.27Å; L941-F963 HydrophobicContact CD1-CE1 4.03Å; L941-F963 HydrophobicContact CD1-CZ 4.48Å
942M90.9Very high86.6Confident23 Ų2342.8 Ų42.811%0.11322%0.215CC..Hα-helixtrans-58.3-46172.1-169.7-118.8-74.300112.9G938 E939 V940 I944 I945 R946 N981 E984G938-M942 PolarHBondContact O-N 2.95Å; E939-M942 WeakPolarHBondContact OE2-CE 3.41Å; V940-M942 PolarHBondContact O-N 3.42Å; M942-I944 VanDerWaalsContact C-N 3.33Å; M942-I944 PolarHBondContact O-N 3.42Å; M942-I945 PolarHBondContact O-N 2.98Å; M942-R946 WeakPolarHBondContact O-CG 3.22Å; M942-R946 PolarHBondContact O-N 3.31Å; M942-R946 PolarHBondContact SD-NH1 2.72Å; M942-N981 WeakPolarHBondContact CB-OD1 3.47Å; M942-E984 HydrophobicContact CG-CB 4.35Å; M942-E984 HydrophobicContact CG-CG 4.28Å
943R89.6Confident86.7Confident60 Ų6039.3 Ų39.323%0.22620%0.204CC..Hα-helixtrans-66.4-32.8175.2-80.7-175.5-171.3659.2113.1A904 E939 V940 R946 A947A904-R943 HydrophobicContact CB-CB 3.64Å; E939-R943 VanDerWaalsContact CG-NH1 3.28Å; E939-R943 PolarHBondContact O-NH1 3.47Å; E939-R943 IonicContact OE1-CZ 3.47Å; E939-R943 IonicContact OE1-NH1 2.69Å; E939-R943 PolarHBondContact OE1-NH1 2.9Å; E939-R943 IonicContact OE1-NH2 2.68Å; E939-R943 PolarHBondContact OE1-NH2 3Å; V940-R943 CarbonylContact O-C 3.56Å; V940-R943 WeakPolarHBondContact O-CA 3.47Å; V940-R943 PolarHBondContact O-N 3.39Å; R943-R946 WeakPolarHBondContact O-CB 3.18Å; R943-R946 PolarHBondContact O-N 3.07Å; R943-A947 WeakPolarHBondContact O-CB 3.42Å; R943-A947 PolarHBondContact O-N 2.94Å
944I89.2Confident86.8Confident1 Ų144.6 Ų44.61%0.00523%0.226CC..Hα-helixtrans-68.3-45.9176-63.6173.4000110.2S907 L915 L918 V940 L941 M942 R946 A947 L948S907-I944 WeakPolarHBondContact OG-CD1 3.34Å; L915-I944 HydrophobicContact CD1-CD1 4.4Å; L915-I944 HydrophobicContact CD1-CG2 3.82Å; L918-I944 HydrophobicContact CD1-CD1 3.36Å; V940-I944 HydrophobicContact CG1-CD1 3.61Å; V940-I944 HydrophobicContact CG1-CG1 4.06Å; V940-I944 WeakPolarHBondContact O-CG1 3.36Å; V940-I944 PolarHBondContact O-N 2.94Å; L941-I944 PolarHBondContact O-N 3.36Å; M942-I944 VanDerWaalsContact C-N 3.33Å; M942-I944 PolarHBondContact O-N 3.42Å; I944-R946 PolarHBondContact O-N 3.13Å; I944-A947 PolarHBondContact O-N 3Å; I944-A947 VanDerWaalsContact O-N 3.15Å; I944-L948 HydrophobicContact CG2-CD1 3.61Å; I944-L948 HydrophobicContact CG2-CG 3.96Å; I944-L948 WeakPolarHBondContact O-CB 3.24Å; I944-L948 VanDerWaalsContact O-CG 3.31Å; I944-L948 WeakPolarHBondContact O-CG 3.39Å; I944-L948 PolarHBondContact O-N 3.12Å
945I89.4Confident86.9Confident1 Ų145 Ų451%0.00523%0.228CC..Hα-helixtrans-56.5-39.4172-65.2158.6000110.2L941 M942 V952 L959 F963 E984 L985 R988L941-I945 WeakPolarHBondContact O-CD1 3.41Å; L941-I945 VanDerWaalsContact O-CG1 3.28Å; L941-I945 WeakPolarHBondContact O-CG1 3.18Å; L941-I945 PolarHBondContact O-N 3.19Å; M942-I945 PolarHBondContact O-N 2.98Å; I945-V952 HydrophobicContact CG2-CG2 4.26Å; I945-L959 HydrophobicContact CD1-CD2 4.3Å; I945-L959 HydrophobicContact CG1-CD1 4.33Å; I945-L959 HydrophobicContact CG1-CD2 4.37Å; I945-F963 HydrophobicContact CD1-CE2 3.66Å; I945-F963 HydrophobicContact CD1-CZ 3.78Å; I945-E984 HydrophobicContact CB-CG 4.38Å; I945-E984 HydrophobicContact CG2-CG 3.84Å; I945-L985 HydrophobicContact CD1-CB 4.37Å; I945-R988 PolarHBondContact O-NE 3.17Å; I945-R988 PolarHBondContact O-NH1 2.94Å
946R87.8Confident87Confident129 Ų12944.3 Ų44.349%0.48722%0.221SC..Hα-helixtrans-62-45.8174.4-77.9178.4174.8165.59.9114M942 R943 I944 E984 R988M942-R946 WeakPolarHBondContact O-CG 3.22Å; M942-R946 PolarHBondContact O-N 3.31Å; M942-R946 PolarHBondContact SD-NH1 2.72Å; R943-R946 WeakPolarHBondContact O-CB 3.18Å; R943-R946 PolarHBondContact O-N 3.07Å; I944-R946 PolarHBondContact O-N 3.13Å; R946-E984 VanDerWaalsContact CG-CD 3.49Å; R946-E984 HydrophobicContact CG-CG 3.96Å; R946-E984 VanDerWaalsContact CG-OE1 3.23Å; R946-E984 WeakPolarHBondContact CG-OE1 3.45Å; R946-E984 IonicContact CZ-OE2 3.77Å; R946-E984 VanDerWaalsContact NE-CD 3.28Å; R946-E984 IonicContact NE-OE1 2.88Å; R946-E984 IonicContact NE-OE2 3.82Å; R946-E984 PolarHBondContact NE-OE2 3.04Å; R946-E984 IonicContact NH2-OE2 2.8Å; R946-E984 PolarHBondContact NH2-OE2 2.81Å; R946-R988 VanDerWaalsContact CA-CZ 3.49Å; R946-R988 PolarHBondContact O-NH1 3.45Å
947A83.5Confident87Confident52 Ų5247.9 Ų47.943%0.4324%0.238SC..Hα-helixtrans-71.3-41.4-179.100000112.9R943 I944 G949R943-A947 WeakPolarHBondContact O-CB 3.42Å; R943-A947 PolarHBondContact O-N 2.94Å; I944-A947 PolarHBondContact O-N 3Å; I944-A947 VanDerWaalsContact O-N 3.15Å; A947-G949 VanDerWaalsContact C-N 3.31Å; A947-G949 PolarHBondContact O-N 2.86Å
948L83.7Confident87Confident16 Ų1650.9 Ų50.98%0.08426%0.257CS..Hα-helixtrans-68.1-23.8-173.7-74.7176.7000114.5P911 I944 D950 M951 V952 Y955P911-L948 HydrophobicContact CB-CD2 4.09Å; P911-L948 HydrophobicContact CG-CD2 4.12Å; I944-L948 HydrophobicContact CG2-CD1 3.61Å; I944-L948 HydrophobicContact CG2-CG 3.96Å; I944-L948 WeakPolarHBondContact O-CB 3.24Å; I944-L948 VanDerWaalsContact O-CG 3.31Å; I944-L948 WeakPolarHBondContact O-CG 3.39Å; I944-L948 PolarHBondContact O-N 3.12Å; L948-D950 PolarHBondContact O-N 2.89Å; L948-M951 HydrophobicContact CB-CB 4.49Å; L948-M951 HydrophobicContact CD2-CB 4.49Å; L948-M951 VanDerWaalsContact O-CB 3.26Å; L948-M951 WeakPolarHBondContact O-CB 3.31Å; L948-M951 PolarHBondContact O-N 3.44Å; L948-V952 HydrophobicContact CB-CG2 3.49Å; L948-V952 VanDerWaalsContact CB-CG2 3.49Å; L948-V952 HydrophobicContact CD1-CG2 4.28Å; L948-Y955 HydrophobicContact CD1-CD2 4.26Å
949G83Confident87Confident22 Ų2250.9 Ų50.923%0.22726%0.257CS..G310 helixtrans52.9-128.4-179.800000112.4A947 M951 V952A947-G949 VanDerWaalsContact C-N 3.31Å; A947-G949 PolarHBondContact O-N 2.86Å; G949-M951 PolarHBondContact O-N 2.77Å; G949-V952 WeakPolarHBondContact O-CB 3.25Å; G949-V952 WeakPolarHBondContact O-CG2 3.4Å; G949-V952 PolarHBondContact O-N 3.03Å; G949-V952 VanDerWaalsContact O-N 3.16Å
950D79.2Confident87.2Confident148 Ų14848.1 Ų48.179%0.79125%0.245SC*.G310 helixtrans-63.2-21.6-179.3-51.9-23.3000113.3L948 V952 S953L948-D950 PolarHBondContact O-N 2.89Å; D950-V952 PolarHBondContact O-N 2.79Å; D950-S953 WeakPolarHBondContact O-CB 3.49Å; D950-S953 PolarHBondContact O-N 3.18Å; D950-S953 PolarHBondContact O-OG 3.3Å
951M82.1Confident87.1Confident122 Ų12254.4 Ų54.460%0.60127%0.274SS*.G310 helixtrans-70.7-11.8177.9-60-63.3-65.600113.2L948 G949 S953 K954L948-M951 HydrophobicContact CB-CB 4.49Å; L948-M951 HydrophobicContact CD2-CB 4.49Å; L948-M951 VanDerWaalsContact O-CB 3.26Å; L948-M951 WeakPolarHBondContact O-CB 3.31Å; L948-M951 PolarHBondContact O-N 3.44Å; G949-M951 PolarHBondContact O-N 2.77Å; M951-S953 PolarHBondContact O-N 3.5Å; M951-K954 PolarHBondContact O-N 3.47Å
952V85.6Confident87.1Confident2 Ų255.3 Ų55.31%0.01228%0.28CS..G310 helixtrans-58.4-28.5172.81740000111.8I945 L948 G949 D950 K954 Y955 R956 L959 L985I945-V952 HydrophobicContact CG2-CG2 4.26Å; L948-V952 HydrophobicContact CB-CG2 3.49Å; L948-V952 VanDerWaalsContact CB-CG2 3.49Å; L948-V952 HydrophobicContact CD1-CG2 4.28Å; G949-V952 WeakPolarHBondContact O-CB 3.25Å; G949-V952 WeakPolarHBondContact O-CG2 3.4Å; G949-V952 PolarHBondContact O-N 3.03Å; G949-V952 VanDerWaalsContact O-N 3.16Å; D950-V952 PolarHBondContact O-N 2.79Å; V952-K954 PolarHBondContact O-N 2.71Å; V952-K954 VanDerWaalsContact O-N 3.16Å; V952-Y955 CarbonylContact O-C 3.59Å; V952-Y955 PolarHBondContact O-N 2.97Å; V952-R956 PolarHBondContact O-N 3.44Å; V952-L959 HydrophobicContact CG1-CD1 4.03Å; V952-L985 HydrophobicContact CG1-CD1 3.28Å
953S82.8Confident87.2Confident52 Ų5254.2 Ų54.236%0.36427%0.274SS..G310 helixtrans-48.2-40.7176.554.30000113.9D950 M951 Y955 R956 L992D950-S953 WeakPolarHBondContact O-CB 3.49Å; D950-S953 PolarHBondContact O-N 3.18Å; D950-S953 PolarHBondContact O-OG 3.3Å; M951-S953 PolarHBondContact O-N 3.5Å; S953-Y955 PolarHBondContact O-N 2.99Å; S953-R956 PolarHBondContact O-N 3.43Å; S953-L992 VanDerWaalsContact CB-CD1 3.48Å
954K84.7Confident87.3Confident126 Ų12653 Ų5355%0.54827%0.272SS..G310 helixtrans-63.7-25.3177.4-176.4177177.1-178.80113.4E912 M951 V952E912-K954 IonicContact OE1-NZ 3.36Å; E912-K954 PolarHBondContact OE1-NZ 3.44Å; M951-K954 PolarHBondContact O-N 3.47Å; V952-K954 PolarHBondContact O-N 2.71Å; V952-K954 VanDerWaalsContact O-N 3.16Å
955Y86.9Confident87.4Confident27 Ų2759.5 Ų59.511%0.10630%0.296CS..G310 helixtrans-113.39.5-173.7-54.5-76.4000113.4P911 E912 L915 L948 V952 S953 E957 P958 L959P911-Y955 HydrophobicContact CB-CE2 4.24Å; P911-Y955 HydrophobicContact CG-CE2 4.4Å; E912-Y955 VanDerWaalsContact CG-OH 3.31Å; E912-Y955 WeakPolarHBondContact CG-OH 3.49Å; L915-Y955 HydrophobicContact CD2-CD1 3.65Å; L915-Y955 HydrophobicContact CD2-CD2 4.21Å; L915-Y955 HydrophobicContact CD2-CE1 4.42Å; L915-Y955 HydrophobicContact CD2-CG 3.52Å; L948-Y955 HydrophobicContact CD1-CD2 4.26Å; V952-Y955 CarbonylContact O-C 3.59Å; V952-Y955 PolarHBondContact O-N 2.97Å; S953-Y955 PolarHBondContact O-N 2.99Å; Y955-E957 PolarHBondContact O-N 3.34Å; Y955-P958 WeakPolarHBondContact O-CD 3.24Å; Y955-L959 WeakPolarHBondContact O-CB 3.46Å; Y955-L959 WeakPolarHBondContact O-CD1 3.47Å; Y955-L959 WeakPolarHBondContact O-CG 3.33Å; Y955-L959 PolarHBondContact O-N 2.76Å
956R88.1Confident87.3Confident57 Ų5759.7 Ų59.722%0.21530%0.299CS..Hα-helixtrans-53-46.9-172.878.1-175.1-169.81328.4113.2V952 S953 L959 I960 L989 L992 S995V952-R956 PolarHBondContact O-N 3.44Å; S953-R956 PolarHBondContact O-N 3.43Å; R956-L959 PolarHBondContact O-N 2.9Å; R956-I960 HydrophobicContact CB-CD1 4.47Å; R956-I960 WeakPolarHBondContact O-CB 3.32Å; R956-I960 WeakPolarHBondContact O-CD1 3.5Å; R956-I960 VanDerWaalsContact O-CG1 3.24Å; R956-I960 WeakPolarHBondContact O-CG1 3.26Å; R956-I960 PolarHBondContact O-N 3.03Å; R956-L989 HydrophobicContact CB-CD2 3.81Å; R956-L992 PolarHBondContact NH1-O 3.19Å; R956-L992 VanDerWaalsContact NH1-O 3.15Å; R956-S995 PolarHBondContact NH1-OG 3.49Å
957E88.8Confident87.5Confident102 Ų10254.1 Ų54.148%0.47728%0.279SS..Hα-helixtrans-70.1-51.2-171.9-82.5157.5-140.300112.4Y955 L959 I960 H961Y955-E957 PolarHBondContact O-N 3.34Å; E957-L959 VanDerWaalsContact C-N 3.31Å; E957-L959 PolarHBondContact O-N 3.13Å; E957-I960 PolarHBondContact O-N 2.92Å; E957-H961 WeakPolarHBondContact O-CB 3.46Å; E957-H961 PolarHBondContact O-N 3.45Å
958P89.6Confident87.8Confident65 Ų6562.2 Ų62.242%0.42230%0.298SS..Hα-helixtrans-53.3-44.7170.5-28.434.4000113.5L919 Y955 T962L919-P958 HydrophobicContact CD1-CB 3.8Å; Y955-P958 WeakPolarHBondContact O-CD 3.24Å; P958-T962 WeakPolarHBondContact O-CB 3.45Å; P958-T962 PolarHBondContact O-N 2.95Å; P958-T962 PolarHBondContact O-OG1 3.42Å; P958-T962 VanDerWaalsContact O-OG1 3.04Å
959L91.2Very high88Confident0 Ų062.6 Ų62.60%030%0.301CS..Hα-helixtrans-65-50.5-178.5-72.9165.1000112.1L915 L919 I945 V952 Y955 R956 E957 H961 T962 F963 L985L915-L959 HydrophobicContact CD1-CD2 4.37Å; L915-L959 HydrophobicContact CD2-CD1 4.36Å; L915-L959 HydrophobicContact CD2-CD2 4.37Å; L915-L959 HydrophobicContact CD2-CG 4.32Å; L919-L959 HydrophobicContact CD2-CD2 3.98Å; I945-L959 HydrophobicContact CD1-CD2 4.3Å; I945-L959 HydrophobicContact CG1-CD1 4.33Å; I945-L959 HydrophobicContact CG1-CD2 4.37Å; V952-L959 HydrophobicContact CG1-CD1 4.03Å; Y955-L959 WeakPolarHBondContact O-CB 3.46Å; Y955-L959 WeakPolarHBondContact O-CD1 3.47Å; Y955-L959 WeakPolarHBondContact O-CG 3.33Å; Y955-L959 PolarHBondContact O-N 2.76Å; R956-L959 PolarHBondContact O-N 2.9Å; E957-L959 VanDerWaalsContact C-N 3.31Å; E957-L959 PolarHBondContact O-N 3.13Å; L959-H961 PolarHBondContact O-N 3.01Å; L959-T962 PolarHBondContact O-N 3.16Å; L959-F963 HydrophobicContact CB-CE2 4.04Å; L959-F963 HydrophobicContact CD2-CE2 3.91Å; L959-F963 HydrophobicContact CD2-CZ 3.77Å; L959-F963 WeakPolarHBondContact O-CD2 3.2Å; L959-F963 VanDerWaalsContact O-CG 3.31Å; L959-F963 WeakPolarHBondContact O-CG 3.37Å; L959-F963 PolarHBondContact O-N 2.67Å; L959-L985 HydrophobicContact CB-CD2 3.64Å; L959-L985 HydrophobicContact CD1-CD1 4.17Å
