A0A5K4EZV5_SCHMA Loading...

Coiled-coil domain-containing protein AlphaSync

Dynein-attachment factor required for cilia motility.

AlphaFold DB , UniProt , Accession A0A5K4EZV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 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
1M68.5Low92.5Very high189 Ų189117.9 Ų117.993%0.93162%0.616SS**  0-54.90-71.6-54.4-100.300111.8N3 L4 E5M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.09Å; M1-N3 VanDerWaalsContact O-N 3.13Å; M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.2Å; M1-E5 PolarHBondContact O-N 3.39Å
2N90.5Very high92.8Very high125 Ų125115.8 Ų115.867%0.66860%0.604SS**Hα-helixtrans-55.2-35-175.6-51.85.9000115.5L4 K6N2-L4 VanDerWaalsContact C-N 3.34Å; N2-K6 WeakPolarHBondContact O-CB 3.44Å; N2-K6 PolarHBondContact O-N 3.49Å
3N93.4Very high92.9Very high140 Ų140111.5 Ų111.575%0.74960%0.596SS**Hα-helixtrans-64.8-38.6176.6-79.6-2.6000112.6M1 E7M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.09Å; M1-N3 VanDerWaalsContact O-N 3.13Å; N3-E7 WeakPolarHBondContact O-CB 3.34Å; N3-E7 PolarHBondContact O-N 2.85Å
4L94Very high93Very high113 Ų113115 Ų11559%0.59260%0.603SS**Hα-helixtrans-71.4-41.7179.8-176.665.7000110.8M1 N2 E7 M8M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.2Å; N2-L4 VanDerWaalsContact C-N 3.34Å; L4-E7 PolarHBondContact O-N 2.89Å; L4-M8 WeakPolarHBondContact O-CB 3.34Å; L4-M8 PolarHBondContact O-N 3.5Å
5E95.9Very high93.3Very high110 Ų110114 Ų11451%0.51459%0.594SS.*Hα-helixtrans-59.8-46.9174.1-175.8175.8-166.100111.3M1 E7 M8 D9M1-E5 PolarHBondContact O-N 3.39Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 3.26Å; E5-M8 WeakPolarHBondContact O-CB 3.29Å; E5-M8 PolarHBondContact O-N 3.28Å; E5-D9 PolarHBondContact O-N 2.72Å
6K95.4Very high93.4Very high155 Ų155110.8 Ų110.867%0.67459%0.585SS**Hα-helixtrans-60.5-40.4175.3-176.7179.9178.9-1790113N2 S10N2-K6 WeakPolarHBondContact O-CB 3.44Å; N2-K6 PolarHBondContact O-N 3.49Å; K6-S10 VanDerWaalsContact O-CB 3.24Å; K6-S10 WeakPolarHBondContact O-CB 3.39Å; K6-S10 PolarHBondContact O-N 3.46Å
7E95.6Very high93.3Very high137 Ų137113.6 Ų113.664%0.6459%0.585SS**Hα-helixtrans-65.6-42.1177-174.8173.8-175.500111.3N3 L4 E5 S10 A11N3-E7 WeakPolarHBondContact O-CB 3.34Å; N3-E7 PolarHBondContact O-N 2.85Å; L4-E7 PolarHBondContact O-N 2.89Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 3.26Å; E7-S10 PolarHBondContact O-N 3.32Å; E7-A11 PolarHBondContact O-N 3.04Å
8M95.9Very high93.5Very high106 Ų106114.4 Ų114.452%0.52258%0.581SS.*Hα-helixtrans-61.9-50175.3-177.51797100111.8L4 E5 S10 A11 I12L4-M8 WeakPolarHBondContact O-CB 3.34Å; L4-M8 PolarHBondContact O-N 3.5Å; E5-M8 WeakPolarHBondContact O-CB 3.29Å; E5-M8 PolarHBondContact O-N 3.28Å; M8-S10 VanDerWaalsContact C-N 3.3Å; M8-S10 PolarHBondContact O-N 2.95Å; M8-A11 WeakPolarHBondContact O-CB 3.34Å; M8-A11 PolarHBondContact O-N 2.87Å; M8-A11 VanDerWaalsContact O-N 3.15Å; M8-I12 HydrophobicContact CG-CD1 4.03Å; M8-I12 WeakPolarHBondContact O-CG1 3.49Å; M8-I12 PolarHBondContact O-N 3.4Å
9D95.9Very high93.6Very high85 Ų85116.5 Ų116.546%0.45558%0.581SS.*Hα-helixtrans-62-39.4178.6-71.1-22.2000111.9E5 A11 I12 A13E5-D9 PolarHBondContact O-N 2.72Å; D9-A11 VanDerWaalsContact C-N 3.34Å; D9-A11 PolarHBondContact O-N 3.37Å; D9-I12 PolarHBondContact O-N 2.75Å; D9-A13 WeakPolarHBondContact O-CB 3.2Å; D9-A13 PolarHBondContact O-N 3.38Å
10S95.8Very high93.7Very high79 Ų79114.6 Ų114.655%0.55257%0.572SS**Hα-helixtrans-61.5-42.3174.9-177.20000111.8K6 E7 M8 K14K6-S10 VanDerWaalsContact O-CB 3.24Å; K6-S10 WeakPolarHBondContact O-CB 3.39Å; K6-S10 PolarHBondContact O-N 3.46Å; E7-S10 PolarHBondContact O-N 3.32Å; M8-S10 VanDerWaalsContact C-N 3.3Å; M8-S10 PolarHBondContact O-N 2.95Å; S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 2.87Å
11A96.1Very high93.8Very high58 Ų58111.5 Ų111.548%0.47956%0.556SS.*Hα-helixtrans-65-43.9176.100000111.8E7 M8 D9 K14 E15E7-A11 PolarHBondContact O-N 3.04Å; M8-A11 WeakPolarHBondContact O-CB 3.34Å; M8-A11 PolarHBondContact O-N 2.87Å; M8-A11 VanDerWaalsContact O-N 3.15Å; D9-A11 VanDerWaalsContact C-N 3.34Å; D9-A11 PolarHBondContact O-N 3.37Å; A11-K14 PolarHBondContact O-N 3.46Å; A11-E15 WeakPolarHBondContact O-CB 3.46Å; A11-E15 PolarHBondContact O-N 2.91Å
12I96.6Very high95.1Very high93 Ų93105 Ų10548%0.47753%0.525SS..Hα-helixtrans-63-43.8177.2-67.5167.3000111.1M8 D9 E15 S16M8-I12 HydrophobicContact CG-CD1 4.03Å; M8-I12 WeakPolarHBondContact O-CG1 3.49Å; M8-I12 PolarHBondContact O-N 3.4Å; D9-I12 PolarHBondContact O-N 2.75Å; I12-E15 PolarHBondContact O-N 3.5Å; I12-S16 WeakPolarHBondContact O-CB 3.38Å; I12-S16 PolarHBondContact O-N 3.4Å; I12-S16 PolarHBondContact O-OG 3.38Å
13A93.7Very high95.4Very high60 Ų60102.4 Ų102.450%0.49651%0.511SS..Hα-helixtrans-64.4-40.917800000111.7D9 S16 R17D9-A13 WeakPolarHBondContact O-CB 3.2Å; D9-A13 PolarHBondContact O-N 3.38Å; A13-S16 PolarHBondContact O-N 2.89Å; A13-R17 VanDerWaalsContact O-CB 3.31Å; A13-R17 WeakPolarHBondContact O-CB 3.28Å; A13-R17 PolarHBondContact O-N 2.92Å
14K95Very high95.5Very high160 Ų16095.9 Ų95.970%0.69648%0.477SS*.Hα-helixtrans-64.6-43.6176.5-172.5179.7-180-1770111.8S10 A11 R17 Y18S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 2.87Å; A11-K14 PolarHBondContact O-N 3.46Å; K14-R17 PolarHBondContact O-N 3.26Å; K14-Y18 WeakPolarHBondContact O-CB 3.5Å; K14-Y18 PolarHBondContact O-N 2.98Å
15E96.9Very high95.6Very high100 Ų10094.4 Ų94.447%0.46747%0.465SS..Hα-helixtrans-62.1-51.5176-169.362.3-15100110.4A11 I12 R17 Y18 W19A11-E15 WeakPolarHBondContact O-CB 3.46Å; A11-E15 PolarHBondContact O-N 2.91Å; I12-E15 PolarHBondContact O-N 3.5Å; E15-R17 VanDerWaalsContact C-N 3.26Å; E15-R17 PolarHBondContact O-N 2.91Å; E15-Y18 WeakPolarHBondContact O-CB 3.41Å; E15-Y18 PolarHBondContact O-N 3.4Å; E15-W19 PolarHBondContact O-N 2.92Å; E15-W19 PolarHBondContact OE1-NE1 3.4Å
16S94.3Very high95.6Very high63 Ų6392.8 Ų92.844%0.44146%0.46SS..Hα-helixtrans-55.6-42.7178.2-58.90000111.8I12 A13 W19 L20I12-S16 WeakPolarHBondContact O-CB 3.38Å; I12-S16 PolarHBondContact O-N 3.4Å; I12-S16 PolarHBondContact O-OG 3.38Å; A13-S16 PolarHBondContact O-N 2.89Å; S16-W19 PolarHBondContact O-N 3.24Å; S16-L20 WeakPolarHBondContact O-CG 3.43Å; S16-L20 PolarHBondContact O-N 3.44Å; S16-L20 VanDerWaalsContact O-N 3.11Å
17R93.2Very high95.6Very high158 Ų15890.9 Ų90.960%0.59645%0.448SS*.Hα-helixtrans-65.4-43.4176.5-178174.7176.81504.3112.4A13 K14 E15 W19 L20 E21A13-R17 VanDerWaalsContact O-CB 3.31Å; A13-R17 WeakPolarHBondContact O-CB 3.28Å; A13-R17 PolarHBondContact O-N 2.92Å; K14-R17 PolarHBondContact O-N 3.26Å; E15-R17 VanDerWaalsContact C-N 3.26Å; E15-R17 PolarHBondContact O-N 2.91Å; R17-W19 VanDerWaalsContact C-N 3.29Å; R17-W19 PolarHBondContact O-N 3.11Å; R17-L20 PolarHBondContact O-N 3.05Å; R17-E21 HydrophobicContact CG-CG 4.38Å; R17-E21 IonicContact CZ-OE1 2.53Å; R17-E21 IonicContact NE-OE1 2.73Å; R17-E21 PolarHBondContact NE-OE1 3.25Å; R17-E21 IonicContact NH2-OE1 2.82Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 3.5Å
18Y95.5Very high95.6Very high129 Ų12984.3 Ų84.351%0.50642%0.418SS..Hα-helixtrans-57.2-44.3176.7170.8-95.3000111.6K14 E15 E21 N22K14-Y18 WeakPolarHBondContact O-CB 3.5Å; K14-Y18 PolarHBondContact O-N 2.98Å; E15-Y18 WeakPolarHBondContact O-CB 3.41Å; E15-Y18 PolarHBondContact O-N 3.4Å; Y18-E21 PolarHBondContact O-N 2.87Å; Y18-N22 WeakPolarHBondContact O-CB 3.29Å; Y18-N22 PolarHBondContact O-N 2.68Å
19W96.1Very high95.6Very high154 Ų15484.3 Ų84.358%0.58342%0.423SS*.Hα-helixtrans-63.2-43.7176.7-74.4104.5000112.6E15 S16 R17 N22 D23E15-W19 PolarHBondContact O-N 2.92Å; E15-W19 PolarHBondContact OE1-NE1 3.4Å; S16-W19 PolarHBondContact O-N 3.24Å; R17-W19 VanDerWaalsContact C-N 3.29Å; R17-W19 PolarHBondContact O-N 3.11Å; W19-N22 PolarHBondContact O-N 3.21Å; W19-D23 VanDerWaalsContact O-CB 3.28Å; W19-D23 WeakPolarHBondContact O-CB 3.49Å; W19-D23 PolarHBondContact O-N 3.49Å