960I91.3Very high88.2Confident5 Ų565.6 Ų65.63%0.02632%0.316CS..Hα-helixtrans-60.2-46.7178.8-69.4162.5000110.7R956 E957 T962 F963 L964 L985 L989 V996R956-I960 HydrophobicContact CB-CD1 4.47Å; R956-I960 WeakPolarHBondContact O-CB 3.32Å; R956-I960 WeakPolarHBondContact O-CD1 3.5Å; R956-I960 VanDerWaalsContact O-CG1 3.24Å; R956-I960 WeakPolarHBondContact O-CG1 3.26Å; R956-I960 PolarHBondContact O-N 3.03Å; E957-I960 PolarHBondContact O-N 2.92Å; I960-T962 PolarHBondContact O-N 3.02Å; I960-F963 PolarHBondContact O-N 2.83Å; I960-L964 HydrophobicContact CG2-CD1 3.56Å; I960-L964 HydrophobicContact CG2-CG 4.1Å; I960-L964 WeakPolarHBondContact O-CB 2.98Å; I960-L964 WeakPolarHBondContact O-CG 3.4Å; I960-L964 PolarHBondContact O-N 2.92Å; I960-L985 HydrophobicContact CG1-CD2 3.64Å; I960-L989 HydrophobicContact CD1-CD1 3.94Å; I960-V996 HydrophobicContact CD1-CG1 4.39Å; I960-V996 HydrophobicContact CD1-CG2 3.9Å
961H90.8Very high88.6Confident133 Ų13360.9 Ų60.962%0.61629%0.291SS*.Hα-helixtrans-61.5-43.7-179.7-74.9-168.9000112E957 L959 R965E957-H961 WeakPolarHBondContact O-CB 3.46Å; E957-H961 PolarHBondContact O-N 3.45Å; L959-H961 PolarHBondContact O-N 3.01Å; H961-R965 VanDerWaalsContact O-CB 3.29Å; H961-R965 WeakPolarHBondContact O-CB 3.35Å; H961-R965 PolarHBondContact O-N 2.88Å; H961-R965 VanDerWaalsContact O-N 3.1Å
962T91.5Very high89Confident19 Ų1955.6 Ų55.612%0.11727%0.268CS..Hα-helixtrans-65.5-44.9178.2-650000111.7L919 Y922 P958 L959 I960 R965 G966L919-T962 HydrophobicContact CD2-CG2 3.75Å; Y922-T962 HydrophobicContact CD1-CG2 3.6Å; Y922-T962 HydrophobicContact CE1-CG2 4.38Å; Y922-T962 HydrophobicContact CG-CG2 4.42Å; P958-T962 WeakPolarHBondContact O-CB 3.45Å; P958-T962 PolarHBondContact O-N 2.95Å; P958-T962 PolarHBondContact O-OG1 3.42Å; P958-T962 VanDerWaalsContact O-OG1 3.04Å; L959-T962 PolarHBondContact O-N 3.16Å; I960-T962 PolarHBondContact O-N 3.02Å; T962-R965 PolarHBondContact O-N 2.63Å; T962-G966 PolarHBondContact O-N 3.18Å
963F92.5Very high89.1Confident0 Ų056.8 Ų56.80%028%0.278CS..Hα-helixtrans-69.6-45.1179.6-58.1-35.8000112.6Y922 L941 I945 L959 I960 R965 G966 V967 N981 L982 L985Y922-F963 HydrophobicContact CE1-CD1 4.14Å; Y922-F963 HydrophobicContact CE1-CE1 4.45Å; L941-F963 HydrophobicContact CB-CE1 4.44Å; L941-F963 HydrophobicContact CB-CZ 4.27Å; L941-F963 HydrophobicContact CD1-CE1 4.03Å; L941-F963 HydrophobicContact CD1-CZ 4.48Å; I945-F963 HydrophobicContact CD1-CE2 3.66Å; I945-F963 HydrophobicContact CD1-CZ 3.78Å; L959-F963 HydrophobicContact CB-CE2 4.04Å; L959-F963 HydrophobicContact CD2-CE2 3.91Å; L959-F963 HydrophobicContact CD2-CZ 3.77Å; L959-F963 WeakPolarHBondContact O-CD2 3.2Å; L959-F963 VanDerWaalsContact O-CG 3.31Å; L959-F963 WeakPolarHBondContact O-CG 3.37Å; L959-F963 PolarHBondContact O-N 2.67Å; I960-F963 PolarHBondContact O-N 2.83Å; F963-R965 PolarHBondContact O-N 3.11Å; F963-G966 PolarHBondContact O-N 2.94Å; F963-V967 WeakPolarHBondContact O-CG2 3.4Å; F963-V967 PolarHBondContact O-N 3.44Å; F963-N981 HydrophobicContact CD1-CB 3.8Å; F963-N981 HydrophobicContact CD2-CB 4.08Å; F963-N981 HydrophobicContact CE1-CB 3.61Å; F963-N981 HydrophobicContact CE2-CB 3.89Å; F963-N981 HydrophobicContact CG-CB 4.06Å; F963-N981 HydrophobicContact CZ-CB 3.67Å; F963-L982 HydrophobicContact CB-CB 4.22Å; F963-L982 HydrophobicContact CB-CD1 4.49Å; F963-L985 HydrophobicContact CD2-CD2 3.97Å; F963-L985 HydrophobicContact CE2-CD2 4.02Å
964L92.1Very high89.5Confident35 Ų3554.5 Ų54.518%0.18326%0.262CS..Hα-helixtrans-61.3-28.7176-70.7178.2000112.8I960 L982 C1003I960-L964 HydrophobicContact CG2-CD1 3.56Å; I960-L964 HydrophobicContact CG2-CG 4.1Å; I960-L964 WeakPolarHBondContact O-CB 2.98Å; I960-L964 WeakPolarHBondContact O-CG 3.4Å; I960-L964 PolarHBondContact O-N 2.92Å; L964-L982 HydrophobicContact CD2-CD2 3.84Å; L964-C1003 HydrophobicContact CD2-CB 3.97Å
965R90.5Very high89.8Confident136 Ų13649.7 Ų49.751%0.51324%0.24SC..Hα-helixtrans-75.4-40.3171.7-176.2164.2167.1-147.1-25.4112.3D923 H961 T962 F963 V967 R968D923-R965 VanDerWaalsContact CG-NH1 3.29Å; D923-R965 WeakPolarHBondContact OD1-CD 3.29Å; D923-R965 IonicContact OD1-CZ 2.71Å; D923-R965 IonicContact OD1-NE 2.99Å; D923-R965 PolarHBondContact OD1-NE 3.1Å; D923-R965 VanDerWaalsContact OD1-NE 3.1Å; D923-R965 IonicContact OD1-NH1 2.89Å; D923-R965 PolarHBondContact OD1-NH1 3.04Å; D923-R965 VanDerWaalsContact OD1-NH1 3.12Å; D923-R965 IonicContact OD1-NH2 3.92Å; D923-R965 PolarHBondContact OD1-NH2 3.19Å; D923-R965 VanDerWaalsContact OD1-NH2 3.12Å; D923-R965 IonicContact OD2-CZ 3.78Å; D923-R965 IonicContact OD2-NH1 2.67Å; D923-R965 PolarHBondContact OD2-NH1 3.1Å; D923-R965 IonicContact OD2-NH2 3.93Å; D923-R965 PolarHBondContact OD2-NH2 3.02Å; H961-R965 VanDerWaalsContact O-CB 3.29Å; H961-R965 WeakPolarHBondContact O-CB 3.35Å; H961-R965 PolarHBondContact O-N 2.88Å; H961-R965 VanDerWaalsContact O-N 3.1Å; T962-R965 PolarHBondContact O-N 2.63Å; F963-R965 PolarHBondContact O-N 3.11Å; R965-V967 VanDerWaalsContact C-N 3.25Å; R965-V967 PolarHBondContact O-N 3.48Å; R965-R968 WeakPolarHBondContact O-CB 3.46Å; R965-R968 PolarHBondContact O-N 2.98Å
966G88.8Confident90.1Very high6 Ų649.1 Ų49.16%0.06224%0.241CC..Hα-helixtrans-61.6-28.7174.600000114T962 F963 R968 D969 S978T962-G966 PolarHBondContact O-N 3.18Å; F963-G966 PolarHBondContact O-N 2.94Å; G966-R968 PolarHBondContact O-N 2.76Å; G966-R968 VanDerWaalsContact O-N 3.08Å; G966-D969 WeakPolarHBondContact O-CB 3.35Å; G966-D969 PolarHBondContact O-N 3.05Å; G966-D969 VanDerWaalsContact O-N 3.1Å; G966-S978 VanDerWaalsContact C-OG 3.23Å; G966-S978 VanDerWaalsContact CA-OG 3.29Å; G966-S978 WeakPolarHBondContact CA-OG 3.28Å
967V91.3Very high90.3Very high11 Ų1147.3 Ų47.37%0.06724%0.237CC..THydrogen-bonded Turntrans-61.5-13.2169.7178.80000113F963 R965 R975 L979 V1007F963-V967 WeakPolarHBondContact O-CG2 3.4Å; F963-V967 PolarHBondContact O-N 3.44Å; R965-V967 VanDerWaalsContact C-N 3.25Å; R965-V967 PolarHBondContact O-N 3.48Å; V967-R975 WeakPolarHBondContact O-CD 3.26Å; V967-R975 WeakPolarHBondContact O-CG 3.43Å; V967-L979 HydrophobicContact CG1-CD2 4.3Å; V967-L979 HydrophobicContact CG2-CD2 3.65Å; V967-L979 HydrophobicContact CG2-CG 3.88Å; V967-V1007 HydrophobicContact CG1-CG2 3.5Å; V967-V1007 VanDerWaalsContact CG1-CG2 3.5Å
968R89.4Confident90.5Very high222 Ų22242.5 Ų42.584%0.83822%0.215SC*.THydrogen-bonded Turntrans-102.48.4176.4-57-176.9-179.2-178.4-0.2114R965 G966R965-R968 WeakPolarHBondContact O-CB 3.46Å; R965-R968 PolarHBondContact O-N 2.98Å; G966-R968 PolarHBondContact O-N 2.76Å; G966-R968 VanDerWaalsContact O-N 3.08Å
969D88.6Confident90.8Very high24 Ų2439.4 Ų39.413%0.12820%0.195CC..  trans-70.7144.2178.9-161.2-91.6000111.7R934 G966 D971 H974 R975R934-D969 IonicContact CZ-OD1 2.91Å; R934-D969 IonicContact CZ-OD2 3.84Å; R934-D969 IonicContact NH1-OD1 3.69Å; R934-D969 IonicContact NH1-OD2 3.36Å; R934-D969 PolarHBondContact NH1-OD2 3.18Å; R934-D969 IonicContact NH2-OD1 3.03Å; R934-D969 PolarHBondContact NH2-OD1 2.79Å; R934-D969 IonicContact NH2-OD2 3.3Å; R934-D969 PolarHBondContact NH2-OD2 2.89Å; G966-D969 WeakPolarHBondContact O-CB 3.35Å; G966-D969 PolarHBondContact O-N 3.05Å; G966-D969 VanDerWaalsContact O-N 3.1Å; D969-D971 PolarHBondContact O-N 2.91Å; D969-D971 WeakPolarHBondContact OD1-CB 3.23Å; D969-D971 PolarHBondContact OD1-N 3.41Å; D969-H974 HydrophobicContact CB-CB 4.39Å; D969-R975 HydrophobicContact CB-CG 4.46Å; D969-R975 VanDerWaalsContact O-CD 3.26Å; D969-R975 WeakPolarHBondContact O-CD 3.27Å; D969-R975 VanDerWaalsContact O-CG 3.23Å; D969-R975 WeakPolarHBondContact O-CG 3.36Å; D969-R975 PolarHBondContact O-NH1 2.91Å
970P86.6Confident90.9Very high86 Ų8641.5 Ų41.556%0.55821%0.212SC*.SBendtrans-60.7-29.5174.726.5-39.2000113.7G972 R975P970-G972 PolarHBondContact O-N 3.09Å; P970-R975 VanDerWaalsContact C-NH1 3.33Å; P970-R975 PolarHBondContact O-NH1 3.43Å
971D88.1Confident90.9Very high48 Ų4841.4 Ų41.426%0.25721%0.212SC..  trans-78.6119.2179.7174.525000111.5P931 D969 A973 H974 R975P931-D971 VanDerWaalsContact CB-OD2 3.31Å; P931-D971 WeakPolarHBondContact CB-OD2 3.35Å; D969-D971 PolarHBondContact O-N 2.91Å; D969-D971 WeakPolarHBondContact OD1-CB 3.23Å; D969-D971 PolarHBondContact OD1-N 3.41Å; D971-A973 VanDerWaalsContact C-N 3.27Å; D971-A973 PolarHBondContact O-N 3.38Å; D971-A973 PolarHBondContact OD1-N 3.43Å; D971-H974 HydrophobicContact CB-CB 4.13Å; D971-H974 PolarHBondContact O-N 2.95Å; D971-H974 PolarHBondContact OD2-N 3.13Å; D971-R975 PolarHBondContact O-N 3.41Å
972G89.3Confident91.1Very high12 Ų1235 Ų3512%0.12418%0.182CC..Hα-helixtrans-61.6-33.3178.600000113.2P970 R975 A976 V1016P970-G972 PolarHBondContact O-N 3.09Å; G972-R975 PolarHBondContact O-N 3.22Å; G972-A976 WeakPolarHBondContact O-CB 3.03Å; G972-A976 PolarHBondContact O-N 3.05Å; G972-V1016 VanDerWaalsContact O-CG2 3.24Å; G972-V1016 WeakPolarHBondContact O-CG2 3.43Å
973A88.6Confident91.1Very high27 Ų2734.1 Ų34.122%0.22318%0.177CC..Hα-helixtrans-69.6-38.7179.200000111.4M935 D971 S977M935-A973 HydrophobicContact CE-CB 3.83Å; M935-A973 HydrophobicContact SD-CB 3.52Å; M935-A973 VanDerWaalsContact SD-CB 3.52Å; D971-A973 VanDerWaalsContact C-N 3.27Å; D971-A973 PolarHBondContact O-N 3.38Å; D971-A973 PolarHBondContact OD1-N 3.43Å; A973-S977 WeakPolarHBondContact O-CB 3.38Å; A973-S977 PolarHBondContact O-N 3.48Å
974H90.2Very high91Very high4 Ų434.6 Ų34.62%0.01918%0.179CC..Hα-helixtrans-67.7-39.1172.3-168.782.9000112.9Y922 D969 D971 S977 S978Y922-H974 AromaticContact CD1-CE1 3.94Å; Y922-H974 AromaticContact CD2-CE1 3.9Å; Y922-H974 AromaticContact CE1-CE1 3.56Å; Y922-H974 AromaticContact CE1-NE2 3.6Å; Y922-H974 AromaticContact CE2-CE1 3.49Å; Y922-H974 VanDerWaalsContact CE2-CE1 3.49Å; Y922-H974 WeakPolarHBondContact CE2-CE1 3.41Å; Y922-H974 AromaticContact CZ-CE1 3.34Å; Y922-H974 AromaticContact CZ-NE2 3.75Å; D969-H974 HydrophobicContact CB-CB 4.39Å; D971-H974 HydrophobicContact CB-CB 4.13Å; D971-H974 PolarHBondContact O-N 2.95Å; D971-H974 PolarHBondContact OD2-N 3.13Å; H974-S977 PolarHBondContact O-N 3.3Å; H974-S978 WeakPolarHBondContact O-CB 3.47Å; H974-S978 PolarHBondContact O-N 2.85Å; H974-S978 PolarHBondContact O-OG 2.94Å
975R92.6Very high91Very high24 Ų2432.9 Ų32.99%0.09117%0.17CC..Hα-helixtrans-60.4-47172.4-67-161.3-60.6-74.84.5111.8V967 D969 P970 D971 G972 S978 L979 D1011 V1016V967-R975 WeakPolarHBondContact O-CD 3.26Å; V967-R975 WeakPolarHBondContact O-CG 3.43Å; D969-R975 HydrophobicContact CB-CG 4.46Å; D969-R975 VanDerWaalsContact O-CD 3.26Å; D969-R975 WeakPolarHBondContact O-CD 3.27Å; D969-R975 VanDerWaalsContact O-CG 3.23Å; D969-R975 WeakPolarHBondContact O-CG 3.36Å; D969-R975 PolarHBondContact O-NH1 2.91Å; P970-R975 VanDerWaalsContact C-NH1 3.33Å; P970-R975 PolarHBondContact O-NH1 3.43Å; D971-R975 PolarHBondContact O-N 3.41Å; G972-R975 PolarHBondContact O-N 3.22Å; R975-S978 WeakPolarHBondContact O-CB 3.4Å; R975-S978 PolarHBondContact O-N 3.16Å; R975-L979 WeakPolarHBondContact O-CG 3.41Å; R975-L979 PolarHBondContact O-N 2.88Å; R975-D1011 IonicContact CZ-OD1 2.74Å; R975-D1011 IonicContact CZ-OD2 2.67Å; R975-D1011 IonicContact NE-OD1 3.54Å; R975-D1011 IonicContact NE-OD2 2.74Å; R975-D1011 PolarHBondContact NE-OD2 2.94Å; R975-D1011 IonicContact NH2-OD1 3.3Å; R975-D1011 PolarHBondContact NH2-OD1 3.05Å; R975-D1011 IonicContact NH2-OD2 2.99Å; R975-D1011 PolarHBondContact NH2-OD2 2.81Å; R975-V1016 HydrophobicContact CB-CG1 3.81Å; R975-V1016 HydrophobicContact CB-CG2 3.93Å
976A92.5Very high90.9Very high16 Ų1626.4 Ų26.413%0.13215%0.145CC..Hα-helixtrans-62.8-42177.700000112.3G972 L979 A980 V1016 A1019G972-A976 WeakPolarHBondContact O-CB 3.03Å; G972-A976 PolarHBondContact O-N 3.05Å; A976-L979 PolarHBondContact O-N 3.21Å; A976-A980 PolarHBondContact O-N 3.03Å; A976-V1016 HydrophobicContact CB-CG2 4.22Å; A976-A1019 HydrophobicContact CB-CB 4.35Å
977S92.3Very high90.9Very high19 Ų1929.1 Ų29.113%0.13316%0.157CC..Hα-helixtrans-61.3-42173.1174.70000112.2Y922 A973 H974 L979 A980 N981Y922-S977 PolarHBondContact OH-OG 3.43Å; A973-S977 WeakPolarHBondContact O-CB 3.38Å; A973-S977 PolarHBondContact O-N 3.48Å; H974-S977 PolarHBondContact O-N 3.3Å; S977-L979 VanDerWaalsContact C-N 3.33Å; S977-L979 PolarHBondContact O-N 3.03Å; S977-A980 PolarHBondContact O-N 3.37Å; S977-N981 WeakPolarHBondContact O-CB 3.47Å; S977-N981 PolarHBondContact O-N 2.94Å; S977-N981 PolarHBondContact O-OD1 3.4Å