20L94.9Very high95.6Very high77 Ų7787.4 Ų87.440%0.40344%0.435SS..Hα-helixtrans-62.5-43.1176.4-70.6172.8000112.3S16 R17 A24 C46S16-L20 WeakPolarHBondContact O-CG 3.43Å; S16-L20 PolarHBondContact O-N 3.44Å; S16-L20 VanDerWaalsContact O-N 3.11Å; R17-L20 PolarHBondContact O-N 3.05Å; L20-A24 VanDerWaalsContact O-CB 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.29Å; L20-A24 PolarHBondContact O-N 3.21Å; L20-C46 HydrophobicContact CB-CB 4.27Å
21E95.8Very high95.5Very high50 Ų5090.1 Ų90.123%0.23444%0.439CS..Hα-helixtrans-65.4-42.9177.3-73.9179.8-167.600111.3R17 Y18 A24 K25 V43 C46R17-E21 HydrophobicContact CG-CG 4.38Å; R17-E21 IonicContact CZ-OE1 2.53Å; R17-E21 IonicContact NE-OE1 2.73Å; R17-E21 PolarHBondContact NE-OE1 3.25Å; R17-E21 IonicContact NH2-OE1 2.82Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 3.5Å; Y18-E21 PolarHBondContact O-N 2.87Å; E21-A24 PolarHBondContact O-N 3.46Å; E21-K25 WeakPolarHBondContact O-CG 3.28Å; E21-K25 PolarHBondContact O-N 3.33Å; E21-V43 HydrophobicContact CB-CG1 4.48Å; E21-V43 HydrophobicContact CG-CG1 4.5Å; E21-C46 VanDerWaalsContact CG-SG 3.59Å
22N96.7Very high95.4Very high52 Ų5290 Ų9028%0.27844%0.443SS..Hα-helixtrans-66-43.9178.4-171.261.4000112.1Y18 W19 A24 K25 I26Y18-N22 WeakPolarHBondContact O-CB 3.29Å; Y18-N22 PolarHBondContact O-N 2.68Å; W19-N22 PolarHBondContact O-N 3.21Å; N22-A24 VanDerWaalsContact C-N 3.35Å; N22-A24 PolarHBondContact O-N 3.42Å; N22-K25 WeakPolarHBondContact O-CB 3.37Å; N22-K25 PolarHBondContact O-N 3Å; N22-I26 WeakPolarHBondContact O-CG1 3.46Å; N22-I26 PolarHBondContact O-N 2.84Å
23D96.4Very high95.3Very high72 Ų7287.4 Ų87.439%0.38543%0.432SS..Hα-helixtrans-59.9-44.4173.6176.479000111.6W19 K25 I26 R27W19-D23 VanDerWaalsContact O-CB 3.28Å; W19-D23 WeakPolarHBondContact O-CB 3.49Å; W19-D23 PolarHBondContact O-N 3.49Å; D23-K25 PolarHBondContact O-N 3.45Å; D23-I26 PolarHBondContact O-N 3.24Å; D23-R27 WeakPolarHBondContact O-CB 3.36Å; D23-R27 WeakPolarHBondContact O-CG 3.31Å; D23-R27 PolarHBondContact O-N 3.49Å; D23-R27 IonicContact OD2-CZ 3.07Å; D23-R27 IonicContact OD2-NE 2.75Å; D23-R27 PolarHBondContact OD2-NE 3.06Å; D23-R27 IonicContact OD2-NH2 2.98Å; D23-R27 PolarHBondContact OD2-NH2 3.44Å
24A95.2Very high95.2Very high3 Ų390.3 Ų90.33%0.02545%0.445CS..Hα-helixtrans-62.2-40.9175.300000112.5L20 E21 N22 R27 A28 V43 C46L20-A24 VanDerWaalsContact O-CB 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.29Å; L20-A24 PolarHBondContact O-N 3.21Å; E21-A24 PolarHBondContact O-N 3.46Å; N22-A24 VanDerWaalsContact C-N 3.35Å; N22-A24 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 3.39Å; A24-A28 WeakPolarHBondContact O-CB 3.33Å; A24-A28 PolarHBondContact O-N 3.49Å; A24-V43 HydrophobicContact CB-CG2 4.48Å; A24-C46 HydrophobicContact CB-CB 3.62Å
25K96.8Very high95.3Very high81 Ų8186 Ų8635%0.35243%0.432SS..Hα-helixtrans-60.6-46.6174.3-70.8168.3-173.9167.60111.3E21 N22 D23 A28 V29 F39 V43E21-K25 WeakPolarHBondContact O-CG 3.28Å; E21-K25 PolarHBondContact O-N 3.33Å; N22-K25 WeakPolarHBondContact O-CB 3.37Å; N22-K25 PolarHBondContact O-N 3Å; D23-K25 PolarHBondContact O-N 3.45Å; K25-A28 PolarHBondContact O-N 3.43Å; K25-V29 WeakPolarHBondContact O-CG2 3.36Å; K25-V29 PolarHBondContact O-N 3.48Å; K25-F39 HydrophobicContact CB-CE2 4.24Å; K25-F39 HydrophobicContact CB-CZ 4.02Å; K25-F39 HydrophobicContact CG-CE1 4.44Å; K25-F39 HydrophobicContact CG-CE2 4.36Å; K25-F39 HydrophobicContact CG-CZ 3.7Å; K25-V43 HydrophobicContact CB-CG2 4.4Å; K25-V43 HydrophobicContact CG-CG1 4.23Å; K25-V43 HydrophobicContact CG-CG2 3.56Å
26I96.5Very high95.3Very high77 Ų7789.2 Ų89.240%0.39544%0.442SS..Hα-helixtrans-62.1-46.1178.1-68.2167.2000110.2N22 D23 A28 V29 Q30N22-I26 WeakPolarHBondContact O-CG1 3.46Å; N22-I26 PolarHBondContact O-N 2.84Å; D23-I26 PolarHBondContact O-N 3.24Å; I26-A28 PolarHBondContact O-N 3.37Å; I26-V29 PolarHBondContact O-N 3.2Å; I26-Q30 HydrophobicContact CG2-CG 4.31Å; I26-Q30 WeakPolarHBondContact O-CB 3.38Å; I26-Q30 VanDerWaalsContact O-CG 3.28Å; I26-Q30 WeakPolarHBondContact O-CG 3.48Å; I26-Q30 PolarHBondContact O-N 3.38Å
27R94.7Very high95.4Very high114 Ų11490.7 Ų90.743%0.4345%0.445SS..Hα-helixtrans-60.9-44.4177.1-75.7-171.5-70.6168.3-0.5112.4D23 A24 V29 Q30 Q31D23-R27 WeakPolarHBondContact O-CB 3.36Å; D23-R27 WeakPolarHBondContact O-CG 3.31Å; D23-R27 PolarHBondContact O-N 3.49Å; D23-R27 IonicContact OD2-CZ 3.07Å; D23-R27 IonicContact OD2-NE 2.75Å; D23-R27 PolarHBondContact OD2-NE 3.06Å; D23-R27 IonicContact OD2-NH2 2.98Å; D23-R27 PolarHBondContact OD2-NH2 3.44Å; A24-R27 PolarHBondContact O-N 3.39Å; R27-V29 VanDerWaalsContact C-N 3.34Å; R27-V29 PolarHBondContact O-N 3.32Å; R27-Q30 PolarHBondContact O-N 3.45Å; R27-Q31 WeakPolarHBondContact O-CB 3.41Å; R27-Q31 VanDerWaalsContact O-CG 3.29Å; R27-Q31 WeakPolarHBondContact O-CG 3.44Å; R27-Q31 PolarHBondContact O-N 3.16Å
28A95.8Very high95.5Very high0 Ų086 Ų860%043%0.431CS..Hα-helixtrans-62.6-40.4178.300000112A24 K25 I26 G32 V33 F39 L42A24-A28 WeakPolarHBondContact O-CB 3.33Å; A24-A28 PolarHBondContact O-N 3.49Å; K25-A28 PolarHBondContact O-N 3.43Å; I26-A28 PolarHBondContact O-N 3.37Å; A28-G32 PolarHBondContact O-N 3.4Å; A28-V33 HydrophobicContact CB-CG2 4.33Å; A28-V33 PolarHBondContact O-N 3.07Å; A28-F39 HydrophobicContact CB-CD2 3.54Å; A28-F39 HydrophobicContact CB-CE2 3.96Å; A28-F39 HydrophobicContact CB-CG 4.46Å; A28-L42 HydrophobicContact CB-CB 4.27Å; A28-L42 HydrophobicContact CB-CD1 3.65Å
29V95.3Very high95.5Very high106 Ų10682.1 Ų82.164%0.64242%0.417SS*.Hα-helixtrans-65.7-44.2174.2172.20000111.2K25 I26 R27 Q31 G32 F39K25-V29 WeakPolarHBondContact O-CG2 3.36Å; K25-V29 PolarHBondContact O-N 3.48Å; I26-V29 PolarHBondContact O-N 3.2Å; R27-V29 VanDerWaalsContact C-N 3.34Å; R27-V29 PolarHBondContact O-N 3.32Å; V29-Q31 PolarHBondContact O-N 3.42Å; V29-G32 PolarHBondContact O-N 2.86Å; V29-G32 VanDerWaalsContact O-N 3.09Å; V29-F39 HydrophobicContact CG2-CE2 4.12Å
30Q95.9Very high95.6Very high150 Ų15081 Ų8170%0.70141%0.413SS*.Hα-helixtrans-64.4-38.2178.5-75.4174.1-1500112.8I26 R27 G32I26-Q30 HydrophobicContact CG2-CG 4.31Å; I26-Q30 WeakPolarHBondContact O-CB 3.38Å; I26-Q30 VanDerWaalsContact O-CG 3.28Å; I26-Q30 WeakPolarHBondContact O-CG 3.48Å; I26-Q30 PolarHBondContact O-N 3.38Å; R27-Q30 PolarHBondContact O-N 3.45Å; Q30-G32 PolarHBondContact O-N 2.95Å
31Q93.6Very high95.6Very high136 Ų13683.8 Ų83.864%0.63642%0.424SS*.Hα-helixtrans-70-17.2174.6-73.3176.6-900112.6R27 V29R27-Q31 WeakPolarHBondContact O-CB 3.41Å; R27-Q31 VanDerWaalsContact O-CG 3.29Å; R27-Q31 WeakPolarHBondContact O-CG 3.44Å; R27-Q31 PolarHBondContact O-N 3.16Å; V29-Q31 PolarHBondContact O-N 3.42Å
32G94.3Very high95.5Very high55 Ų5584.7 Ų84.757%0.56743%0.43SS*.THydrogen-bonded Turntrans66.948.1179.200000112.4A28 V29 Q30A28-G32 PolarHBondContact O-N 3.4Å; V29-G32 PolarHBondContact O-N 2.86Å; V29-G32 VanDerWaalsContact O-N 3.09Å; Q30-G32 PolarHBondContact O-N 2.95Å
33V93.8Very high95.5Very high38 Ų3883.2 Ų83.223%0.2342%0.423CS..  trans-57.5135.1-178.5-67.80000112.2A28 T35 D38 F39 L42A28-V33 HydrophobicContact CB-CG2 4.33Å; A28-V33 PolarHBondContact O-N 3.07Å; V33-T35 PolarHBondContact O-N 3.43Å; V33-D38 HydrophobicContact CB-CB 3.91Å; V33-D38 HydrophobicContact CG1-CB 4.31Å; V33-D38 HydrophobicContact CG2-CB 4.47Å; V33-F39 HydrophobicContact CG2-CB 3.75Å; V33-F39 HydrophobicContact CG2-CD2 4.38Å; V33-L42 HydrophobicContact CG1-CD1 3.49Å; V33-L42 VanDerWaalsContact CG1-CD1 3.49Å
34P93.6Very high95.4Very high121 Ų12182.6 Ų82.679%0.78643%0.428SS*.SBendtrans-69.2-33.8-170.2-21.533000114.6