978S93.9Very high90.7Very high0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-61.8-40.6177.5-60.40000112Y922 G966 H974 R975 L982Y922-S978 WeakPolarHBondContact OH-CA 3.47Å; Y922-S978 PolarHBondContact OH-N 3.39Å; Y922-S978 PolarHBondContact OH-OG 2.93Å; G966-S978 VanDerWaalsContact C-OG 3.23Å; G966-S978 VanDerWaalsContact CA-OG 3.29Å; G966-S978 WeakPolarHBondContact CA-OG 3.28Å; H974-S978 WeakPolarHBondContact O-CB 3.47Å; H974-S978 PolarHBondContact O-N 2.85Å; H974-S978 PolarHBondContact O-OG 2.94Å; R975-S978 WeakPolarHBondContact O-CB 3.4Å; R975-S978 PolarHBondContact O-N 3.16Å; S978-L982 WeakPolarHBondContact O-CB 3.22Å; S978-L982 PolarHBondContact O-N 3.21Å
979L94.8Very high90.4Very high0 Ų021.9 Ų21.90%013%0.128CC..Hα-helixtrans-67.9-43.5175.7-68.3163.5000112V967 R975 A976 S977 N981 L982 G983 L1004 V1007 V1016 A1019 A1020 V1023V967-L979 HydrophobicContact CG1-CD2 4.3Å; V967-L979 HydrophobicContact CG2-CD2 3.65Å; V967-L979 HydrophobicContact CG2-CG 3.88Å; R975-L979 WeakPolarHBondContact O-CG 3.41Å; R975-L979 PolarHBondContact O-N 2.88Å; A976-L979 PolarHBondContact O-N 3.21Å; S977-L979 VanDerWaalsContact C-N 3.33Å; S977-L979 PolarHBondContact O-N 3.03Å; L979-N981 VanDerWaalsContact C-N 3.29Å; L979-N981 PolarHBondContact O-N 3.44Å; L979-L982 WeakPolarHBondContact O-CB 3.4Å; L979-L982 PolarHBondContact O-N 3.29Å; L979-G983 PolarHBondContact O-N 2.96Å; L979-L1004 HydrophobicContact CD2-CD2 3.98Å; L979-V1007 HydrophobicContact CD1-CG1 3.94Å; L979-V1016 HydrophobicContact CD1-CG1 3.47Å; L979-V1016 VanDerWaalsContact CD1-CG1 3.47Å; L979-V1016 WeakPolarHBondContact CD1-O 3.37Å; L979-A1019 HydrophobicContact CB-CB 3.88Å; L979-A1019 HydrophobicContact CD1-CB 4.03Å; L979-A1020 HydrophobicContact CD1-CB 4.16Å; L979-V1023 HydrophobicContact CB-CG2 4.25Å; L979-V1023 WeakPolarHBondContact O-CG2 3.41Å
980A92.7Very high90.1Very high45 Ų4523.3 Ų23.337%0.37214%0.136SC..Hα-helixtrans-59.3-41.8176.100000111.8A976 S977 G983 E984A976-A980 PolarHBondContact O-N 3.03Å; S977-A980 PolarHBondContact O-N 3.37Å; A980-G983 PolarHBondContact O-N 3.47Å; A980-E984 PolarHBondContact O-N 2.89Å; A980-E984 VanDerWaalsContact O-N 3.12Å
981N93.2Very high89.8Confident2 Ų224.6 Ų24.61%0.01113%0.133CC..Hα-helixtrans-66.2-39.9175.8-68.5-2.2000112.5G938 M942 F963 S977 L979 G983 L985G938-N981 WeakPolarHBondContact CA-ND2 3.32Å; G938-N981 PolarHBondContact O-ND2 3.3Å; G938-N981 PolarHBondContact O-OD1 3.38Å; M942-N981 WeakPolarHBondContact CB-OD1 3.47Å; F963-N981 HydrophobicContact CD1-CB 3.8Å; F963-N981 HydrophobicContact CD2-CB 4.08Å; F963-N981 HydrophobicContact CE1-CB 3.61Å; F963-N981 HydrophobicContact CE2-CB 3.89Å; F963-N981 HydrophobicContact CG-CB 4.06Å; F963-N981 HydrophobicContact CZ-CB 3.67Å; S977-N981 WeakPolarHBondContact O-CB 3.47Å; S977-N981 PolarHBondContact O-N 2.94Å; S977-N981 PolarHBondContact O-OD1 3.4Å; L979-N981 VanDerWaalsContact C-N 3.29Å; L979-N981 PolarHBondContact O-N 3.44Å; N981-G983 VanDerWaalsContact C-N 3.33Å; N981-L985 WeakPolarHBondContact O-CB 3.39Å; N981-L985 PolarHBondContact O-N 3.11Å; N981-L985 VanDerWaalsContact O-N 3.08Å
982L93.9Very high89.3Confident0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-63.2-38.8173.4-175.563.7000111.5F963 L964 S978 L979 L985 C986 V1000F963-L982 HydrophobicContact CB-CB 4.22Å; F963-L982 HydrophobicContact CB-CD1 4.49Å; L964-L982 HydrophobicContact CD2-CD2 3.84Å; S978-L982 WeakPolarHBondContact O-CB 3.22Å; S978-L982 PolarHBondContact O-N 3.21Å; L979-L982 WeakPolarHBondContact O-CB 3.4Å; L979-L982 PolarHBondContact O-N 3.29Å; L982-L985 WeakPolarHBondContact O-CB 3.38Å; L982-L985 PolarHBondContact O-N 3.15Å; L982-C986 WeakPolarHBondContact O-CB 3.46Å; L982-C986 PolarHBondContact O-N 3.41Å; L982-C986 PolarHBondContact O-SG 3.26Å; L982-V1000 HydrophobicContact CD1-CG2 4.48Å; L982-V1000 HydrophobicContact CD2-CG1 4.39Å
983G91.6Very high88.9Confident0 Ų025.8 Ų25.80%014%0.136CC..Hα-helixtrans-63.3-48.9176.600000113.5L979 A980 N981 L985 C986 Q987L979-G983 PolarHBondContact O-N 2.96Å; A980-G983 PolarHBondContact O-N 3.47Å; N981-G983 VanDerWaalsContact C-N 3.33Å; G983-L985 VanDerWaalsContact C-N 3.25Å; G983-L985 PolarHBondContact O-N 2.75Å; G983-C986 PolarHBondContact O-N 3.34Å; G983-Q987 WeakPolarHBondContact O-CB 3.21Å; G983-Q987 PolarHBondContact O-N 2.91Å
984E91.4Very high88.5Confident9 Ų926.3 Ų26.34%0.04214%0.144CC..Hα-helixtrans-61.6-34.3175.1-17770.4-140.600112.1M942 I945 R946 A980 R988M942-E984 HydrophobicContact CG-CB 4.35Å; M942-E984 HydrophobicContact CG-CG 4.28Å; I945-E984 HydrophobicContact CB-CG 4.38Å; I945-E984 HydrophobicContact CG2-CG 3.84Å; R946-E984 VanDerWaalsContact CG-CD 3.49Å; R946-E984 HydrophobicContact CG-CG 3.96Å; R946-E984 VanDerWaalsContact CG-OE1 3.23Å; R946-E984 WeakPolarHBondContact CG-OE1 3.45Å; R946-E984 IonicContact CZ-OE2 3.77Å; R946-E984 VanDerWaalsContact NE-CD 3.28Å; R946-E984 IonicContact NE-OE1 2.88Å; R946-E984 IonicContact NE-OE2 3.82Å; R946-E984 PolarHBondContact NE-OE2 3.04Å; R946-E984 IonicContact NH2-OE2 2.8Å; R946-E984 PolarHBondContact NH2-OE2 2.81Å; A980-E984 PolarHBondContact O-N 2.89Å; A980-E984 VanDerWaalsContact O-N 3.12Å; E984-R988 WeakPolarHBondContact O-CD 3.44Å; E984-R988 IonicContact OE1-CZ 3.81Å; E984-R988 IonicContact OE1-NE 2.68Å; E984-R988 PolarHBondContact OE1-NE 3.43Å; E984-R988 IonicContact OE1-NH2 2.6Å; E984-R988 PolarHBondContact OE1-NH2 3.47Å
985L91.6Very high88.2Confident0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-68.9-51.9174.5178.659.4000111.9I945 V952 L959 I960 F963 N981 L982 G983 Q987 R988 L989I945-L985 HydrophobicContact CD1-CB 4.37Å; V952-L985 HydrophobicContact CG1-CD1 3.28Å; L959-L985 HydrophobicContact CB-CD2 3.64Å; L959-L985 HydrophobicContact CD1-CD1 4.17Å; I960-L985 HydrophobicContact CG1-CD2 3.64Å; F963-L985 HydrophobicContact CD2-CD2 3.97Å; F963-L985 HydrophobicContact CE2-CD2 4.02Å; N981-L985 WeakPolarHBondContact O-CB 3.39Å; N981-L985 PolarHBondContact O-N 3.11Å; N981-L985 VanDerWaalsContact O-N 3.08Å; L982-L985 WeakPolarHBondContact O-CB 3.38Å; L982-L985 PolarHBondContact O-N 3.15Å; G983-L985 VanDerWaalsContact C-N 3.25Å; G983-L985 PolarHBondContact O-N 2.75Å; L985-Q987 PolarHBondContact O-N 2.83Å; L985-R988 PolarHBondContact O-N 2.97Å; L985-L989 HydrophobicContact CD1-CD1 4.14Å; L985-L989 HydrophobicContact CD1-CD2 4.37Å; L985-L989 HydrophobicContact CD1-CG 4.18Å; L985-L989 HydrophobicContact CG-CD1 3.94Å; L985-L989 HydrophobicContact CG-CG 4.41Å; L985-L989 WeakPolarHBondContact O-CG 3.42Å; L985-L989 PolarHBondContact O-N 2.77Å
986C88.8Confident87.9Confident0 Ų029.8 Ų29.80%017%0.171CC..Hα-helixtrans-60.3-34.2-179.6-73.20000112.4L982 G983 R988 L989 L993 L1027L982-C986 WeakPolarHBondContact O-CB 3.46Å; L982-C986 PolarHBondContact O-N 3.41Å; L982-C986 PolarHBondContact O-SG 3.26Å; G983-C986 PolarHBondContact O-N 3.34Å; C986-R988 PolarHBondContact O-N 3.02Å; C986-R988 VanDerWaalsContact O-N 3.16Å; C986-L989 PolarHBondContact O-N 2.95Å; C986-L993 HydrophobicContact CB-CD1 4.18Å; C986-L1027 HydrophobicContact CB-CD1 4.06Å
987Q88.4Confident87.7Confident63 Ų6329.3 Ų29.329%0.29417%0.167SC..THydrogen-bonded Turntrans-59.8-22.1175-169.4179.3-1.600113.5G983 L985G983-Q987 WeakPolarHBondContact O-CB 3.21Å; G983-Q987 PolarHBondContact O-N 2.91Å; L985-Q987 PolarHBondContact O-N 2.83Å
988R86.2Confident87.6Confident78 Ų7833.5 Ų33.529%0.29418%0.184SC..THydrogen-bonded Turntrans-110-8.9-172.6-65.6168.7-179.1-97.5-20.1114.8I945 R946 E984 L985 C986I945-R988 PolarHBondContact O-NE 3.17Å; I945-R988 PolarHBondContact O-NH1 2.94Å; R946-R988 VanDerWaalsContact CA-CZ 3.49Å; R946-R988 PolarHBondContact O-NH1 3.45Å; E984-R988 WeakPolarHBondContact O-CD 3.44Å; E984-R988 IonicContact OE1-CZ 3.81Å; E984-R988 IonicContact OE1-NE 2.68Å; E984-R988 PolarHBondContact OE1-NE 3.43Å; E984-R988 IonicContact OE1-NH2 2.6Å; E984-R988 PolarHBondContact OE1-NH2 3.47Å; L985-R988 PolarHBondContact O-N 2.97Å; C986-R988 PolarHBondContact O-N 3.02Å; C986-R988 VanDerWaalsContact O-N 3.16Å
989L82.6Confident87.4Confident3 Ų338.6 Ų38.62%0.01621%0.208CC..  trans-82.7-16.3-175-74.2173000113.4R956 I960 L985 C986 F991 L992 L993R956-L989 HydrophobicContact CB-CD2 3.81Å; I960-L989 HydrophobicContact CD1-CD1 3.94Å; L985-L989 HydrophobicContact CD1-CD1 4.14Å; L985-L989 HydrophobicContact CD1-CD2 4.37Å; L985-L989 HydrophobicContact CD1-CG 4.18Å; L985-L989 HydrophobicContact CG-CD1 3.94Å; L985-L989 HydrophobicContact CG-CG 4.41Å; L985-L989 WeakPolarHBondContact O-CG 3.42Å; L985-L989 PolarHBondContact O-N 2.77Å; C986-L989 PolarHBondContact O-N 2.95Å; L989-F991 PolarHBondContact O-N 2.93Å; L989-L992 HydrophobicContact CB-CB 4.42Å; L989-L992 HydrophobicContact CD2-CB 4.38Å; L989-L992 WeakPolarHBondContact O-CA 3.49Å; L989-L992 WeakPolarHBondContact O-CB 3.11Å; L989-L992 PolarHBondContact O-N 3.4Å; L989-L993 HydrophobicContact CB-CB 4.16Å; L989-L993 HydrophobicContact CD1-CD1 4.14Å
990D82.9Confident87.2Confident53 Ų5338.7 Ų38.728%0.28321%0.209SC..G310 helixtrans46.2-128.4-177.5-83.8-8.4000111.3L992 L993 K1034D990-L992 PolarHBondContact O-N 2.96Å; D990-L993 VanDerWaalsContact O-CB 3.27Å; D990-L993 WeakPolarHBondContact O-CB 3.5Å; D990-L993 PolarHBondContact O-N 3.18Å; D990-K1034 VanDerWaalsContact CG-NZ 3.25Å; D990-K1034 IonicContact OD1-NZ 3.53Å; D990-K1034 PolarHBondContact OD1-NZ 2.89Å; D990-K1034 IonicContact OD2-NZ 3.51Å; D990-K1034 PolarHBondContact OD2-NZ 3.42Å
991F79.8Confident87.2Confident114 Ų11436.8 Ų36.850%0.519%0.192SC..G310 helixtrans-63.4-22.3176.8-64.3-78.4000113.8L989 L993 G994 K1034 E1037 V1038L989-F991 PolarHBondContact O-N 2.93Å; F991-L993 PolarHBondContact O-N 3.08Å; F991-G994 PolarHBondContact O-N 3.42Å; F991-K1034 HydrophobicContact CD2-CD 4.39Å; F991-K1034 HydrophobicContact CE2-CD 3.72Å; F991-K1034 HydrophobicContact CE2-CG 4.18Å; F991-K1034 HydrophobicContact CZ-CB 4.24Å; F991-K1034 HydrophobicContact CZ-CD 4.01Å; F991-K1034 HydrophobicContact CZ-CG 3.95Å; F991-E1037 WeakPolarHBondContact CE1-OE2 3.46Å; F991-V1038 HydrophobicContact CD1-CG2 3.45Å; F991-V1038 VanDerWaalsContact CD1-CG2 3.45Å; F991-V1038 HydrophobicContact CE1-CG2 3.77Å; F991-V1038 HydrophobicContact CG-CG2 4.18Å
992L77.8Confident87.2Confident83 Ų8339.6 Ų39.644%0.43522%0.215SC..G310 helixtrans-69-13.6177.4-55.6174.2000112.6S953 R956 L989 D990 G994S953-L992 VanDerWaalsContact CB-CD1 3.48Å; R956-L992 PolarHBondContact NH1-O 3.19Å; R956-L992 VanDerWaalsContact NH1-O 3.15Å; L989-L992 HydrophobicContact CB-CB 4.42Å; L989-L992 HydrophobicContact CD2-CB 4.38Å; L989-L992 WeakPolarHBondContact O-CA 3.49Å; L989-L992 WeakPolarHBondContact O-CB 3.11Å; L989-L992 PolarHBondContact O-N 3.4Å; D990-L992 PolarHBondContact O-N 2.96Å; L992-G994 VanDerWaalsContact C-N 3.27Å
993L82.1Confident87.2Confident1 Ų140.8 Ų40.81%0.00522%0.223CC..G310 helixtrans-66.5-29.7169.6-168.676.5000111.7C986 L989 D990 F991 S995 V996 V997 L1027 L1031 V1038 L1039C986-L993 HydrophobicContact CB-CD1 4.18Å; L989-L993 HydrophobicContact CB-CB 4.16Å; L989-L993 HydrophobicContact CD1-CD1 4.14Å; D990-L993 VanDerWaalsContact O-CB 3.27Å; D990-L993 WeakPolarHBondContact O-CB 3.5Å; D990-L993 PolarHBondContact O-N 3.18Å; F991-L993 PolarHBondContact O-N 3.08Å; L993-S995 PolarHBondContact O-N 3.36Å; L993-V996 HydrophobicContact CD1-CG2 4.04Å; L993-V996 HydrophobicContact CG-CG2 4.45Å; L993-V996 WeakPolarHBondContact O-CG2 3.49Å; L993-V996 PolarHBondContact O-N 3.4Å; L993-V997 HydrophobicContact CB-CG2 4.42Å; L993-V997 HydrophobicContact CD2-CG2 3.98Å; L993-V997 HydrophobicContact CG-CG2 3.87Å; L993-V997 WeakPolarHBondContact O-CG2 3.32Å; L993-V997 PolarHBondContact O-N 2.9Å; L993-L1027 HydrophobicContact CD2-CD1 3.39Å; L993-L1031 HydrophobicContact CD2-CD1 4.37Å; L993-V1038 HydrophobicContact CB-CG1 4.41Å; L993-L1039 HydrophobicContact CD2-CD2 4.36Å
994G79.6Confident87.3Confident39 Ų3940.8 Ų40.840%0.40222%0.223SC..G310 helixtrans-46-40-170.200000115.2F991 L992 V996F991-G994 PolarHBondContact O-N 3.42Å; L992-G994 VanDerWaalsContact C-N 3.27Å; G994-V996 VanDerWaalsContact C-N 3.25Å; G994-V996 PolarHBondContact O-N 3.14Å
995S83.1Confident87.4Confident75 Ų7542.1 Ų42.152%0.52423%0.231SC..G310 helixtrans-74.7-5.3-179.364.90000115.6R956 L993R956-S995 PolarHBondContact NH1-OG 3.49Å; L993-S995 PolarHBondContact O-N 3.36Å