35T96.2Very high95.3Very high69 Ų6983.6 Ų83.642%0.42344%0.438SS..SBendtrans-124.4158.4-174.473.60000112.5V33 D37 D38 F39V33-T35 PolarHBondContact O-N 3.43Å; T35-D37 PolarHBondContact O-N 3.33Å; T35-D37 PolarHBondContact OG1-N 2.78Å; T35-D38 PolarHBondContact N-OD2 2.93Å; T35-D38 PolarHBondContact O-N 2.88Å; T35-D38 PolarHBondContact OG1-N 3.42Å; T35-D38 PolarHBondContact OG1-OD2 2.93Å; T35-F39 PolarHBondContact O-N 3.15Å
36Y96.1Very high95.1Very high168 Ų16880.3 Ų80.366%0.65943%0.425SS*.Hα-helixtrans-64.5-30172.5178.1-101.2000112.2F39 R40Y36-F39 HydrophobicContact CD2-CD1 4.36Å; Y36-F39 HydrophobicContact CE2-CD1 4.22Å; Y36-F39 WeakPolarHBondContact O-CB 3.43Å; Y36-F39 PolarHBondContact O-N 3Å; Y36-R40 HydrophobicContact CE1-CB 4.43Å; Y36-R40 VanDerWaalsContact O-CB 3.29Å; Y36-R40 WeakPolarHBondContact O-CB 3.25Å; Y36-R40 PolarHBondContact O-N 3.21Å
37D96.9Very high94.7Very high95 Ų9582.5 Ų82.551%0.50843%0.433SS..Hα-helixtrans-66.2-41.5176.9-80.4-39000111.7T35 F39 R40 E41T35-D37 PolarHBondContact O-N 3.33Å; T35-D37 PolarHBondContact OG1-N 2.78Å; D37-F39 PolarHBondContact O-N 2.88Å; D37-R40 PolarHBondContact O-N 2.92Å; D37-R40 IonicContact OD1-NE 3.48Å; D37-R40 IonicContact OD1-NH2 3.41Å; D37-E41 WeakPolarHBondContact O-CB 3.41Å; D37-E41 PolarHBondContact O-N 2.97Å
38D95.1Very high94.5Very high58 Ų5883 Ų8331%0.3144%0.444SS..Hα-helixtrans-61.4-44.8173.5-56.9-42.3000111.2V33 T35 R40 E41 L42V33-D38 HydrophobicContact CB-CB 3.91Å; V33-D38 HydrophobicContact CG1-CB 4.31Å; V33-D38 HydrophobicContact CG2-CB 4.47Å; T35-D38 PolarHBondContact N-OD2 2.93Å; T35-D38 PolarHBondContact O-N 2.88Å; T35-D38 PolarHBondContact OG1-N 3.42Å; T35-D38 PolarHBondContact OG1-OD2 2.93Å; D38-R40 VanDerWaalsContact C-N 3.33Å; D38-R40 PolarHBondContact O-N 3.35Å; D38-E41 PolarHBondContact O-N 2.96Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.49Å
39F96.7Very high93.9Very high49 Ų4992 Ų9222%0.21548%0.483CS..Hα-helixtrans-58.4-47175176.9-91.4000111.3K25 A28 V29 V33 T35 Y36 D37 E41 L42 V43K25-F39 HydrophobicContact CB-CE2 4.24Å; K25-F39 HydrophobicContact CB-CZ 4.02Å; K25-F39 HydrophobicContact CG-CE1 4.44Å; K25-F39 HydrophobicContact CG-CE2 4.36Å; K25-F39 HydrophobicContact CG-CZ 3.7Å; A28-F39 HydrophobicContact CB-CD2 3.54Å; A28-F39 HydrophobicContact CB-CE2 3.96Å; A28-F39 HydrophobicContact CB-CG 4.46Å; V29-F39 HydrophobicContact CG2-CE2 4.12Å; V33-F39 HydrophobicContact CG2-CB 3.75Å; V33-F39 HydrophobicContact CG2-CD2 4.38Å; T35-F39 PolarHBondContact O-N 3.15Å; Y36-F39 HydrophobicContact CD2-CD1 4.36Å; Y36-F39 HydrophobicContact CE2-CD1 4.22Å; Y36-F39 WeakPolarHBondContact O-CB 3.43Å; Y36-F39 PolarHBondContact O-N 3Å; D37-F39 PolarHBondContact O-N 2.88Å; F39-E41 VanDerWaalsContact C-N 3.34Å; F39-E41 PolarHBondContact O-N 3.39Å; F39-L42 PolarHBondContact O-N 2.86Å; F39-V43 HydrophobicContact CD1-CG2 4.31Å; F39-V43 HydrophobicContact CE1-CG2 3.98Å; F39-V43 HydrophobicContact CE2-CG2 4.39Å; F39-V43 HydrophobicContact CZ-CG2 4.04Å; F39-V43 VanDerWaalsContact O-CG2 3.29Å; F39-V43 WeakPolarHBondContact O-CG2 3.34Å; F39-V43 PolarHBondContact O-N 2.9Å
40R96.5Very high93.4Very high130 Ų13092.8 Ų92.849%0.49149%0.491SS..Hα-helixtrans-63.4-40.9-179.9-175.3-174.664.574.53.6111.2Y36 D37 D38 V43 A44Y36-R40 HydrophobicContact CE1-CB 4.43Å; Y36-R40 VanDerWaalsContact O-CB 3.29Å; Y36-R40 WeakPolarHBondContact O-CB 3.25Å; Y36-R40 PolarHBondContact O-N 3.21Å; D37-R40 PolarHBondContact O-N 2.92Å; D37-R40 IonicContact OD1-NE 3.48Å; D37-R40 IonicContact OD1-NH2 3.41Å; D38-R40 VanDerWaalsContact C-N 3.33Å; D38-R40 PolarHBondContact O-N 3.35Å; R40-V43 PolarHBondContact O-N 2.95Å; R40-A44 VanDerWaalsContact O-CB 3.25Å; R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.95Å
41E96.2Very high92.7Very high135 Ų13590.6 Ų90.663%0.63148%0.483SS*.Hα-helixtrans-65.7-44.4178.5-173.1170.5-176.100111.8D37 D38 F39 V43 A44 G45D37-E41 WeakPolarHBondContact O-CB 3.41Å; D37-E41 PolarHBondContact O-N 2.97Å; D38-E41 PolarHBondContact O-N 2.96Å; F39-E41 VanDerWaalsContact C-N 3.34Å; F39-E41 PolarHBondContact O-N 3.39Å; E41-V43 PolarHBondContact O-N 3.14Å; E41-A44 PolarHBondContact O-N 2.85Å; E41-G45 PolarHBondContact O-N 3.44Å
42L93.8Very high92.2Very high70 Ų7088 Ų8837%0.36647%0.474SS..Hα-helixtrans-60.6-43.7175.4-73.4178.3000112.5A28 V33 D38 F39 G45 C46A28-L42 HydrophobicContact CB-CB 4.27Å; A28-L42 HydrophobicContact CB-CD1 3.65Å; V33-L42 HydrophobicContact CG1-CD1 3.49Å; V33-L42 VanDerWaalsContact CG1-CD1 3.49Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.49Å; F39-L42 PolarHBondContact O-N 2.86Å; L42-G45 PolarHBondContact O-N 3.28Å; L42-C46 PolarHBondContact O-N 3Å
43V96Very high91.5Very high21 Ų2195.1 Ų95.113%0.12748%0.483CS..Hα-helixtrans-69.4-37.7178.5177.80000111E21 A24 K25 F39 R40 E41 G45 C46E21-V43 HydrophobicContact CB-CG1 4.48Å; E21-V43 HydrophobicContact CG-CG1 4.5Å; A24-V43 HydrophobicContact CB-CG2 4.48Å; K25-V43 HydrophobicContact CB-CG2 4.4Å; K25-V43 HydrophobicContact CG-CG1 4.23Å; K25-V43 HydrophobicContact CG-CG2 3.56Å; F39-V43 HydrophobicContact CD1-CG2 4.31Å; F39-V43 HydrophobicContact CE1-CG2 3.98Å; F39-V43 HydrophobicContact CE2-CG2 4.39Å; F39-V43 HydrophobicContact CZ-CG2 4.04Å; F39-V43 VanDerWaalsContact O-CG2 3.29Å; F39-V43 WeakPolarHBondContact O-CG2 3.34Å; F39-V43 PolarHBondContact O-N 2.9Å; R40-V43 PolarHBondContact O-N 2.95Å; E41-V43 PolarHBondContact O-N 3.14Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 2.96Å; V43-C46 WeakPolarHBondContact O-CB 3.42Å; V43-C46 PolarHBondContact O-N 3.29Å; V43-C46 PolarHBondContact O-SG 3.04Å
44A94.4Very high90.8Very high59 Ų5998.8 Ų98.849%0.48850%0.501SS..Hα-helixtrans-62.9-38.5175.500000112R40 E41 C46 H47R40-A44 VanDerWaalsContact O-CB 3.25Å; R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.95Å; E41-A44 PolarHBondContact O-N 2.85Å; A44-C46 VanDerWaalsContact C-N 3.3Å; A44-C46 PolarHBondContact O-N 3.38Å; A44-H47 PolarHBondContact O-CE1 2.98Å; A44-H47 PolarHBondContact O-ND1 3.39Å
45G93.1Very high90.1Very high24 Ų2498.1 Ų98.125%0.24749%0.488CS..G310 helixtrans-78.42.5178.400000115.9E41 L42 V43 H47 L48E41-G45 PolarHBondContact O-N 3.44Å; L42-G45 PolarHBondContact O-N 3.28Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 2.96Å; G45-H47 PolarHBondContact O-N 3.33Å; G45-L48 WeakPolarHBondContact O-CB 3.24Å; G45-L48 PolarHBondContact O-N 3.01Å
46C91.8Very high89.1Confident12 Ų1299 Ų998%0.08149%0.489CS..G310 helixtrans-59.6-23.5-172.666.80000115.4L20 E21 A24 L42 V43 A44 L48L20-C46 HydrophobicContact CB-CB 4.27Å; E21-C46 VanDerWaalsContact CG-SG 3.59Å; A24-C46 HydrophobicContact CB-CB 3.62Å; L42-C46 PolarHBondContact O-N 3Å; V43-C46 WeakPolarHBondContact O-CB 3.42Å; V43-C46 PolarHBondContact O-N 3.29Å; V43-C46 PolarHBondContact O-SG 3.04Å; A44-C46 VanDerWaalsContact C-N 3.3Å; A44-C46 PolarHBondContact O-N 3.38Å; C46-L48 VanDerWaalsContact C-N 3.34Å
47H89Confident87.8Confident122 Ų12294.6 Ų94.657%0.56548%0.48SS*.G310 helixtrans-82.7-12.4179.765.1-80000112.9A44 G45A44-H47 PolarHBondContact O-CE1 2.98Å; A44-H47 PolarHBondContact O-ND1 3.39Å; G45-H47 PolarHBondContact O-N 3.33Å
48L90.5Very high86.5Confident124 Ų12496.5 Ų96.565%0.64949%0.49SS*.PPolyproline II helixtrans-75.9125175.8-60.2177.2000109.2G45 C46G45-L48 WeakPolarHBondContact O-CB 3.24Å; G45-L48 PolarHBondContact O-N 3.01Å; C46-L48 VanDerWaalsContact C-N 3.34Å
49K84Confident84.8Confident189 Ų18997.3 Ų97.382%0.82250%0.497SS*.PPolyproline II helixtrans-86.7143.8174-64.9179.5-177.6176.80109.1L51K49-L51 PolarHBondContact O-N 3.2Å
50P83.6Confident82.7Confident124 Ų12497.5 Ų97.581%0.80550%0.502SS*.PPolyproline II helixtrans-52.3136.3163.3-22.132.8000109.5D52P50-D52 PolarHBondContact O-N 2.98Å