996V86.1Confident87.5Confident25 Ų2544.4 Ų44.415%0.15225%0.249CC..G310 helixtrans-134.57.2-176.8-66.10000113.2I960 L993 G994 H998 E999 V1000I960-V996 HydrophobicContact CD1-CG1 4.39Å; I960-V996 HydrophobicContact CD1-CG2 3.9Å; L993-V996 HydrophobicContact CD1-CG2 4.04Å; L993-V996 HydrophobicContact CG-CG2 4.45Å; L993-V996 WeakPolarHBondContact O-CG2 3.49Å; L993-V996 PolarHBondContact O-N 3.4Å; G994-V996 VanDerWaalsContact C-N 3.25Å; G994-V996 PolarHBondContact O-N 3.14Å; V996-H998 VanDerWaalsContact C-N 3.29Å; V996-H998 PolarHBondContact O-N 3.28Å; V996-E999 VanDerWaalsContact CA-OE2 3.32Å; V996-E999 WeakPolarHBondContact CA-OE2 3.45Å; V996-E999 PolarHBondContact O-N 3.47Å; V996-V1000 WeakPolarHBondContact O-CG2 3.35Å; V996-V1000 PolarHBondContact O-N 3.25Å
997V88.8Confident87.8Confident7 Ų745 Ų454%0.04225%0.253CS..Hα-helixtrans-58.8-40.8-176.3173.30000111.4L993 T1001 V1038 L1039 V1042L993-V997 HydrophobicContact CB-CG2 4.42Å; L993-V997 HydrophobicContact CD2-CG2 3.98Å; L993-V997 HydrophobicContact CG-CG2 3.87Å; L993-V997 WeakPolarHBondContact O-CG2 3.32Å; L993-V997 PolarHBondContact O-N 2.9Å; V997-T1001 WeakPolarHBondContact O-CB 3.23Å; V997-T1001 PolarHBondContact O-N 3.21Å; V997-T1001 PolarHBondContact O-OG1 2.75Å; V997-V1038 HydrophobicContact CG2-CG1 4.33Å; V997-L1039 HydrophobicContact CG1-CD2 3.87Å; V997-L1039 HydrophobicContact CG2-CD2 4.39Å; V997-V1042 HydrophobicContact CG1-CB 4.21Å; V997-V1042 HydrophobicContact CG1-CG1 3.84Å; V997-V1042 HydrophobicContact CG1-CG2 3.29Å
998H89.7Confident88Confident106 Ų10642.2 Ų42.249%0.49124%0.241SC..Hα-helixtrans-69.1-43.6-178.2-70.2-70.2000112V996 T1001 A1002 V1042V996-H998 VanDerWaalsContact C-N 3.29Å; V996-H998 PolarHBondContact O-N 3.28Å; H998-T1001 PolarHBondContact O-N 3.29Å; H998-A1002 WeakPolarHBondContact O-CB 3.4Å; H998-A1002 PolarHBondContact O-N 2.91Å; H998-V1042 WeakPolarHBondContact ND1-CG1 3.35Å
999E90.8Very high88.2Confident108 Ų10843.5 Ų43.551%0.50525%0.249SC..Hα-helixtrans-64.4-45.1178.4-67.680.6175.800111.6V996 C1003V996-E999 VanDerWaalsContact CA-OE2 3.32Å; V996-E999 WeakPolarHBondContact CA-OE2 3.45Å; V996-E999 PolarHBondContact O-N 3.47Å; E999-C1003 VanDerWaalsContact O-CB 3.24Å; E999-C1003 WeakPolarHBondContact O-CB 3.34Å; E999-C1003 PolarHBondContact O-N 3.07Å
1000V91.4Very high88.6Confident2 Ų248.7 Ų48.71%0.01228%0.281CS..Hα-helixtrans-63.9-49.2175.8173.10000110.1L982 V996 A1002 C1003 L1004L982-V1000 HydrophobicContact CD1-CG2 4.48Å; L982-V1000 HydrophobicContact CD2-CG1 4.39Å; V996-V1000 WeakPolarHBondContact O-CG2 3.35Å; V996-V1000 PolarHBondContact O-N 3.25Å; V1000-A1002 PolarHBondContact O-N 3.44Å; V1000-C1003 WeakPolarHBondContact O-CB 3.19Å; V1000-C1003 PolarHBondContact O-N 3.05Å; V1000-L1004 HydrophobicContact CG1-CD1 3.99Å; V1000-L1004 HydrophobicContact CG1-CG 4.39Å; V1000-L1004 WeakPolarHBondContact O-CG 3.46Å; V1000-L1004 PolarHBondContact O-N 3.39Å
1001T91.6Very high89.1Confident5 Ų547.3 Ų47.33%0.03127%0.273CS..Hα-helixtrans-64.4-44.2-177.5-57.80000112.3V997 H998 C1003 L1004 I1005 V1042 L1046V997-T1001 WeakPolarHBondContact O-CB 3.23Å; V997-T1001 PolarHBondContact O-N 3.21Å; V997-T1001 PolarHBondContact O-OG1 2.75Å; H998-T1001 PolarHBondContact O-N 3.29Å; T1001-C1003 VanDerWaalsContact C-N 3.3Å; T1001-C1003 PolarHBondContact O-N 3.24Å; T1001-L1004 PolarHBondContact O-N 2.8Å; T1001-I1005 HydrophobicContact CG2-CD1 3.7Å; T1001-I1005 HydrophobicContact CG2-CG1 4.33Å; T1001-I1005 VanDerWaalsContact O-CG1 3.3Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; T1001-I1005 PolarHBondContact O-N 3.28Å; T1001-V1042 HydrophobicContact CG2-CB 4.1Å; T1001-V1042 HydrophobicContact CG2-CG1 4.47Å; T1001-V1042 HydrophobicContact CG2-CG2 4.46Å; T1001-L1046 HydrophobicContact CG2-CD2 3.68Å; T1001-L1046 HydrophobicContact CG2-CG 3.92Å
1002A93.1Very high89.6Confident60 Ų6046.4 Ų46.450%0.49628%0.281SS..Hα-helixtrans-62-38.3175.600000112H998 V1000 A1006H998-A1002 WeakPolarHBondContact O-CB 3.4Å; H998-A1002 PolarHBondContact O-N 2.91Å; V1000-A1002 PolarHBondContact O-N 3.44Å; A1002-A1006 VanDerWaalsContact O-CB 3.31Å; A1002-A1006 WeakPolarHBondContact O-CB 3.42Å; A1002-A1006 PolarHBondContact O-N 2.86Å
1003C94Very high90.3Very high25 Ų2546.9 Ų46.917%0.16928%0.281CS..Hα-helixtrans-61.2-49.5173.4-171.70000111.5L964 E999 V1000 T1001 I1005 A1006 V1007L964-C1003 HydrophobicContact CD2-CB 3.97Å; E999-C1003 VanDerWaalsContact O-CB 3.24Å; E999-C1003 WeakPolarHBondContact O-CB 3.34Å; E999-C1003 PolarHBondContact O-N 3.07Å; V1000-C1003 WeakPolarHBondContact O-CB 3.19Å; V1000-C1003 PolarHBondContact O-N 3.05Å; T1001-C1003 VanDerWaalsContact C-N 3.3Å; T1001-C1003 PolarHBondContact O-N 3.24Å; C1003-I1005 PolarHBondContact O-N 2.8Å; C1003-A1006 PolarHBondContact O-N 2.96Å; C1003-V1007 VanDerWaalsContact O-CG2 3.29Å; C1003-V1007 WeakPolarHBondContact O-CG2 3.48Å; C1003-V1007 PolarHBondContact O-N 2.98Å
1004L94.4Very high90.8Very high0 Ų049.2 Ų49.20%030%0.295CS..Hα-helixtrans-62.9-43.5179.7-63.9175.1000112.4L979 V1000 T1001 V1007 A1008 A1020 V1023 V1024L979-L1004 HydrophobicContact CD2-CD2 3.98Å; V1000-L1004 HydrophobicContact CG1-CD1 3.99Å; V1000-L1004 HydrophobicContact CG1-CG 4.39Å; V1000-L1004 WeakPolarHBondContact O-CG 3.46Å; V1000-L1004 PolarHBondContact O-N 3.39Å; T1001-L1004 PolarHBondContact O-N 2.8Å; L1004-V1007 PolarHBondContact O-N 3.29Å; L1004-A1008 WeakPolarHBondContact O-CB 3.46Å; L1004-A1008 PolarHBondContact O-N 2.91Å; L1004-A1020 HydrophobicContact CD2-CB 4.15Å; L1004-V1023 HydrophobicContact CD1-CB 4.06Å; L1004-V1023 HydrophobicContact CD1-CG1 3.58Å; L1004-V1023 HydrophobicContact CD2-CB 3.74Å; L1004-V1023 HydrophobicContact CD2-CG1 3.85Å; L1004-V1023 HydrophobicContact CD2-CG2 4.09Å; L1004-V1023 HydrophobicContact CG-CG1 4.33Å; L1004-V1024 HydrophobicContact CD1-CG2 4.06Å
1005I93.6Very high91.4Very high37 Ų3753.1 Ų53.119%0.1930%0.303CS..Hα-helixtrans-60.9-45.8176.1-68.7165.4000110.9T1001 C1003 K1009 D1045 L1049T1001-I1005 HydrophobicContact CG2-CD1 3.7Å; T1001-I1005 HydrophobicContact CG2-CG1 4.33Å; T1001-I1005 VanDerWaalsContact O-CG1 3.3Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; T1001-I1005 PolarHBondContact O-N 3.28Å; C1003-I1005 PolarHBondContact O-N 2.8Å; I1005-K1009 HydrophobicContact CG2-CD 4.19Å; I1005-K1009 WeakPolarHBondContact O-CB 3.05Å; I1005-K1009 WeakPolarHBondContact O-CG 3.37Å; I1005-K1009 PolarHBondContact O-N 3.13Å; I1005-D1045 HydrophobicContact CD1-CB 3.95Å; I1005-L1049 HydrophobicContact CB-CD2 4.49Å; I1005-L1049 HydrophobicContact CG1-CB 4.33Å; I1005-L1049 HydrophobicContact CG1-CD1 4.35Å; I1005-L1049 HydrophobicContact CG1-CD2 3.84Å; I1005-L1049 HydrophobicContact CG1-CG 4.39Å; I1005-L1049 HydrophobicContact CG2-CD1 4.44Å
1006A93.5Very high91.9Very high48 Ų4849.6 Ų49.640%0.39728%0.278SS..Hα-helixtrans-63.1-49.9179.500000111.4A1002 C1003 K1009 T1010A1002-A1006 VanDerWaalsContact O-CB 3.31Å; A1002-A1006 WeakPolarHBondContact O-CB 3.42Å; A1002-A1006 PolarHBondContact O-N 2.86Å; C1003-A1006 PolarHBondContact O-N 2.96Å; A1006-K1009 PolarHBondContact O-N 3.49Å; A1006-T1010 WeakPolarHBondContact O-CB 3.38Å; A1006-T1010 PolarHBondContact O-N 3.41Å; A1006-T1010 PolarHBondContact O-OG1 2.79Å
1007V93.8Very high92.3Very high13 Ų1349.7 Ų49.78%0.07928%0.276CS..Hα-helixtrans-62.5-49.6-179.4173.20000111.6V967 L979 C1003 L1004 K1009 T1010 D1011 V1016 A1020V967-V1007 HydrophobicContact CG1-CG2 3.5Å; V967-V1007 VanDerWaalsContact CG1-CG2 3.5Å; L979-V1007 HydrophobicContact CD1-CG1 3.94Å; C1003-V1007 VanDerWaalsContact O-CG2 3.29Å; C1003-V1007 WeakPolarHBondContact O-CG2 3.48Å; C1003-V1007 PolarHBondContact O-N 2.98Å; L1004-V1007 PolarHBondContact O-N 3.29Å; V1007-K1009 PolarHBondContact O-N 3.11Å; V1007-T1010 PolarHBondContact O-N 3.06Å; V1007-D1011 HydrophobicContact CG1-CB 4.11Å; V1007-D1011 WeakPolarHBondContact O-CB 3.31Å; V1007-D1011 PolarHBondContact O-N 2.73Å; V1007-V1016 HydrophobicContact CG1-CG1 3.65Å; V1007-A1020 HydrophobicContact CB-CB 4.12Å; V1007-A1020 HydrophobicContact CG1-CB 3.74Å
1008A92.6Very high92.5Very high4 Ų453.3 Ų53.33%0.03329%0.289CS..Hα-helixtrans-63-24.9-178.500000113.3L1004 R1017 A1020 I1021 L1049L1004-A1008 WeakPolarHBondContact O-CB 3.46Å; L1004-A1008 PolarHBondContact O-N 2.91Å; A1008-R1017 WeakPolarHBondContact O-CD 3.46Å; A1008-A1020 HydrophobicContact CB-CB 4.25Å; A1008-I1021 HydrophobicContact CB-CG1 4.29Å; A1008-L1049 HydrophobicContact CB-CD1 4.06Å; A1008-L1049 HydrophobicContact CB-CD2 4.31Å
1009K91.1Very high92.7Very high106 Ų10649 Ų4946%0.46127%0.272SS..Hα-helixtrans-94.5-24.7177-70.8-176.8174.8-178.80115I1005 A1006 V1007 L1049I1005-K1009 HydrophobicContact CG2-CD 4.19Å; I1005-K1009 WeakPolarHBondContact O-CB 3.05Å; I1005-K1009 WeakPolarHBondContact O-CG 3.37Å; I1005-K1009 PolarHBondContact O-N 3.13Å; A1006-K1009 PolarHBondContact O-N 3.49Å; V1007-K1009 PolarHBondContact O-N 3.11Å; K1009-L1049 HydrophobicContact CG-CD1 4.16Å
1010T90.9Very high93Very high112 Ų11243.9 Ų43.969%0.68725%0.248SC*.Hα-helixtrans-126.9-14.1-165.467.50000116.4A1006 V1007A1006-T1010 WeakPolarHBondContact O-CB 3.38Å; A1006-T1010 PolarHBondContact O-N 3.41Å; A1006-T1010 PolarHBondContact O-OG1 2.79Å; V1007-T1010 PolarHBondContact O-N 3.06Å
1011D92.8Very high93.1Very high23 Ų2343.9 Ų43.912%0.12325%0.247CC..  trans-71.7134.4-179.7-157.7-61.8000111.2R975 V1007 E1013 V1016 R1017R975-D1011 IonicContact CZ-OD1 2.74Å; R975-D1011 IonicContact CZ-OD2 2.67Å; R975-D1011 IonicContact NE-OD1 3.54Å; R975-D1011 IonicContact NE-OD2 2.74Å; R975-D1011 PolarHBondContact NE-OD2 2.94Å; R975-D1011 IonicContact NH2-OD1 3.3Å; R975-D1011 PolarHBondContact NH2-OD1 3.05Å; R975-D1011 IonicContact NH2-OD2 2.99Å; R975-D1011 PolarHBondContact NH2-OD2 2.81Å; V1007-D1011 HydrophobicContact CG1-CB 4.11Å; V1007-D1011 WeakPolarHBondContact O-CB 3.31Å; V1007-D1011 PolarHBondContact O-N 2.73Å; D1011-E1013 VanDerWaalsContact C-N 3.29Å; D1011-E1013 PolarHBondContact O-N 3.48Å; D1011-E1013 PolarHBondContact OD1-N 2.98Å; D1011-V1016 HydrophobicContact CB-CB 4.37Å; D1011-V1016 HydrophobicContact CB-CG1 4.35Å; D1011-V1016 WeakPolarHBondContact OD2-CG1 3.27Å; D1011-R1017 HydrophobicContact CB-CG 4.15Å; D1011-R1017 WeakPolarHBondContact O-CD 3.32Å; D1011-R1017 PolarHBondContact O-NH1 3.01Å
1012S90.5Very high93.2Very high95 Ų9546.6 Ų46.666%0.66426%0.26SS*.SBendtrans-66-32.5178.455.60000112.6R1017S1012-R1017 PolarHBondContact O-NH1 3.05Å; S1012-R1017 VanDerWaalsContact O-NH1 3.11Å
1013E92.8Very high93.3Very high93 Ų9343.8 Ų43.844%0.43524%0.237SC..  trans-87.4120.2-171.2-68-61.4158.600112.4D1011 Q1015 V1016 R1017D1011-E1013 VanDerWaalsContact C-N 3.29Å; D1011-E1013 PolarHBondContact O-N 3.48Å; D1011-E1013 PolarHBondContact OD1-N 2.98Å; E1013-Q1015 PolarHBondContact O-N 3.09Å; E1013-V1016 HydrophobicContact CB-CB 4.24Å; E1013-V1016 HydrophobicContact CB-CG2 3.65Å; E1013-V1016 PolarHBondContact O-N 3.49Å; E1013-R1017 PolarHBondContact O-N 3.06Å; E1013-R1017 VanDerWaalsContact O-N 3.17Å
1014V92.3Very high93.2Very high50 Ų5042.6 Ų42.630%0.30323%0.229SC..Hα-helixtrans-56.3-38.9-179.6-172.50000111.5V1016 R1017 R1018 D1059V1014-V1016 VanDerWaalsContact C-N 3.27Å; V1014-V1016 PolarHBondContact O-N 3.4Å; V1014-R1017 PolarHBondContact O-N 3.23Å; V1014-R1018 HydrophobicContact CG1-CG 4.38Å; V1014-R1018 WeakPolarHBondContact O-CB 3.36Å; V1014-R1018 VanDerWaalsContact O-CG 3.29Å; V1014-R1018 WeakPolarHBondContact O-CG 3.3Å; V1014-R1018 PolarHBondContact O-N 3.02Å; V1014-D1059 HydrophobicContact CG1-CB 3.6Å; V1014-D1059 WeakPolarHBondContact CG1-OD1 3.46Å
1015Q91.8Very high93.1Very high122 Ų12242.7 Ų42.757%0.5723%0.229SC*.Hα-helixtrans-62.7-34.3179.2-61.2-176.8800112.5E1013 A1019E1013-Q1015 PolarHBondContact O-N 3.09Å; Q1015-A1019 WeakPolarHBondContact O-CB 3.23Å; Q1015-A1019 PolarHBondContact O-N 3.31Å; Q1015-A1019 VanDerWaalsContact O-N 3.1Å
1016V95.1Very high93Very high0 Ų042.1 Ų42.10%023%0.226CC..Hα-helixtrans-76.6-41.4-179.8-170.30000110.2G972 R975 A976 L979 V1007 D1011 E1013 V1014 A1019 A1020G972-V1016 VanDerWaalsContact O-CG2 3.24Å; G972-V1016 WeakPolarHBondContact O-CG2 3.43Å; R975-V1016 HydrophobicContact CB-CG1 3.81Å; R975-V1016 HydrophobicContact CB-CG2 3.93Å; A976-V1016 HydrophobicContact CB-CG2 4.22Å; L979-V1016 HydrophobicContact CD1-CG1 3.47Å; L979-V1016 VanDerWaalsContact CD1-CG1 3.47Å; L979-V1016 WeakPolarHBondContact CD1-O 3.37Å; V1007-V1016 HydrophobicContact CG1-CG1 3.65Å; D1011-V1016 HydrophobicContact CB-CB 4.37Å; D1011-V1016 HydrophobicContact CB-CG1 4.35Å; D1011-V1016 WeakPolarHBondContact OD2-CG1 3.27Å; E1013-V1016 HydrophobicContact CB-CB 4.24Å; E1013-V1016 HydrophobicContact CB-CG2 3.65Å; E1013-V1016 PolarHBondContact O-N 3.49Å; V1014-V1016 VanDerWaalsContact C-N 3.27Å; V1014-V1016 PolarHBondContact O-N 3.4Å; V1016-A1019 PolarHBondContact O-N 2.78Å; V1016-A1020 PolarHBondContact O-N 2.96Å
1017R94.2Very high92.9Very high28 Ų2839.9 Ų39.911%0.10621%0.208CC..Hα-helixtrans-61-47.8172.7-61.4-162-57.4-79.1-1.4111.8A1008 D1011 S1012 E1013 V1014 A1019 A1020 I1021 E1057A1008-R1017 WeakPolarHBondContact O-CD 3.46Å; D1011-R1017 HydrophobicContact CB-CG 4.15Å; D1011-R1017 WeakPolarHBondContact O-CD 3.32Å; D1011-R1017 PolarHBondContact O-NH1 3.01Å; S1012-R1017 PolarHBondContact O-NH1 3.05Å; S1012-R1017 VanDerWaalsContact O-NH1 3.11Å; E1013-R1017 PolarHBondContact O-N 3.06Å; E1013-R1017 VanDerWaalsContact O-N 3.17Å; V1014-R1017 PolarHBondContact O-N 3.23Å; R1017-A1019 VanDerWaalsContact C-N 3.27Å; R1017-A1019 PolarHBondContact O-N 3.17Å; R1017-A1020 PolarHBondContact O-N 2.7Å; R1017-I1021 WeakPolarHBondContact O-CD1 3.37Å; R1017-I1021 WeakPolarHBondContact O-CG1 3.11Å; R1017-I1021 PolarHBondContact O-N 2.97Å; R1017-I1021 VanDerWaalsContact O-N 3.1Å; R1017-E1057 IonicContact CZ-OE1 2.78Å; R1017-E1057 VanDerWaalsContact CZ-OE1 3.3Å; R1017-E1057 IonicContact CZ-OE2 3.67Å; R1017-E1057 VanDerWaalsContact NE-CD 3.35Å; R1017-E1057 IonicContact NE-OE1 3.61Å; R1017-E1057 PolarHBondContact NE-OE1 3.39Å; R1017-E1057 IonicContact NE-OE2 2.64Å; R1017-E1057 PolarHBondContact NE-OE2 3.39Å; R1017-E1057 IonicContact NH2-OE1 3.99Å; R1017-E1057 PolarHBondContact NH2-OE1 2.75Å; R1017-E1057 IonicContact NH2-OE2 2.69Å
1018R93.4Very high92.8Very high82 Ų8239.4 Ų39.431%0.30920%0.204SC..Hα-helixtrans-52.3-43.9172.6-74.9173.5-176.6-176.60.4112.5V1014 H1022 D1059 V1061 A1062 H1065V1014-R1018 HydrophobicContact CG1-CG 4.38Å; V1014-R1018 WeakPolarHBondContact O-CB 3.36Å; V1014-R1018 VanDerWaalsContact O-CG 3.29Å; V1014-R1018 WeakPolarHBondContact O-CG 3.3Å; V1014-R1018 PolarHBondContact O-N 3.02Å; R1018-H1022 WeakPolarHBondContact O-CB 3.5Å; R1018-H1022 PolarHBondContact O-N 3.05Å; R1018-D1059 WeakPolarHBondContact CG-OD2 3.25Å; R1018-D1059 IonicContact CZ-OD1 2.76Å; R1018-D1059 IonicContact CZ-OD2 3.7Å; R1018-D1059 IonicContact NE-OD1 3.95Å; R1018-D1059 PolarHBondContact NE-OD1 3.22Å; R1018-D1059 IonicContact NE-OD2 2.7Å; R1018-D1059 PolarHBondContact NE-OD2 3.04Å; R1018-D1059 IonicContact NH2-OD1 3.79Å; R1018-D1059 PolarHBondContact NH2-OD1 3.19Å; R1018-D1059 IonicContact NH2-OD2 2.73Å; R1018-V1061 HydrophobicContact CG-CB 4.35Å; R1018-V1061 HydrophobicContact CG-CG1 4.37Å; R1018-A1062 HydrophobicContact CG-CB 3.97Å; R1018-H1065 PolarHBondContact O-ND1 3.08Å
1019A94.1Very high92.6Very high17 Ų1744.1 Ų44.114%0.1422%0.221CC..Hα-helixtrans-67.9-44179.900000111.9A976 L979 Q1015 V1016 R1017 I1021 H1022 V1023A976-A1019 HydrophobicContact CB-CB 4.35Å; L979-A1019 HydrophobicContact CB-CB 3.88Å; L979-A1019 HydrophobicContact CD1-CB 4.03Å; Q1015-A1019 WeakPolarHBondContact O-CB 3.23Å; Q1015-A1019 PolarHBondContact O-N 3.31Å; Q1015-A1019 VanDerWaalsContact O-N 3.1Å; V1016-A1019 PolarHBondContact O-N 2.78Å; R1017-A1019 VanDerWaalsContact C-N 3.27Å; R1017-A1019 PolarHBondContact O-N 3.17Å; A1019-I1021 VanDerWaalsContact C-N 3.34Å; A1019-I1021 PolarHBondContact O-N 3Å; A1019-H1022 WeakPolarHBondContact O-CB 3.35Å; A1019-H1022 PolarHBondContact O-N 3Å; A1019-H1022 VanDerWaalsContact O-N 3.13Å; A1019-V1023 WeakPolarHBondContact O-CG2 3.4Å; A1019-V1023 PolarHBondContact O-N 2.88Å
1020A95.5Very high92.4Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-59.2-43.317700000112.3L979 L1004 V1007 A1008 V1016 R1017 H1022 V1023L979-A1020 HydrophobicContact CD1-CB 4.16Å; L1004-A1020 HydrophobicContact CD2-CB 4.15Å; V1007-A1020 HydrophobicContact CB-CB 4.12Å; V1007-A1020 HydrophobicContact CG1-CB 3.74Å; A1008-A1020 HydrophobicContact CB-CB 4.25Å; V1016-A1020 PolarHBondContact O-N 2.96Å; R1017-A1020 PolarHBondContact O-N 2.7Å; A1020-H1022 VanDerWaalsContact C-N 3.34Å; A1020-V1023 WeakPolarHBondContact O-CB 3.23Å; A1020-V1023 PolarHBondContact O-N 3.05Å
1021I94.6Very high92.3Very high1 Ų134.7 Ų34.71%0.00518%0.176CC..Hα-helixtrans-67.4-38176.2-57.9151.2000110.5A1008 R1017 A1019 V1023 V1024 V1025 L1050 V1053 A1062 H1065 A1066A1008-I1021 HydrophobicContact CB-CG1 4.29Å; R1017-I1021 WeakPolarHBondContact O-CD1 3.37Å; R1017-I1021 WeakPolarHBondContact O-CG1 3.11Å; R1017-I1021 PolarHBondContact O-N 2.97Å; R1017-I1021 VanDerWaalsContact O-N 3.1Å; A1019-I1021 VanDerWaalsContact C-N 3.34Å; A1019-I1021 PolarHBondContact O-N 3Å; I1021-V1023 VanDerWaalsContact C-N 3.28Å; I1021-V1023 PolarHBondContact O-N 2.87Å; I1021-V1024 WeakPolarHBondContact O-CB 3.28Å; I1021-V1024 PolarHBondContact O-N 3.36Å; I1021-V1025 PolarHBondContact O-N 2.91Å; I1021-L1050 HydrophobicContact CG2-CD2 4.25Å; I1021-V1053 HydrophobicContact CD1-CB 4.45Å; I1021-V1053 HydrophobicContact CD1-CG1 3.51Å; I1021-V1053 HydrophobicContact CD1-CG2 4.09Å; I1021-V1053 HydrophobicContact CG1-CG1 4.21Å; I1021-V1053 HydrophobicContact CG1-CG2 4.21Å; I1021-A1062 HydrophobicContact CD1-CB 3.64Å; I1021-H1065 HydrophobicContact CB-CB 4.27Å; I1021-H1065 HydrophobicContact CG2-CB 3.66Å; I1021-A1066 HydrophobicContact CG2-CB 3.92Å
1022H92.9Very high92Very high63 Ų6336.6 Ų36.629%0.29219%0.191SC..Hα-helixtrans-63.8-31.4176.1-161.677.6000112.9R1018 A1019 A1020 V1024 V1025 L1026 H1065R1018-H1022 WeakPolarHBondContact O-CB 3.5Å; R1018-H1022 PolarHBondContact O-N 3.05Å; A1019-H1022 WeakPolarHBondContact O-CB 3.35Å; A1019-H1022 PolarHBondContact O-N 3Å; A1019-H1022 VanDerWaalsContact O-N 3.13Å; A1020-H1022 VanDerWaalsContact C-N 3.34Å; H1022-V1024 VanDerWaalsContact C-N 3.27Å; H1022-V1024 PolarHBondContact O-N 2.98Å; H1022-V1025 WeakPolarHBondContact O-CB 3.48Å; H1022-V1025 PolarHBondContact O-N 2.74Å; H1022-L1026 WeakPolarHBondContact O-CG 3.28Å; H1022-L1026 PolarHBondContact O-N 3.37Å; H1022-H1065 AromaticContact CG-CE1 3.89Å; H1022-H1065 AromaticContact ND1-CD2 3.87Å; H1022-H1065 AromaticContact ND1-CE1 3.38Å; H1022-H1065 PolarHBondContact ND1-CE1 3.31Å; H1022-H1065 AromaticContact ND1-CG 3.99Å; H1022-H1065 AromaticContact ND1-ND1 3.69Å; H1022-H1065 AromaticContact ND1-NE2 3.47Å; H1022-H1065 PolarHBondContact ND1-NE2 3Å
1023V94.7Very high91.7Very high1 Ų138.4 Ų38.41%0.00619%0.189CC..Hα-helixtrans-59.4-39.3170.8175.30000111L979 L1004 A1019 A1020 I1021 V1025 L1026 L1027L979-V1023 HydrophobicContact CB-CG2 4.25Å; L979-V1023 WeakPolarHBondContact O-CG2 3.41Å; L1004-V1023 HydrophobicContact CD1-CB 4.06Å; L1004-V1023 HydrophobicContact CD1-CG1 3.58Å; L1004-V1023 HydrophobicContact CD2-CB 3.74Å; L1004-V1023 HydrophobicContact CD2-CG1 3.85Å; L1004-V1023 HydrophobicContact CD2-CG2 4.09Å; L1004-V1023 HydrophobicContact CG-CG1 4.33Å; A1019-V1023 WeakPolarHBondContact O-CG2 3.4Å; A1019-V1023 PolarHBondContact O-N 2.88Å; A1020-V1023 WeakPolarHBondContact O-CB 3.23Å; A1020-V1023 PolarHBondContact O-N 3.05Å; I1021-V1023 VanDerWaalsContact C-N 3.28Å; I1021-V1023 PolarHBondContact O-N 2.87Å; V1023-V1025 VanDerWaalsContact C-N 3.34Å; V1023-V1025 PolarHBondContact O-N 3.47Å; V1023-L1026 PolarHBondContact O-N 2.93Å; V1023-L1027 WeakPolarHBondContact O-CB 3.38Å; V1023-L1027 PolarHBondContact O-N 2.73Å
1024V93.1Very high91.4Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-64.6-38.6176.7-172.80000111.3L1004 I1021 H1022 L1027 L1028 L1046 L1050 A1069L1004-V1024 HydrophobicContact CD1-CG2 4.06Å; I1021-V1024 WeakPolarHBondContact O-CB 3.28Å; I1021-V1024 PolarHBondContact O-N 3.36Å; H1022-V1024 VanDerWaalsContact C-N 3.27Å; H1022-V1024 PolarHBondContact O-N 2.98Å; V1024-L1027 WeakPolarHBondContact O-CB 3.5Å; V1024-L1027 PolarHBondContact O-N 3.12Å; V1024-L1028 HydrophobicContact CG1-CD1 4.16Å; V1024-L1028 WeakPolarHBondContact O-CG 3.49Å; V1024-L1028 PolarHBondContact O-N 3.34Å; V1024-L1028 VanDerWaalsContact O-N 3.08Å; V1024-L1046 HydrophobicContact CG1-CD2 4.15Å; V1024-L1046 HydrophobicContact CG2-CD2 4.06Å; V1024-L1050 HydrophobicContact CB-CD2 4.38Å; V1024-L1050 HydrophobicContact CG1-CD1 4.11Å; V1024-L1050 HydrophobicContact CG1-CD2 4.08Å; V1024-L1050 HydrophobicContact CG1-CG 4.34Å; V1024-A1069 HydrophobicContact CG1-CB 4.4Å
1025V92.9Very high91Very high1 Ų135.2 Ų35.21%0.00617%0.17CC..Hα-helixtrans-60.6-48.5173-177.40000111I1021 H1022 V1023 R1029 H1065 A1069I1021-V1025 PolarHBondContact O-N 2.91Å; H1022-V1025 WeakPolarHBondContact O-CB 3.48Å; H1022-V1025 PolarHBondContact O-N 2.74Å; V1023-V1025 VanDerWaalsContact C-N 3.34Å; V1023-V1025 PolarHBondContact O-N 3.47Å; V1025-R1029 WeakPolarHBondContact O-CB 3.34Å; V1025-R1029 WeakPolarHBondContact O-CG 3.44Å; V1025-R1029 PolarHBondContact O-N 3.23Å; V1025-H1065 HydrophobicContact CG2-CB 4.43Å; V1025-H1065 WeakPolarHBondContact CG2-O 3.36Å; V1025-A1069 HydrophobicContact CG2-CB 3.82Å
1026L91.3Very high90.7Very high25 Ų2530.5 Ų30.513%0.13115%0.149CC..Hα-helixtrans-67.2-35.9-179.5-65.8176.3000112.6H1022 V1023 G1030H1022-L1026 WeakPolarHBondContact O-CG 3.28Å; H1022-L1026 PolarHBondContact O-N 3.37Å; V1023-L1026 PolarHBondContact O-N 2.93Å; L1026-G1030 PolarHBondContact O-N 3.33Å
1027L90.8Very high90.2Very high2 Ų236.5 Ų36.51%0.0118%0.178CC..Hα-helixtrans-60-52.6175.1-178.981.1000111.5C986 L993 V1023 V1024 G1030 L1031 L1039 L1046C986-L1027 HydrophobicContact CB-CD1 4.06Å; L993-L1027 HydrophobicContact CD2-CD1 3.39Å; V1023-L1027 WeakPolarHBondContact O-CB 3.38Å; V1023-L1027 PolarHBondContact O-N 2.73Å; V1024-L1027 WeakPolarHBondContact O-CB 3.5Å; V1024-L1027 PolarHBondContact O-N 3.12Å; L1027-G1030 PolarHBondContact O-N 3.28Å; L1027-L1031 HydrophobicContact CD1-CD1 4.23Å; L1027-L1031 HydrophobicContact CG-CD1 4.25Å; L1027-L1031 WeakPolarHBondContact O-CG 3.36Å; L1027-L1031 PolarHBondContact O-N 3.03Å; L1027-L1039 HydrophobicContact CD1-CD2 4.48Å; L1027-L1039 HydrophobicContact CD2-CD1 3.76Å; L1027-L1039 HydrophobicContact CD2-CD2 4.05Å; L1027-L1039 HydrophobicContact CG-CD1 4.17Å; L1027-L1039 HydrophobicContact CG-CD2 4.46Å; L1027-L1046 HydrophobicContact CD2-CD1 3.85Å
1028L90.6Very high89.7Confident2 Ų236 Ų361%0.0118%0.178CC..Hα-helixtrans-64.2-42.9179.6-68.9169.9000111.2V1024 G1030 S1032 A1035 L1039 L1043 A1069 E1072 L1073 I1076V1024-L1028 HydrophobicContact CG1-CD1 4.16Å; V1024-L1028 WeakPolarHBondContact O-CG 3.49Å; V1024-L1028 PolarHBondContact O-N 3.34Å; V1024-L1028 VanDerWaalsContact O-N 3.08Å; L1028-G1030 PolarHBondContact O-N 3.33Å; L1028-S1032 WeakPolarHBondContact O-CA 3.39Å; L1028-S1032 PolarHBondContact O-N 3.28Å; L1028-A1035 HydrophobicContact CD2-CB 4.46Å; L1028-L1039 HydrophobicContact CD2-CD1 4.04Å; L1028-L1043 HydrophobicContact CD2-CD1 4.49Å; L1028-A1069 HydrophobicContact CD1-CB 4.14Å; L1028-A1069 VanDerWaalsContact CD1-O 3.26Å; L1028-A1069 WeakPolarHBondContact CD1-O 3.39Å; L1028-E1072 HydrophobicContact CB-CB 4.41Å; L1028-L1073 HydrophobicContact CD1-CB 4.18Å; L1028-L1073 HydrophobicContact CD2-CD1 4.33Å; L1028-I1076 HydrophobicContact CB-CD1 4.31Å; L1028-I1076 HydrophobicContact CD2-CD1 4.41Å
1029R89.9Confident89.3Confident103 Ų10332.1 Ų32.139%0.38916%0.163SC..Hα-helixtrans-63-39.6175.7-77.6178.3172.7159.36.6113.9V1025 E1072V1025-R1029 WeakPolarHBondContact O-CB 3.34Å; V1025-R1029 WeakPolarHBondContact O-CG 3.44Å; V1025-R1029 PolarHBondContact O-N 3.23Å; R1029-E1072 HydrophobicContact CG-CG 4.24Å; R1029-E1072 WeakPolarHBondContact CG-OE2 3.43Å; R1029-E1072 IonicContact CZ-OE1 2.8Å; R1029-E1072 VanDerWaalsContact NE-CD 3.32Å; R1029-E1072 IonicContact NE-OE1 2.86Å; R1029-E1072 PolarHBondContact NE-OE1 3.17Å; R1029-E1072 IonicContact NE-OE2 3.08Å; R1029-E1072 IonicContact NH2-OE1 2.73Å; R1029-E1072 PolarHBondContact NH2-OE1 3.04Å
1030G86.5Confident88.9Confident18 Ų1835.5 Ų35.519%0.18619%0.185CC..Hα-helixtrans-67.3-49.1178.300000112.1L1026 L1027 L1028L1026-G1030 PolarHBondContact O-N 3.33Å; L1027-G1030 PolarHBondContact O-N 3.28Å; L1028-G1030 PolarHBondContact O-N 3.33Å