51L81.3Confident80.6Confident103 Ų10393.9 Ų93.954%0.53951%0.506SS..PPolyproline II helixtrans-61.8126.6176.9-173.967.6000109.2K49 E55 L56K49-L51 PolarHBondContact O-N 3.2Å; L51-E55 HydrophobicContact CD1-CB 3.76Å; L51-E55 WeakPolarHBondContact CD1-OE2 3.47Å; L51-E55 HydrophobicContact CG-CB 4.36Å; L51-L56 HydrophobicContact CD2-CB 4.03Å; L51-L56 HydrophobicContact CD2-CD1 3.66Å; L51-L56 HydrophobicContact CD2-CG 4.43Å; L51-L56 HydrophobicContact CG-CB 4.38Å
52D84Confident78.5Confident82 Ų8295 Ų9544%0.43951%0.511SS..PPolyproline II helixtrans-69.5149177.6-177.128.3000110.4P50 L54 E55 L56P50-D52 PolarHBondContact O-N 2.98Å; D52-L54 PolarHBondContact O-N 3.13Å; D52-L54 WeakPolarHBondContact OD2-CB 3.34Å; D52-E55 HydrophobicContact CB-CB 4.24Å; D52-E55 HydrophobicContact CB-CG 4.04Å; D52-E55 PolarHBondContact O-N 3.5Å; D52-E55 VanDerWaalsContact O-N 3.16Å; D52-L56 WeakPolarHBondContact O-CB 3.46Å; D52-L56 PolarHBondContact O-N 2.8Å
53R79Confident76.5Confident204 Ų20498.7 Ų98.777%0.7752%0.52SS*.Hα-helixtrans-60.1-34.3177.8-174.6174.2178.6153-1.3111.2L56 T57R53-L56 WeakPolarHBondContact O-CB 3.45Å; R53-L56 PolarHBondContact O-N 3.06Å; R53-T57 WeakPolarHBondContact O-CG2 3.36Å; R53-T57 PolarHBondContact O-N 3.43Å; R53-T57 PolarHBondContact O-OG1 3.26Å
54L80Confident74.4Confident115 Ų115101.8 Ų101.860%0.60254%0.543SS*.Hα-helixtrans-71.9-39.4177.4-61172.9000111.9D52 L56 T57 N58D52-L54 PolarHBondContact O-N 3.13Å; D52-L54 WeakPolarHBondContact OD2-CB 3.34Å; L54-L56 VanDerWaalsContact C-N 3.3Å; L54-T57 WeakPolarHBondContact CA-OG1 3.48Å; L54-T57 PolarHBondContact O-N 3.16Å; L54-T57 PolarHBondContact O-OG1 2.84Å; L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.24Å
55E77.7Confident72.6Confident108 Ų108100.3 Ų100.351%0.50553%0.529SS..Hα-helixtrans-63.1-39.5171.5-69.2-178.5172.600111.1L51 D52 N58 T59L51-E55 HydrophobicContact CD1-CB 3.76Å; L51-E55 WeakPolarHBondContact CD1-OE2 3.47Å; L51-E55 HydrophobicContact CG-CB 4.36Å; D52-E55 HydrophobicContact CB-CB 4.24Å; D52-E55 HydrophobicContact CB-CG 4.04Å; D52-E55 PolarHBondContact O-N 3.5Å; D52-E55 VanDerWaalsContact O-N 3.16Å; E55-N58 PolarHBondContact O-N 3.5Å; E55-T59 WeakPolarHBondContact O-CB 3.29Å; E55-T59 WeakPolarHBondContact O-CG2 2.98Å; E55-T59 PolarHBondContact O-N 2.86Å; E55-T59 PolarHBondContact O-OG1 3.27Å
56L75.3Confident70.7Confident87 Ų87110.1 Ų110.146%0.45556%0.558SS.*Hα-helixtrans-61.7-46.6173-174.368.5000110.6L51 D52 R53 L54 N58 T59 V60L51-L56 HydrophobicContact CD2-CB 4.03Å; L51-L56 HydrophobicContact CD2-CD1 3.66Å; L51-L56 HydrophobicContact CD2-CG 4.43Å; L51-L56 HydrophobicContact CG-CB 4.38Å; D52-L56 WeakPolarHBondContact O-CB 3.46Å; D52-L56 PolarHBondContact O-N 2.8Å; R53-L56 WeakPolarHBondContact O-CB 3.45Å; R53-L56 PolarHBondContact O-N 3.06Å; L54-L56 VanDerWaalsContact C-N 3.3Å; L56-N58 PolarHBondContact O-N 2.81Å; L56-T59 WeakPolarHBondContact CA-OG1 3.35Å; L56-T59 CarbonylContact O-C 3.56Å; L56-T59 PolarHBondContact O-N 2.81Å; L56-T59 PolarHBondContact O-OG1 2.92Å; L56-V60 HydrophobicContact CG-CG2 4.32Å; L56-V60 WeakPolarHBondContact O-CB 3.45Å; L56-V60 WeakPolarHBondContact O-CG2 3.25Å; L56-V60 PolarHBondContact O-N 2.93Å
57T70.1Confident69.2Low75 Ų75115.2 Ų115.246%0.4659%0.585SS.*Hα-helixtrans-66.8-34.9178.750.50000113.6R53 L54 V60R53-T57 WeakPolarHBondContact O-CG2 3.36Å; R53-T57 PolarHBondContact O-N 3.43Å; R53-T57 PolarHBondContact O-OG1 3.26Å; L54-T57 WeakPolarHBondContact CA-OG1 3.48Å; L54-T57 PolarHBondContact O-N 3.16Å; L54-T57 PolarHBondContact O-OG1 2.84Å; T57-V60 WeakPolarHBondContact O-CB 3.34Å; T57-V60 PolarHBondContact O-N 3.43Å
58N69Low67.6Low135 Ų135112.7 Ų112.772%0.72257%0.571SS**Hα-helixtrans-70.7-35.1176.4-72.6-9.7000111.5L54 E55 L56 V60L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.24Å; E55-N58 PolarHBondContact O-N 3.5Å; L56-N58 PolarHBondContact O-N 2.81Å; N58-V60 VanDerWaalsContact C-N 3.35Å