1031L87.7Confident88.4Confident2 Ų238.6 Ų38.61%0.0121%0.211CC..Hα-helixtrans-72.8-33.6-178.5-66.3172.7000112.8L993 L1027 Q1033 K1034 A1035 V1038 L1039L993-L1031 HydrophobicContact CD2-CD1 4.37Å; L1027-L1031 HydrophobicContact CD1-CD1 4.23Å; L1027-L1031 HydrophobicContact CG-CD1 4.25Å; L1027-L1031 WeakPolarHBondContact O-CG 3.36Å; L1027-L1031 PolarHBondContact O-N 3.03Å; L1031-Q1033 PolarHBondContact O-N 3.29Å; L1031-K1034 WeakPolarHBondContact O-CA 3.3Å; L1031-K1034 VanDerWaalsContact O-CB 3.25Å; L1031-K1034 WeakPolarHBondContact O-CB 3.33Å; L1031-K1034 PolarHBondContact O-N 3.23Å; L1031-A1035 HydrophobicContact CB-CB 3.82Å; L1031-V1038 HydrophobicContact CD1-CB 4.23Å; L1031-V1038 HydrophobicContact CD1-CG1 4.06Å; L1031-V1038 HydrophobicContact CD2-CB 4.16Å; L1031-V1038 HydrophobicContact CD2-CG1 4.03Å; L1031-V1038 HydrophobicContact CD2-CG2 4.18Å; L1031-L1039 HydrophobicContact CD1-CD1 3.83Å; L1031-L1039 HydrophobicContact CD1-CD2 3.8Å; L1031-L1039 HydrophobicContact CD1-CG 3.64Å
1032S87.8Confident88.2Confident63 Ų6338.7 Ų38.744%0.44121%0.212SC..G310 helixtrans49.1-127.2-178.6-174.10000110.7L1028 K1034 A1035L1028-S1032 WeakPolarHBondContact O-CA 3.39Å; L1028-S1032 PolarHBondContact O-N 3.28Å; S1032-K1034 PolarHBondContact O-N 2.94Å; S1032-K1034 VanDerWaalsContact O-N 3.13Å; S1032-A1035 WeakPolarHBondContact O-CB 3.06Å; S1032-A1035 PolarHBondContact O-N 3.22Å
1033Q84.1Confident88Confident134 Ų13437.1 Ų37.163%0.62621%0.205SC*.G310 helixtrans-58.8-23177.8-65.1-177-10.800114.3L1031 A1035 T1036L1031-Q1033 PolarHBondContact O-N 3.29Å; Q1033-A1035 PolarHBondContact O-N 2.99Å; Q1033-T1036 PolarHBondContact O-OG1 3.03Å
1034K85.3Confident87.8Confident74 Ų7442.2 Ų42.232%0.32223%0.227SC..G310 helixtrans-75.1-11176.4-53.6166.3-176.7157.70112.7D990 F991 L1031 S1032 T1036 E1037 V1038D990-K1034 VanDerWaalsContact CG-NZ 3.25Å; D990-K1034 IonicContact OD1-NZ 3.53Å; D990-K1034 PolarHBondContact OD1-NZ 2.89Å; D990-K1034 IonicContact OD2-NZ 3.51Å; D990-K1034 PolarHBondContact OD2-NZ 3.42Å; F991-K1034 HydrophobicContact CD2-CD 4.39Å; F991-K1034 HydrophobicContact CE2-CD 3.72Å; F991-K1034 HydrophobicContact CE2-CG 4.18Å; F991-K1034 HydrophobicContact CZ-CB 4.24Å; F991-K1034 HydrophobicContact CZ-CD 4.01Å; F991-K1034 HydrophobicContact CZ-CG 3.95Å; L1031-K1034 WeakPolarHBondContact O-CA 3.3Å; L1031-K1034 VanDerWaalsContact O-CB 3.25Å; L1031-K1034 WeakPolarHBondContact O-CB 3.33Å; L1031-K1034 PolarHBondContact O-N 3.23Å; S1032-K1034 PolarHBondContact O-N 2.94Å; S1032-K1034 VanDerWaalsContact O-N 3.13Å; K1034-T1036 VanDerWaalsContact C-N 3.28Å; K1034-T1036 PolarHBondContact O-N 3.35Å; K1034-E1037 PolarHBondContact O-N 2.88Å; K1034-V1038 HydrophobicContact CB-CG2 4.4Å; K1034-V1038 WeakPolarHBondContact O-CG2 3.44Å; K1034-V1038 PolarHBondContact O-N 3.23Å
1035A85.6Confident87.6Confident1 Ų146 Ų461%0.00825%0.248CC..Hα-helixtrans-62.7-33.9-175.700000112.5L1028 L1031 S1032 Q1033 E1037 L1039 I1076L1028-A1035 HydrophobicContact CD2-CB 4.46Å; L1031-A1035 HydrophobicContact CB-CB 3.82Å; S1032-A1035 WeakPolarHBondContact O-CB 3.06Å; S1032-A1035 PolarHBondContact O-N 3.22Å; Q1033-A1035 PolarHBondContact O-N 2.99Å; A1035-E1037 VanDerWaalsContact C-N 3.31Å; A1035-E1037 PolarHBondContact O-N 3.36Å; A1035-L1039 HydrophobicContact CB-CD1 4.3Å; A1035-L1039 WeakPolarHBondContact O-CA 3.33Å; A1035-L1039 VanDerWaalsContact O-CB 3.23Å; A1035-L1039 WeakPolarHBondContact O-CB 3.4Å; A1035-L1039 PolarHBondContact O-N 2.82Å; A1035-I1076 HydrophobicContact CB-CD1 4.14Å; A1035-I1076 HydrophobicContact CB-CG2 4.34Å
1036T84.5Confident87.5Confident23 Ų2346 Ų4614%0.14125%0.248CC..Hα-helixtrans-65.2-33.5176.9520000112.6Q1033 K1034 S1040 I1076 M1077 F1080Q1033-T1036 PolarHBondContact O-OG1 3.03Å; K1034-T1036 VanDerWaalsContact C-N 3.28Å; K1034-T1036 PolarHBondContact O-N 3.35Å; T1036-S1040 WeakPolarHBondContact O-CB 3.5Å; T1036-I1076 HydrophobicContact CG2-CG2 4.08Å; T1036-M1077 HydrophobicContact CG2-SD 4Å; T1036-F1080 HydrophobicContact CG2-CB 4.26Å; T1036-F1080 HydrophobicContact CG2-CD2 4.05Å; T1036-F1080 HydrophobicContact CG2-CG 4.03Å
1037E84.6Confident87.6Confident127 Ų12749 Ų4959%0.59326%0.258SS*.Hα-helixtrans-79-55.8175.8-62.4178.517700111F991 K1034 A1035 S1040F991-E1037 WeakPolarHBondContact CE1-OE2 3.46Å; K1034-E1037 PolarHBondContact O-N 2.88Å; A1035-E1037 VanDerWaalsContact C-N 3.31Å; A1035-E1037 PolarHBondContact O-N 3.36Å; E1037-S1040 WeakPolarHBondContact O-CB 3.47Å; E1037-S1040 PolarHBondContact O-N 2.98Å; E1037-S1040 PolarHBondContact O-OG 3.47Å
1038V83.9Confident87.6Confident18 Ų1852.5 Ų52.511%0.10927%0.274CS..Hα-helixtrans-71-35.9-171.5177.40000112.9F991 L993 V997 L1031 K1034F991-V1038 HydrophobicContact CD1-CG2 3.45Å; F991-V1038 VanDerWaalsContact CD1-CG2 3.45Å; F991-V1038 HydrophobicContact CE1-CG2 3.77Å; F991-V1038 HydrophobicContact CG-CG2 4.18Å; L993-V1038 HydrophobicContact CB-CG1 4.41Å; V997-V1038 HydrophobicContact CG2-CG1 4.33Å; L1031-V1038 HydrophobicContact CD1-CB 4.23Å; L1031-V1038 HydrophobicContact CD1-CG1 4.06Å; L1031-V1038 HydrophobicContact CD2-CB 4.16Å; L1031-V1038 HydrophobicContact CD2-CG1 4.03Å; L1031-V1038 HydrophobicContact CD2-CG2 4.18Å; K1034-V1038 HydrophobicContact CB-CG2 4.4Å; K1034-V1038 WeakPolarHBondContact O-CG2 3.44Å; K1034-V1038 PolarHBondContact O-N 3.23Å
1039L85.1Confident87.7Confident0 Ų052.5 Ų52.50%027%0.274CS..THydrogen-bonded Turntrans-99.56-180-53.2179.2000113.1L993 V997 L1027 L1028 L1031 A1035 A1041 V1042 L1043 L1046L993-L1039 HydrophobicContact CD2-CD2 4.36Å; V997-L1039 HydrophobicContact CG1-CD2 3.87Å; V997-L1039 HydrophobicContact CG2-CD2 4.39Å; L1027-L1039 HydrophobicContact CD1-CD2 4.48Å; L1027-L1039 HydrophobicContact CD2-CD1 3.76Å; L1027-L1039 HydrophobicContact CD2-CD2 4.05Å; L1027-L1039 HydrophobicContact CG-CD1 4.17Å; L1027-L1039 HydrophobicContact CG-CD2 4.46Å; L1028-L1039 HydrophobicContact CD2-CD1 4.04Å; L1031-L1039 HydrophobicContact CD1-CD1 3.83Å; L1031-L1039 HydrophobicContact CD1-CD2 3.8Å; L1031-L1039 HydrophobicContact CD1-CG 3.64Å; A1035-L1039 HydrophobicContact CB-CD1 4.3Å; A1035-L1039 WeakPolarHBondContact O-CA 3.33Å; A1035-L1039 VanDerWaalsContact O-CB 3.23Å; A1035-L1039 WeakPolarHBondContact O-CB 3.4Å; A1035-L1039 PolarHBondContact O-N 2.82Å; L1039-A1041 PolarHBondContact O-N 3.34Å; L1039-V1042 HydrophobicContact CB-CG2 4.05Å; L1039-V1042 HydrophobicContact CD2-CG2 4.15Å; L1039-V1042 CarbonylContact O-C 3.58Å; L1039-V1042 PolarHBondContact O-N 3.25Å; L1039-L1043 HydrophobicContact CB-CB 4.44Å; L1039-L1043 HydrophobicContact CB-CD1 4.14Å; L1039-L1043 HydrophobicContact CD1-CD1 4.28Å; L1039-L1043 WeakPolarHBondContact O-CB 3.36Å; L1039-L1043 PolarHBondContact O-N 3.15Å; L1039-L1046 HydrophobicContact CD1-CD1 4.03Å
1040S85.1Confident87.9Confident87 Ų8747.7 Ų47.761%0.60826%0.256SS*.THydrogen-bonded Turntrans-41.7-42.6-17848.60000114.4T1036 E1037T1036-S1040 WeakPolarHBondContact O-CB 3.5Å; E1037-S1040 WeakPolarHBondContact O-CB 3.47Å; E1037-S1040 PolarHBondContact O-N 2.98Å; E1037-S1040 PolarHBondContact O-OG 3.47Å
1041A86.1Confident88.2Confident66 Ų6651 Ų5155%0.54527%0.265SS..THydrogen-bonded Turntrans-78.2-13.5-179.100000115.8L1039L1039-A1041 PolarHBondContact O-N 3.34Å
1042V89.8Confident88.4Confident2 Ų254.4 Ų54.41%0.01228%0.281CS..THydrogen-bonded Turntrans-130.9-5.5-175.3-58.70000114.7V997 H998 T1001 L1039 K1044 D1045 L1046V997-V1042 HydrophobicContact CG1-CB 4.21Å; V997-V1042 HydrophobicContact CG1-CG1 3.84Å; V997-V1042 HydrophobicContact CG1-CG2 3.29Å; H998-V1042 WeakPolarHBondContact ND1-CG1 3.35Å; T1001-V1042 HydrophobicContact CG2-CB 4.1Å; T1001-V1042 HydrophobicContact CG2-CG1 4.47Å; T1001-V1042 HydrophobicContact CG2-CG2 4.46Å; L1039-V1042 HydrophobicContact CB-CG2 4.05Å; L1039-V1042 HydrophobicContact CD2-CG2 4.15Å; L1039-V1042 CarbonylContact O-C 3.58Å; L1039-V1042 PolarHBondContact O-N 3.25Å; V1042-K1044 PolarHBondContact O-N 2.92Å; V1042-D1045 PolarHBondContact O-N 3.32Å; V1042-L1046 HydrophobicContact CG2-CD1 4.13Å; V1042-L1046 PolarHBondContact O-N 3.46Å
1043L89.5Confident88.5Confident30 Ų3051.6 Ų51.616%0.15726%0.261CS..Hα-helixtrans-57.8-36.3-173.2-165.963.8000112.1L1028 L1039 L1046 Y1047 L1073 M1077L1028-L1043 HydrophobicContact CD2-CD1 4.49Å; L1039-L1043 HydrophobicContact CB-CB 4.44Å; L1039-L1043 HydrophobicContact CB-CD1 4.14Å; L1039-L1043 HydrophobicContact CD1-CD1 4.28Å; L1039-L1043 WeakPolarHBondContact O-CB 3.36Å; L1039-L1043 PolarHBondContact O-N 3.15Å; L1043-L1046 PolarHBondContact O-N 3.35Å; L1043-Y1047 WeakPolarHBondContact O-CB 3.44Å; L1043-Y1047 PolarHBondContact O-N 2.85Å; L1043-L1073 HydrophobicContact CD1-CD1 3.74Å; L1043-L1073 HydrophobicContact CD2-CD1 4.31Å; L1043-L1073 HydrophobicContact CG-CD1 4.26Å; L1043-M1077 HydrophobicContact CD2-SD 4.49Å
1044K88.6Confident88.9Confident108 Ų10846.7 Ų46.747%0.4724%0.241SC..Hα-helixtrans-63.1-44174.1-175.7171.9-179.1170.90112.5V1042 Y1047 H1048V1042-K1044 PolarHBondContact O-N 2.92Å; K1044-Y1047 PolarHBondContact O-N 3.49Å; K1044-H1048 WeakPolarHBondContact CE-CE1 3.47Å; K1044-H1048 WeakPolarHBondContact O-CB 3.49Å; K1044-H1048 VanDerWaalsContact O-CG 3.29Å; K1044-H1048 PolarHBondContact O-N 3.08Å
1045D90.3Very high89Confident80 Ų8049.7 Ų49.743%0.42826%0.255SS..Hα-helixtrans-68-37.7-180-63-31.1000111.5I1005 V1042 L1049I1005-D1045 HydrophobicContact CD1-CB 3.95Å; V1042-D1045 PolarHBondContact O-N 3.32Å; D1045-L1049 WeakPolarHBondContact O-CB 3.38Å; D1045-L1049 PolarHBondContact O-N 3.08Å
1046L91.4Very high89.1Confident2 Ų255.5 Ų55.51%0.0129%0.285CS..Hα-helixtrans-64.8-46.8172.2-69.5173.9000111.4T1001 V1024 L1027 L1039 V1042 L1043 H1048 L1049 L1050T1001-L1046 HydrophobicContact CG2-CD2 3.68Å; T1001-L1046 HydrophobicContact CG2-CG 3.92Å; V1024-L1046 HydrophobicContact CG1-CD2 4.15Å; V1024-L1046 HydrophobicContact CG2-CD2 4.06Å; L1027-L1046 HydrophobicContact CD2-CD1 3.85Å; L1039-L1046 HydrophobicContact CD1-CD1 4.03Å; V1042-L1046 HydrophobicContact CG2-CD1 4.13Å; V1042-L1046 PolarHBondContact O-N 3.46Å; L1043-L1046 PolarHBondContact O-N 3.35Å; L1046-H1048 PolarHBondContact O-N 3.11Å; L1046-L1049 WeakPolarHBondContact O-CB 3.47Å; L1046-L1049 PolarHBondContact O-N 3.29Å; L1046-L1049 VanDerWaalsContact O-N 3.17Å; L1046-L1050 VanDerWaalsContact O-CG 3.27Å; L1046-L1050 WeakPolarHBondContact O-CG 3.48Å; L1046-L1050 PolarHBondContact O-N 2.95Å
1047Y91.6Very high89.4Confident86 Ų8655.1 Ų55.134%0.33728%0.282SS..Hα-helixtrans-58.5-46.4176.3178.1-104000112.1L1043 K1044 L1049 L1050 K1051 L1070 L1073L1043-Y1047 WeakPolarHBondContact O-CB 3.44Å; L1043-Y1047 PolarHBondContact O-N 2.85Å; K1044-Y1047 PolarHBondContact O-N 3.49Å; Y1047-L1049 PolarHBondContact O-N 3.16Å; Y1047-L1050 PolarHBondContact O-N 3.39Å; Y1047-K1051 HydrophobicContact CE1-CG 4.17Å; Y1047-K1051 HydrophobicContact CE2-CG 4.29Å; Y1047-K1051 PolarHBondContact O-N 3.29Å; Y1047-K1051 WeakPolarHBondContact OH-CE 3.4Å; Y1047-L1070 HydrophobicContact CD2-CD2 3.62Å; Y1047-L1070 HydrophobicContact CE2-CD2 3.74Å; Y1047-L1073 HydrophobicContact CD2-CD2 3.97Å
1048H92.4Very high89.5Confident76 Ų7654.2 Ų54.235%0.35229%0.287SS..Hα-helixtrans-61.5-40.1174.6-70.3179.9000112.4K1044 L1046 H1052K1044-H1048 WeakPolarHBondContact CE-CE1 3.47Å; K1044-H1048 WeakPolarHBondContact O-CB 3.49Å; K1044-H1048 VanDerWaalsContact O-CG 3.29Å; K1044-H1048 PolarHBondContact O-N 3.08Å; L1046-H1048 PolarHBondContact O-N 3.11Å; H1048-H1052 WeakPolarHBondContact O-CB 3.15Å; H1048-H1052 PolarHBondContact O-N 2.82Å
1049L92.8Very high90Very high3 Ų354.5 Ų54.52%0.01629%0.288CS..Hα-helixtrans-61.2-47.8175179.468000111.3I1005 A1008 K1009 D1045 L1046 Y1047 H1052 V1053I1005-L1049 HydrophobicContact CB-CD2 4.49Å; I1005-L1049 HydrophobicContact CG1-CB 4.33Å; I1005-L1049 HydrophobicContact CG1-CD1 4.35Å; I1005-L1049 HydrophobicContact CG1-CD2 3.84Å; I1005-L1049 HydrophobicContact CG1-CG 4.39Å; I1005-L1049 HydrophobicContact CG2-CD1 4.44Å; A1008-L1049 HydrophobicContact CB-CD1 4.06Å; A1008-L1049 HydrophobicContact CB-CD2 4.31Å; K1009-L1049 HydrophobicContact CG-CD1 4.16Å; D1045-L1049 WeakPolarHBondContact O-CB 3.38Å; D1045-L1049 PolarHBondContact O-N 3.08Å; L1046-L1049 WeakPolarHBondContact O-CB 3.47Å; L1046-L1049 PolarHBondContact O-N 3.29Å; L1046-L1049 VanDerWaalsContact O-N 3.17Å; Y1047-L1049 PolarHBondContact O-N 3.16Å; L1049-H1052 WeakPolarHBondContact O-CB 3.46Å; L1049-H1052 PolarHBondContact O-N 3.06Å; L1049-V1053 HydrophobicContact CD1-CG2 4.42Å; L1049-V1053 WeakPolarHBondContact O-CG2 3.37Å; L1049-V1053 PolarHBondContact O-N 3.32Å
1050L93.4Very high90.3Very high1 Ų160.6 Ų60.61%0.00532%0.321CS..Hα-helixtrans-62.9-47-178.8-66.5173.9000111.4I1021 V1024 L1046 Y1047 H1052 V1053 V1054 A1066 A1069 L1070I1021-L1050 HydrophobicContact CG2-CD2 4.25Å; V1024-L1050 HydrophobicContact CB-CD2 4.38Å; V1024-L1050 HydrophobicContact CG1-CD1 4.11Å; V1024-L1050 HydrophobicContact CG1-CD2 4.08Å; V1024-L1050 HydrophobicContact CG1-CG 4.34Å; L1046-L1050 VanDerWaalsContact O-CG 3.27Å; L1046-L1050 WeakPolarHBondContact O-CG 3.48Å; L1046-L1050 PolarHBondContact O-N 2.95Å; Y1047-L1050 PolarHBondContact O-N 3.39Å; L1050-H1052 PolarHBondContact O-N 3.15Å; L1050-V1053 PolarHBondContact O-N 3.45Å; L1050-V1054 WeakPolarHBondContact O-CG2 3.47Å; L1050-V1054 PolarHBondContact O-N 3.11Å; L1050-A1066 HydrophobicContact CD2-CB 4.12Å; L1050-A1069 HydrophobicContact CD1-CB 3.53Å; L1050-A1069 HydrophobicContact CD2-CB 3.54Å; L1050-A1069 HydrophobicContact CG-CB 4.17Å; L1050-L1070 HydrophobicContact CB-CD1 4.34Å; L1050-L1070 HydrophobicContact CB-CD2 3.83Å; L1050-L1070 HydrophobicContact CB-CG 3.89Å; L1050-L1070 HydrophobicContact CD1-CD2 4.06Å; L1050-L1070 HydrophobicContact CD1-CG 4.23Å
1051K93.1Very high90.6Very high87 Ų8759.1 Ų59.138%0.37831%0.308SS..Hα-helixtrans-58.4-46.8173.3-74.6-72.6-171171.90111.6Y1047 V1053 V1054 H1055 L1070Y1047-K1051 HydrophobicContact CE1-CG 4.17Å; Y1047-K1051 HydrophobicContact CE2-CG 4.29Å; Y1047-K1051 PolarHBondContact O-N 3.29Å; Y1047-K1051 WeakPolarHBondContact OH-CE 3.4Å; K1051-V1053 VanDerWaalsContact C-N 3.34Å; K1051-V1053 PolarHBondContact O-N 2.62Å; K1051-V1054 PolarHBondContact O-N 3.24Å; K1051-H1055 PolarHBondContact O-N 3.27Å; K1051-H1055 PolarHBondContact O-ND1 3.45Å; K1051-L1070 HydrophobicContact CD-CD1 4.22Å
1052H91.1Very high90.8Very high75 Ų7556 Ų5635%0.34728%0.282SS..Hα-helixtrans-57-45.3177.9178.289.2000112.3H1048 L1049 L1050 H1055 L1056H1048-H1052 WeakPolarHBondContact O-CB 3.15Å; H1048-H1052 PolarHBondContact O-N 2.82Å; L1049-H1052 WeakPolarHBondContact O-CB 3.46Å; L1049-H1052 PolarHBondContact O-N 3.06Å; L1050-H1052 PolarHBondContact O-N 3.15Å; H1052-H1055 PolarHBondContact O-N 3.38Å; H1052-L1056 WeakPolarHBondContact CE1-CD1 3.4Å; H1052-L1056 WeakPolarHBondContact ND1-CD1 3.46Å; H1052-L1056 WeakPolarHBondContact O-CB 3.47Å; H1052-L1056 PolarHBondContact O-N 2.8Å
1053V90.1Very high91Very high3 Ų358.8 Ų58.82%0.01829%0.294CS..Hα-helixtrans-62.4-45.6176.9167.70000111.9I1021 L1049 L1050 K1051 H1055 L1056 E1057 A1066I1021-V1053 HydrophobicContact CD1-CB 4.45Å; I1021-V1053 HydrophobicContact CD1-CG1 3.51Å; I1021-V1053 HydrophobicContact CD1-CG2 4.09Å; I1021-V1053 HydrophobicContact CG1-CG1 4.21Å; I1021-V1053 HydrophobicContact CG1-CG2 4.21Å; L1049-V1053 HydrophobicContact CD1-CG2 4.42Å; L1049-V1053 WeakPolarHBondContact O-CG2 3.37Å; L1049-V1053 PolarHBondContact O-N 3.32Å; L1050-V1053 PolarHBondContact O-N 3.45Å; K1051-V1053 VanDerWaalsContact C-N 3.34Å; K1051-V1053 PolarHBondContact O-N 2.62Å; V1053-H1055 VanDerWaalsContact C-N 3.26Å; V1053-H1055 PolarHBondContact O-N 3.4Å; V1053-L1056 PolarHBondContact O-N 3.25Å; V1053-E1057 HydrophobicContact CG1-CB 3.92Å; V1053-E1057 HydrophobicContact CG1-CG 4.35Å; V1053-E1057 WeakPolarHBondContact O-CB 3.18Å; V1053-E1057 PolarHBondContact O-N 3.44Å; V1053-A1066 HydrophobicContact CB-CB 4.06Å; V1053-A1066 HydrophobicContact CG1-CB 3.63Å
1054V91.8Very high91.1Very high32 Ų3261.6 Ų61.619%0.19431%0.309CS..Hα-helixtrans-57.5-39-179.7170.30000112.3L1050 K1051 A1066 Q1067 L1070L1050-V1054 WeakPolarHBondContact O-CG2 3.47Å; L1050-V1054 PolarHBondContact O-N 3.11Å; K1051-V1054 PolarHBondContact O-N 3.24Å; V1054-A1066 HydrophobicContact CG2-CB 3.67Å; V1054-Q1067 HydrophobicContact CG2-CG 4.05Å; V1054-L1070 HydrophobicContact CG2-CD1 4.14Å
1055H88.7Confident91.3Very high137 Ų13758.1 Ų58.163%0.63429%0.294SS*.Hα-helixtrans-81.2-43.1-178.6-63.987.7000113.2K1051 H1052 V1053K1051-H1055 PolarHBondContact O-N 3.27Å; K1051-H1055 PolarHBondContact O-ND1 3.45Å; H1052-H1055 PolarHBondContact O-N 3.38Å; V1053-H1055 VanDerWaalsContact C-N 3.26Å; V1053-H1055 PolarHBondContact O-N 3.4Å
1056L88.3Confident91.5Very high122 Ų12254.3 Ų54.364%0.63927%0.274SS*.Hα-helixtrans-108.8-21.1-164-68166000115.6H1052 V1053H1052-L1056 WeakPolarHBondContact CE1-CD1 3.4Å; H1052-L1056 WeakPolarHBondContact ND1-CD1 3.46Å; H1052-L1056 WeakPolarHBondContact O-CB 3.47Å; H1052-L1056 PolarHBondContact O-N 2.8Å; V1053-L1056 PolarHBondContact O-N 3.25Å
1057E89.5Confident91.6Very high16 Ų1658.5 Ų58.58%0.07529%0.293CS..  trans-69.5130.4-179.3-177.957.5-138.300110R1017 V1053 D1059 A1062 K1063R1017-E1057 IonicContact CZ-OE1 2.78Å; R1017-E1057 VanDerWaalsContact CZ-OE1 3.3Å; R1017-E1057 IonicContact CZ-OE2 3.67Å; R1017-E1057 VanDerWaalsContact NE-CD 3.35Å; R1017-E1057 IonicContact NE-OE1 3.61Å; R1017-E1057 PolarHBondContact NE-OE1 3.39Å; R1017-E1057 IonicContact NE-OE2 2.64Å; R1017-E1057 PolarHBondContact NE-OE2 3.39Å; R1017-E1057 IonicContact NH2-OE1 3.99Å; R1017-E1057 PolarHBondContact NH2-OE1 2.75Å; R1017-E1057 IonicContact NH2-OE2 2.69Å; V1053-E1057 HydrophobicContact CG1-CB 3.92Å; V1053-E1057 HydrophobicContact CG1-CG 4.35Å; V1053-E1057 WeakPolarHBondContact O-CB 3.18Å; V1053-E1057 PolarHBondContact O-N 3.44Å; E1057-D1059 VanDerWaalsContact C-N 3.25Å; E1057-D1059 HydrophobicContact CG-CB 4.21Å; E1057-D1059 PolarHBondContact O-N 2.64Å; E1057-A1062 HydrophobicContact CG-CB 3.57Å; E1057-K1063 WeakPolarHBondContact O-CE 3.46Å
1058P87.3Confident91.6Very high107 Ų10756.9 Ų56.970%0.69529%0.29SS*.SBendtrans-75.2-10.3179.428.7-37.2000114.2
1059D93.5Very high91.7Very high25 Ų2553.2 Ų53.213%0.13427%0.273CS..  trans-99.4121.3-172.2-179.274.8000113.7V1014 R1018 E1057 V1061 A1062 K1063V1014-D1059 HydrophobicContact CG1-CB 3.6Å; V1014-D1059 WeakPolarHBondContact CG1-OD1 3.46Å; R1018-D1059 WeakPolarHBondContact CG-OD2 3.25Å; R1018-D1059 IonicContact CZ-OD1 2.76Å; R1018-D1059 IonicContact CZ-OD2 3.7Å; R1018-D1059 IonicContact NE-OD1 3.95Å; R1018-D1059 PolarHBondContact NE-OD1 3.22Å; R1018-D1059 IonicContact NE-OD2 2.7Å; R1018-D1059 PolarHBondContact NE-OD2 3.04Å; R1018-D1059 IonicContact NH2-OD1 3.79Å; R1018-D1059 PolarHBondContact NH2-OD1 3.19Å; R1018-D1059 IonicContact NH2-OD2 2.73Å; E1057-D1059 VanDerWaalsContact C-N 3.25Å; E1057-D1059 HydrophobicContact CG-CB 4.21Å; E1057-D1059 PolarHBondContact O-N 2.64Å; D1059-V1061 VanDerWaalsContact C-N 3.3Å; D1059-V1061 PolarHBondContact O-N 3.46Å; D1059-V1061 WeakPolarHBondContact OD2-CB 3.48Å; D1059-V1061 PolarHBondContact OD2-N 3.2Å; D1059-A1062 HydrophobicContact CB-CB 4.07Å; D1059-A1062 PolarHBondContact O-N 3.26Å; D1059-A1062 WeakPolarHBondContact OD2-CB 3.23Å; D1059-A1062 PolarHBondContact OD2-N 3.42Å; D1059-K1063 PolarHBondContact O-N 3.04Å
1060D91.1Very high91.7Very high127 Ų12754 Ų5468%0.67928%0.278SS*.Hα-helixtrans-63.2-30.8-176.3-63.4-39.5000113.8L1064D1060-L1064 WeakPolarHBondContact O-CB 3.39Å; D1060-L1064 PolarHBondContact O-N 3.05Å
1061V92.3Very high91.7Very high57 Ų5759.5 Ų59.535%0.34530%0.303SS..Hα-helixtrans-73.9-40.2179.1-177.90000110.5R1018 D1059 L1064 H1065R1018-V1061 HydrophobicContact CG-CB 4.35Å; R1018-V1061 HydrophobicContact CG-CG1 4.37Å; D1059-V1061 VanDerWaalsContact C-N 3.3Å; D1059-V1061 PolarHBondContact O-N 3.46Å; D1059-V1061 WeakPolarHBondContact OD2-CB 3.48Å; D1059-V1061 PolarHBondContact OD2-N 3.2Å; V1061-L1064 PolarHBondContact O-N 3.46Å; V1061-H1065 PolarHBondContact O-N 3.5Å
1062A91.1Very high91.6Very high0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-64.2-40.9172.800000111.8R1018 I1021 E1057 D1059 H1065 A1066R1018-A1062 HydrophobicContact CG-CB 3.97Å; I1021-A1062 HydrophobicContact CD1-CB 3.64Å; E1057-A1062 HydrophobicContact CG-CB 3.57Å; D1059-A1062 HydrophobicContact CB-CB 4.07Å; D1059-A1062 PolarHBondContact O-N 3.26Å; D1059-A1062 WeakPolarHBondContact OD2-CB 3.23Å; D1059-A1062 PolarHBondContact OD2-N 3.42Å; A1062-H1065 PolarHBondContact O-N 2.78Å; A1062-A1066 PolarHBondContact O-N 3.25Å
1063K92.6Very high91.7Very high61 Ų6155 Ų5527%0.26528%0.284SS..Hα-helixtrans-59.6-47.2170.4-70.2-170.6-173-168.60112.3E1057 D1059 H1065 A1066 Q1067E1057-K1063 WeakPolarHBondContact O-CE 3.46Å; D1059-K1063 PolarHBondContact O-N 3.04Å; K1063-H1065 VanDerWaalsContact C-N 3.35Å; K1063-H1065 PolarHBondContact O-N 3.15Å; K1063-A1066 PolarHBondContact O-N 3.42Å; K1063-A1066 VanDerWaalsContact O-N 3.09Å; K1063-Q1067 WeakPolarHBondContact O-CG 3.47Å; K1063-Q1067 PolarHBondContact O-N 2.93Å
1064L92.6Very high91.7Very high89 Ų8958.6 Ų58.647%0.46630%0.303SS..Hα-helixtrans-61.1-42.7178.6179.863.6000111.6D1060 V1061 A1066 Q1067 L1068D1060-L1064 WeakPolarHBondContact O-CB 3.39Å; D1060-L1064 PolarHBondContact O-N 3.05Å; V1061-L1064 PolarHBondContact O-N 3.46Å; L1064-A1066 VanDerWaalsContact C-N 3.29Å; L1064-A1066 PolarHBondContact O-N 3.32Å; L1064-Q1067 PolarHBondContact O-N 3.08Å; L1064-L1068 HydrophobicContact CD1-CG 4.49Å; L1064-L1068 HydrophobicContact CG-CD1 4.25Å; L1064-L1068 WeakPolarHBondContact O-CB 3.39Å; L1064-L1068 VanDerWaalsContact O-CG 3.29Å; L1064-L1068 WeakPolarHBondContact O-CG 3.32Å; L1064-L1068 PolarHBondContact O-N 3.19Å
1065H92.9Very high91.6Very high35 Ų3561.2 Ų61.216%0.16232%0.316CS..Hα-helixtrans-60.9-38.6173.2-71.4178.8000112.1R1018 I1021 H1022 V1025 V1061 A1062 K1063 A1069R1018-H1065 PolarHBondContact O-ND1 3.08Å; I1021-H1065 HydrophobicContact CB-CB 4.27Å; I1021-H1065 HydrophobicContact CG2-CB 3.66Å; H1022-H1065 AromaticContact CG-CE1 3.89Å; H1022-H1065 AromaticContact ND1-CD2 3.87Å; H1022-H1065 AromaticContact ND1-CE1 3.38Å; H1022-H1065 PolarHBondContact ND1-CE1 3.31Å; H1022-H1065 AromaticContact ND1-CG 3.99Å; H1022-H1065 AromaticContact ND1-ND1 3.69Å; H1022-H1065 AromaticContact ND1-NE2 3.47Å; H1022-H1065 PolarHBondContact ND1-NE2 3Å; V1025-H1065 HydrophobicContact CG2-CB 4.43Å; V1025-H1065 WeakPolarHBondContact CG2-O 3.36Å; V1061-H1065 PolarHBondContact O-N 3.5Å; A1062-H1065 PolarHBondContact O-N 2.78Å; K1063-H1065 VanDerWaalsContact C-N 3.35Å; K1063-H1065 PolarHBondContact O-N 3.15Å; H1065-A1069 PolarHBondContact O-N 2.87Å
1066A93.9Very high91.7Very high0 Ų055.3 Ų55.30%029%0.289CS..Hα-helixtrans-71.1-36.917800000112.9I1021 L1050 V1053 V1054 A1062 K1063 L1064 A1069 L1070I1021-A1066 HydrophobicContact CG2-CB 3.92Å; L1050-A1066 HydrophobicContact CD2-CB 4.12Å; V1053-A1066 HydrophobicContact CB-CB 4.06Å; V1053-A1066 HydrophobicContact CG1-CB 3.63Å; V1054-A1066 HydrophobicContact CG2-CB 3.67Å; A1062-A1066 PolarHBondContact O-N 3.25Å; K1063-A1066 PolarHBondContact O-N 3.42Å; K1063-A1066 VanDerWaalsContact O-N 3.09Å; L1064-A1066 VanDerWaalsContact C-N 3.29Å; L1064-A1066 PolarHBondContact O-N 3.32Å; A1066-A1069 PolarHBondContact O-N 3.41Å; A1066-L1070 WeakPolarHBondContact O-CG 3.48Å; A1066-L1070 PolarHBondContact O-N 3.07Å
1067Q93.1Very high91.7Very high90 Ų9052.2 Ų52.242%0.42127%0.272SS..Hα-helixtrans-62-48.7171.7-73.2171.9-23.400111.2V1054 K1063 L1064 A1069 L1070 E1071V1054-Q1067 HydrophobicContact CG2-CG 4.05Å; K1063-Q1067 WeakPolarHBondContact O-CG 3.47Å; K1063-Q1067 PolarHBondContact O-N 2.93Å; L1064-Q1067 PolarHBondContact O-N 3.08Å; Q1067-A1069 VanDerWaalsContact C-N 3.31Å; Q1067-A1069 PolarHBondContact O-N 3.47Å; Q1067-L1070 WeakPolarHBondContact O-CB 3.17Å; Q1067-L1070 PolarHBondContact O-N 3.48Å; Q1067-E1071 WeakPolarHBondContact O-CG 3.37Å; Q1067-E1071 PolarHBondContact O-N 3.48Å
1068L92.7Very high91.6Very high51 Ų5156.4 Ų56.427%0.26729%0.29SS..Hα-helixtrans-58.2-41.1175.7-71.2169.6000112L1064 L1070 E1071 E1072L1064-L1068 HydrophobicContact CD1-CG 4.49Å; L1064-L1068 HydrophobicContact CG-CD1 4.25Å; L1064-L1068 WeakPolarHBondContact O-CB 3.39Å; L1064-L1068 VanDerWaalsContact O-CG 3.29Å; L1064-L1068 WeakPolarHBondContact O-CG 3.32Å; L1064-L1068 PolarHBondContact O-N 3.19Å; L1068-L1070 VanDerWaalsContact C-N 3.33Å; L1068-L1070 PolarHBondContact O-N 2.92Å; L1068-E1071 PolarHBondContact O-N 3.3Å; L1068-E1072 WeakPolarHBondContact O-CG 3.3Å; L1068-E1072 PolarHBondContact O-N 3.23Å
1069A93.7Very high91.5Very high0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-65.8-34.217600000113V1024 V1025 L1028 L1050 H1065 A1066 Q1067 L1073V1024-A1069 HydrophobicContact CG1-CB 4.4Å; V1025-A1069 HydrophobicContact CG2-CB 3.82Å; L1028-A1069 HydrophobicContact CD1-CB 4.14Å; L1028-A1069 VanDerWaalsContact CD1-O 3.26Å; L1028-A1069 WeakPolarHBondContact CD1-O 3.39Å; L1050-A1069 HydrophobicContact CD1-CB 3.53Å; L1050-A1069 HydrophobicContact CD2-CB 3.54Å; L1050-A1069 HydrophobicContact CG-CB 4.17Å; H1065-A1069 PolarHBondContact O-N 2.87Å; A1066-A1069 PolarHBondContact O-N 3.41Å; Q1067-A1069 VanDerWaalsContact C-N 3.31Å; Q1067-A1069 PolarHBondContact O-N 3.47Å; A1069-L1073 WeakPolarHBondContact O-CB 3.5Å; A1069-L1073 PolarHBondContact O-N 3.43Å; A1069-L1073 VanDerWaalsContact O-N 3.1Å
1070L93.5Very high91.1Very high20 Ų2060.2 Ų60.211%0.10530%0.298CS..Hα-helixtrans-69.8-40.7174-71.2169.3000111.7Y1047 L1050 K1051 V1054 A1066 Q1067 L1068 L1073 D1074Y1047-L1070 HydrophobicContact CD2-CD2 3.62Å; Y1047-L1070 HydrophobicContact CE2-CD2 3.74Å; L1050-L1070 HydrophobicContact CB-CD1 4.34Å; L1050-L1070 HydrophobicContact CB-CD2 3.83Å; L1050-L1070 HydrophobicContact CB-CG 3.89Å; L1050-L1070 HydrophobicContact CD1-CD2 4.06Å; L1050-L1070 HydrophobicContact CD1-CG 4.23Å; K1051-L1070 HydrophobicContact CD-CD1 4.22Å; V1054-L1070 HydrophobicContact CG2-CD1 4.14Å; A1066-L1070 WeakPolarHBondContact O-CG 3.48Å; A1066-L1070 PolarHBondContact O-N 3.07Å; Q1067-L1070 WeakPolarHBondContact O-CB 3.17Å; Q1067-L1070 PolarHBondContact O-N 3.48Å; L1068-L1070 VanDerWaalsContact C-N 3.33Å; L1068-L1070 PolarHBondContact O-N 2.92Å; L1070-L1073 PolarHBondContact O-N 3.21Å; L1070-D1074 WeakPolarHBondContact O-CB 3.48Å; L1070-D1074 PolarHBondContact O-N 3.43Å
1071E92.9Very high90.7Very high116 Ų11659.2 Ų59.254%0.54229%0.292SS..Hα-helixtrans-61.5-45.5175.6-71.2174.117600112Q1067 L1068 L1073 D1074 D1075Q1067-E1071 WeakPolarHBondContact O-CG 3.37Å; Q1067-E1071 PolarHBondContact O-N 3.48Å; L1068-E1071 PolarHBondContact O-N 3.3Å; E1071-L1073 VanDerWaalsContact C-N 3.34Å; E1071-L1073 PolarHBondContact O-N 3.17Å; E1071-D1074 PolarHBondContact O-N 3.04Å; E1071-D1075 PolarHBondContact O-N 3.5Å
1072E92Very high90.3Very high56 Ų5664.1 Ų64.126%0.26231%0.31SS..Hα-helixtrans-62.3-40.6175.7-62.5-81.6168.600111.5L1028 R1029 L1068 D1075 I1076L1028-E1072 HydrophobicContact CB-CB 4.41Å; R1029-E1072 HydrophobicContact CG-CG 4.24Å; R1029-E1072 WeakPolarHBondContact CG-OE2 3.43Å; R1029-E1072 IonicContact CZ-OE1 2.8Å; R1029-E1072 VanDerWaalsContact NE-CD 3.32Å; R1029-E1072 IonicContact NE-OE1 2.86Å; R1029-E1072 PolarHBondContact NE-OE1 3.17Å; R1029-E1072 IonicContact NE-OE2 3.08Å; R1029-E1072 IonicContact NH2-OE1 2.73Å; R1029-E1072 PolarHBondContact NH2-OE1 3.04Å; L1068-E1072 WeakPolarHBondContact O-CG 3.3Å; L1068-E1072 PolarHBondContact O-N 3.23Å; E1072-D1075 PolarHBondContact O-N 3.2Å; E1072-I1076 WeakPolarHBondContact O-CD1 3.36Å; E1072-I1076 VanDerWaalsContact O-CG1 3.23Å; E1072-I1076 WeakPolarHBondContact O-CG1 3.49Å; E1072-I1076 PolarHBondContact O-N 2.93Å
1073L92.1Very high89.6Confident10 Ų1068.4 Ų68.45%0.05234%0.337CS..Hα-helixtrans-67-42.8176.5179.656.7000112.1L1028 L1043 Y1047 A1069 L1070 E1071 D1075 I1076 M1077L1028-L1073 HydrophobicContact CD1-CB 4.18Å; L1028-L1073 HydrophobicContact CD2-CD1 4.33Å; L1043-L1073 HydrophobicContact CD1-CD1 3.74Å; L1043-L1073 HydrophobicContact CD2-CD1 4.31Å; L1043-L1073 HydrophobicContact CG-CD1 4.26Å; Y1047-L1073 HydrophobicContact CD2-CD2 3.97Å; A1069-L1073 WeakPolarHBondContact O-CB 3.5Å; A1069-L1073 PolarHBondContact O-N 3.43Å; A1069-L1073 VanDerWaalsContact O-N 3.1Å; L1070-L1073 PolarHBondContact O-N 3.21Å; E1071-L1073 VanDerWaalsContact C-N 3.34Å; E1071-L1073 PolarHBondContact O-N 3.17Å; L1073-D1075 VanDerWaalsContact C-N 3.31Å; L1073-D1075 PolarHBondContact O-N 3.49Å; L1073-I1076 PolarHBondContact O-N 3.06Å; L1073-M1077 HydrophobicContact CD1-CG 4.14Å; L1073-M1077 WeakPolarHBondContact O-CB 3.41Å; L1073-M1077 WeakPolarHBondContact O-CG 3.5Å; L1073-M1077 PolarHBondContact O-N 3.44Å
1074D90.6Very high88.6Confident80 Ų8069.6 Ų69.643%0.42836%0.359SS..Hα-helixtrans-60.5-41.2176.3-83.7-5000111.1L1070 E1071 M1077 K1078L1070-D1074 WeakPolarHBondContact O-CB 3.48Å; L1070-D1074 PolarHBondContact O-N 3.43Å; E1071-D1074 PolarHBondContact O-N 3.04Å; D1074-M1077 PolarHBondContact O-N 3.37Å; D1074-K1078 WeakPolarHBondContact O-CB 3.38Å; D1074-K1078 WeakPolarHBondContact O-CD 3.3Å; D1074-K1078 WeakPolarHBondContact O-CG 3.4Å; D1074-K1078 PolarHBondContact O-N 3.04Å
1075D89.6Confident87.3Confident87 Ų8774.4 Ų74.447%0.46538%0.379SS..Hα-helixtrans-71.6-36.1177.4-79.2-2.2000112.5E1071 E1072 L1073 K1078 N1079E1071-D1075 PolarHBondContact O-N 3.5Å; E1072-D1075 PolarHBondContact O-N 3.2Å; L1073-D1075 VanDerWaalsContact C-N 3.31Å; L1073-D1075 PolarHBondContact O-N 3.49Å; D1075-K1078 IonicContact OD1-NZ 3.24Å; D1075-K1078 PolarHBondContact OD1-NZ 2.91Å; D1075-N1079 WeakPolarHBondContact O-CB 3.4Å; D1075-N1079 PolarHBondContact O-N 2.92Å; D1075-N1079 VanDerWaalsContact O-N 3.1Å; D1075-N1079 PolarHBondContact O-ND2 3.42Å
1076I89.8Confident85.8Confident12 Ų1280.6 Ų80.66%0.06241%0.405CS..Hα-helixtrans-60.3-47.5169.4-70.1163.2000110.3L1028 A1035 T1036 E1072 L1073 N1079 F1080L1028-I1076 HydrophobicContact CB-CD1 4.31Å; L1028-I1076 HydrophobicContact CD2-CD1 4.41Å; A1035-I1076 HydrophobicContact CB-CD1 4.14Å; A1035-I1076 HydrophobicContact CB-CG2 4.34Å; T1036-I1076 HydrophobicContact CG2-CG2 4.08Å; E1072-I1076 WeakPolarHBondContact O-CD1 3.36Å; E1072-I1076 VanDerWaalsContact O-CG1 3.23Å; E1072-I1076 WeakPolarHBondContact O-CG1 3.49Å; E1072-I1076 PolarHBondContact O-N 2.93Å; L1073-I1076 PolarHBondContact O-N 3.06Å; I1076-N1079 PolarHBondContact O-N 2.87Å; I1076-F1080 WeakPolarHBondContact O-CB 3.47Å; I1076-F1080 PolarHBondContact O-N 3.47Å
1077M88.8Confident84Confident57 Ų5788.9 Ų88.928%0.28145%0.449SS..Hα-helixtrans-67.2-39.1-179-72.9-55.3-55.100112.9T1036 L1043 L1073 D1074 F1080 L1081T1036-M1077 HydrophobicContact CG2-SD 4Å; L1043-M1077 HydrophobicContact CD2-SD 4.49Å; L1073-M1077 HydrophobicContact CD1-CG 4.14Å; L1073-M1077 WeakPolarHBondContact O-CB 3.41Å; L1073-M1077 WeakPolarHBondContact O-CG 3.5Å; L1073-M1077 PolarHBondContact O-N 3.44Å; D1074-M1077 PolarHBondContact O-N 3.37Å; M1077-F1080 HydrophobicContact CE-CD1 4.32Å; M1077-F1080 PolarHBondContact O-N 2.96Å; M1077-L1081 HydrophobicContact CE-CD1 4.37Å; M1077-L1081 HydrophobicContact CE-CG 4.39Å; M1077-L1081 WeakPolarHBondContact O-CB 3.08Å; M1077-L1081 WeakPolarHBondContact O-CG 3.28Å; M1077-L1081 PolarHBondContact O-N 2.86Å
1078K87.1Confident82.4Confident105 Ų10591.8 Ų91.846%0.45746%0.462SS..Hα-helixtrans-59.8-45.5172.6-73.1163.8-150.3154.60111.4D1074 D1075 F1080 L1081 F1082D1074-K1078 WeakPolarHBondContact O-CB 3.38Å; D1074-K1078 WeakPolarHBondContact O-CD 3.3Å; D1074-K1078 WeakPolarHBondContact O-CG 3.4Å; D1074-K1078 PolarHBondContact O-N 3.04Å; D1075-K1078 IonicContact OD1-NZ 3.24Å; D1075-K1078 PolarHBondContact OD1-NZ 2.91Å; K1078-F1080 VanDerWaalsContact C-N 3.3Å; K1078-F1080 PolarHBondContact O-N 3.23Å; K1078-L1081 PolarHBondContact O-N 2.74Å; K1078-F1082 WeakPolarHBondContact O-CA 3.34Å; K1078-F1082 WeakPolarHBondContact O-CB 3.35Å; K1078-F1082 PolarHBondContact O-N 3.07Å
1079N85.6Confident80.4Confident85 Ų8598.8 Ų98.846%0.45549%0.49SS..Hα-helixtrans-66.2-31.6178.5-76.9-59.9000112.8D1075 I1076 P1083D1075-N1079 WeakPolarHBondContact O-CB 3.4Å; D1075-N1079 PolarHBondContact O-N 2.92Å; D1075-N1079 VanDerWaalsContact O-N 3.1Å; D1075-N1079 PolarHBondContact O-ND2 3.42Å; I1076-N1079 PolarHBondContact O-N 2.87Å; N1079-P1083 WeakPolarHBondContact O-CA 3.37Å
1080F85Confident78.2Confident126 Ų126108.1 Ų108.155%0.55353%0.531SS*.Hα-helixtrans-73.8-44.9175.9-179.3-99.6000112.7T1036 I1076 M1077 K1078T1036-F1080 HydrophobicContact CG2-CB 4.26Å; T1036-F1080 HydrophobicContact CG2-CD2 4.05Å; T1036-F1080 HydrophobicContact CG2-CG 4.03Å; I1076-F1080 WeakPolarHBondContact O-CB 3.47Å; I1076-F1080 PolarHBondContact O-N 3.47Å; M1077-F1080 HydrophobicContact CE-CD1 4.32Å; M1077-F1080 PolarHBondContact O-N 2.96Å; K1078-F1080 VanDerWaalsContact C-N 3.3Å; K1078-F1080 PolarHBondContact O-N 3.23Å
1081L83.8Confident76.4Confident106 Ų106114 Ų11456%0.55556%0.561SS**Hα-helixtrans-76.3-32.5-179.6-66.9171.9000113M1077 K1078 P1083M1077-L1081 HydrophobicContact CE-CD1 4.37Å; M1077-L1081 HydrophobicContact CE-CG 4.39Å; M1077-L1081 WeakPolarHBondContact O-CB 3.08Å; M1077-L1081 WeakPolarHBondContact O-CG 3.28Å; M1077-L1081 PolarHBondContact O-N 2.86Å; K1078-L1081 PolarHBondContact O-N 2.74Å; L1081-P1083 VanDerWaalsContact C-CD 3.45Å; L1081-P1083 WeakPolarHBondContact O-CD 3.29Å
1082F83.9Confident74.6Confident161 Ų161113.6 Ų113.671%0.70657%0.566SS**SBendtrans-125.267-177.9-54.4-74000110.9K1078 A1084K1078-F1082 WeakPolarHBondContact O-CA 3.34Å; K1078-F1082 WeakPolarHBondContact O-CB 3.35Å; K1078-F1082 PolarHBondContact O-N 3.07Å; F1082-A1084 PolarHBondContact O-N 3Å
1083P76.2Confident72.8Confident90 Ų90117 Ų11758%0.58459%0.591SS**  trans-61.3131.1-179.925.9-34.5000110.9N1079 L1081 Q1085N1079-P1083 WeakPolarHBondContact O-CA 3.37Å; L1081-P1083 VanDerWaalsContact C-CD 3.45Å; L1081-P1083 WeakPolarHBondContact O-CD 3.29Å; P1083-Q1085 PolarHBondContact O-N 3.34Å; P1083-Q1085 VanDerWaalsContact O-N 3.12Å
1084A71.3Confident70.3Confident86 Ų86122.5 Ų122.571%0.71162%0.619SS**  trans-60.2116.8-179.600000111F1082 K1086F1082-A1084 PolarHBondContact O-N 3Å; A1084-K1086 PolarHBondContact O-N 2.91Å
1085Q64.1Low68.7Low189 Ų189126 Ų12688%0.88365%0.646SS**  trans-65.696.8-178.3-67.4-175.90.200111.3P1083 L1087P1083-Q1085 PolarHBondContact O-N 3.34Å; P1083-Q1085 VanDerWaalsContact O-N 3.12Å; Q1085-L1087 PolarHBondContact O-N 2.6Å
1086K63.1Low67.6Low165 Ų165128 Ų12872%0.71766%0.655SS**  trans-76.6115.5168.9-66.7-177.4-179.5175.10109.4A1084 E1088A1084-K1086 PolarHBondContact O-N 2.91Å; K1086-E1088 HydrophobicContact CB-CG 4.1Å; K1086-E1088 WeakPolarHBondContact CD-OE1 3.35Å; K1086-E1088 PolarHBondContact O-N 3.11Å
1087L56.2Low66.5Low175 Ų175134.1 Ų134.192%0.91669%0.687SS**  trans-73.468.4173-74.5168.1000111.1Q1085 K1089Q1085-L1087 PolarHBondContact O-N 2.6Å; L1087-K1089 PolarHBondContact O-N 3.07Å
1088E58.1Low65.2Low151 Ų151138.3 Ų138.371%0.70671%0.709SS**  trans-81.4114.2175.8-69.6-179.9-164.800110.3K1086 K1090K1086-E1088 HydrophobicContact CB-CG 4.1Å; K1086-E1088 WeakPolarHBondContact CD-OE1 3.35Å; K1086-E1088 PolarHBondContact O-N 3.11Å; E1088-K1090 PolarHBondContact O-N 2.67Å
1089K50.9Low64Low198 Ų198140.3 Ų140.386%0.86172%0.724SS**  trans-68.994.5173.4-77-173.9176.1-178.80110.1L1087 I1091L1087-K1089 PolarHBondContact O-N 3.07Å; K1089-I1091 PolarHBondContact O-N 2.82Å
1090K48.3Very low62.6Low195 Ų195143.8 Ų143.885%0.84874%0.741SS**  trans-63.295.4162.1-94-175.2173.1178.20109.7E1088 V1092E1088-K1090 PolarHBondContact O-N 2.67Å; K1090-V1092 PolarHBondContact O-N 2.91Å
1091I56Low61.1Low145 Ų145144.9 Ų144.974%0.74475%0.753SS**  trans-78.499.2164-58.6176.6000106.6K1089 V1093K1089-I1091 PolarHBondContact O-N 2.82Å; I1091-V1093 HydrophobicContact CG2-CG2 4.26Å; I1091-V1093 PolarHBondContact O-N 3.37Å
1092V54.2Low59.5Low106 Ų106147.7 Ų147.764%0.64277%0.768SS**  trans-84.8106.3169.5-177.90000107.3K1090 L1094K1090-V1092 PolarHBondContact O-N 2.91Å; V1092-L1094 HydrophobicContact CG1-CD2 4.21Å; V1092-L1094 HydrophobicContact CG1-CG 4.39Å; V1092-L1094 PolarHBondContact O-N 2.99Å
1093V53.8Low57.6Low128 Ų128146.7 Ų146.778%0.77677%0.772SS**  trans-79.9110162.6-178.40000105.8I1091I1091-V1093 HydrophobicContact CG2-CG2 4.26Å; I1091-V1093 PolarHBondContact O-N 3.37Å
1094L40.2Very low56.1Low126 Ų126151.4 Ų151.466%0.6679%0.788SS**  trans-70.4141.7171.6-68.7163.7000108.8V1092V1092-L1094 HydrophobicContact CG1-CD2 4.21Å; V1092-L1094 HydrophobicContact CG1-CG 4.39Å; V1092-L1094 PolarHBondContact O-N 2.99Å
1095P56.5Low54.7Low153 Ų153157.4 Ų157.499%0.99480%0.795SS**  trans-63.30169.830-34.2000111.4

Retrieved 1,095 of 1,095 residues in 350 ms (Link to these results)

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