59T58.9Low65.7Low75 Ų75110.9 Ų110.946%0.4657%0.568SS.*Hα-helixtrans-78.9-15.9172.354.20000113.1E55 L56 G61 Q62E55-T59 WeakPolarHBondContact O-CB 3.29Å; E55-T59 WeakPolarHBondContact O-CG2 2.98Å; E55-T59 PolarHBondContact O-N 2.86Å; E55-T59 PolarHBondContact O-OG1 3.27Å; L56-T59 WeakPolarHBondContact CA-OG1 3.35Å; L56-T59 CarbonylContact O-C 3.56Å; L56-T59 PolarHBondContact O-N 2.81Å; L56-T59 PolarHBondContact O-OG1 2.92Å; T59-G61 PolarHBondContact O-N 2.88Å; T59-Q62 CarbonylContact O-C 3.21Å; T59-Q62 WeakPolarHBondContact O-CA 2.99Å; T59-Q62 VanDerWaalsContact O-CB 3.25Å; T59-Q62 WeakPolarHBondContact O-CB 3.19Å; T59-Q62 PolarHBondContact O-N 3.3Å; T59-Q62 VanDerWaalsContact O-O 3.11Å
60V52.2Low64Low53 Ų53104.7 Ų104.732%0.32155%0.553SS.*G310 helixtrans-70.3-5.3171.4163.90000112.3L56 T57 N58 Q62 R63L56-V60 HydrophobicContact CG-CG2 4.32Å; L56-V60 WeakPolarHBondContact O-CB 3.45Å; L56-V60 WeakPolarHBondContact O-CG2 3.25Å; L56-V60 PolarHBondContact O-N 2.93Å; T57-V60 WeakPolarHBondContact O-CB 3.34Å; T57-V60 PolarHBondContact O-N 3.43Å; N58-V60 VanDerWaalsContact C-N 3.35Å; V60-Q62 PolarHBondContact O-N 2.93Å; V60-R63 HydrophobicContact CG1-CG 3.94Å; V60-R63 WeakPolarHBondContact O-CG 3.18Å
61G53.5Low62.5Low55 Ų55102 Ų10257%0.56753%0.531SS*.G310 helixtrans-64-15.3154.600000113.4T59T59-G61 PolarHBondContact O-N 2.88Å
62Q51.9Low61.1Low159 Ų159100.3 Ų100.374%0.74352%0.522SS*.G310 helixtrans-121.267.1174.1-60.7-77.2-78.100108.2T59 V60 S64T59-Q62 CarbonylContact O-C 3.21Å; T59-Q62 WeakPolarHBondContact O-CA 2.99Å; T59-Q62 VanDerWaalsContact O-CB 3.25Å; T59-Q62 WeakPolarHBondContact O-CB 3.19Å; T59-Q62 PolarHBondContact O-N 3.3Å; T59-Q62 VanDerWaalsContact O-O 3.11Å; V60-Q62 PolarHBondContact O-N 2.93Å; Q62-S64 PolarHBondContact O-N 3.23Å
63R50.8Low59.5Low146 Ų146101.9 Ų101.955%0.55154%0.539SS*.  trans-65.790.6-180-62.5-162.9173.2-153.9-2.7111.9V60 S65V60-R63 HydrophobicContact CG1-CG 3.94Å; V60-R63 WeakPolarHBondContact O-CG 3.18Å; R63-S65 PolarHBondContact O-N 3.31Å
64S51.3Low57.9Low86 Ų8696.6 Ų96.660%0.60153%0.526SS*.  trans-90.683.1164.3-68.20000109.7Q62 W66Q62-S64 PolarHBondContact O-N 3.23Å; S64-W66 PolarHBondContact O-N 3.29Å
65S58.5Low56.1Low28 Ų2895.3 Ų95.320%0.19652%0.52CS..  trans-83.1102.3167.4160.80000109R63 N67 Y68 I71R63-S65 PolarHBondContact O-N 3.31Å; S65-N67 PolarHBondContact O-N 3.33Å; S65-Y68 WeakPolarHBondContact O-CD2 3.32Å; S65-Y68 WeakPolarHBondContact O-CE2 3.1Å; S65-I71 WeakPolarHBondContact OG-CD1 3.42Å
66W53Low54.6Low231 Ų23198.4 Ų98.488%0.87554%0.54SS*.THydrogen-bonded Turntrans-61.4-23.6175.6-65.998.5000113.7S64S64-W66 PolarHBondContact O-N 3.29Å
67N60.1Low52.9Low119 Ų11996.9 Ų96.964%0.63654%0.537SS*.THydrogen-bonded Turntrans-111.859.9-177.5-70.9-27.2000112.5S65 S69 A70 I71S65-N67 PolarHBondContact O-N 3.33Å; N67-S69 PolarHBondContact O-N 3.24Å; N67-S69 VanDerWaalsContact O-N 3.16Å; N67-A70 HydrophobicContact CB-CB 4.26Å; N67-A70 PolarHBondContact O-N 3.4Å; N67-I71 PolarHBondContact O-N 3.18Å
68Y54.3Low51.6Low68 Ų6898.1 Ų98.127%0.26754%0.54SS..Hα-helixtrans-49.9-42.1179.1-67.7-78.4000112.8S65 A70 L72 L137S65-Y68 WeakPolarHBondContact O-CD2 3.32Å; S65-Y68 WeakPolarHBondContact O-CE2 3.1Å; Y68-A70 PolarHBondContact O-N 3.43Å; Y68-L72 WeakPolarHBondContact O-CD1 2.97Å; Y68-L72 PolarHBondContact O-N 3.16Å; Y68-L137 HydrophobicContact CD2-CD2 4.5Å; Y68-L137 HydrophobicContact CE2-CD2 4.15Å
69S50.2Low49.9Very low86 Ų86101.2 Ų101.260%0.60155%0.547SS*.Hα-helixtrans-68-31.1-175.7-47.50000114.2N67 L72 S73N67-S69 PolarHBondContact O-N 3.24Å; N67-S69 VanDerWaalsContact O-N 3.16Å; S69-L72 VanDerWaalsContact O-CB 3.29Å; S69-L72 WeakPolarHBondContact O-CB 3.16Å; S69-S73 PolarHBondContact O-N 3.41Å; S69-S73 PolarHBondContact O-OG 3.09Å
70A48.9Very low49Very low60 Ų60103.3 Ų103.350%0.49656%0.555SS.*Hα-helixtrans-77.7-39.1-179.700000111.8N67 Y68 L72 S73 N74N67-A70 HydrophobicContact CB-CB 4.26Å; N67-A70 PolarHBondContact O-N 3.4Å; Y68-A70 PolarHBondContact O-N 3.43Å; A70-L72 PolarHBondContact O-N 3.19Å; A70-S73 PolarHBondContact O-N 3.4Å; A70-N74 PolarHBondContact O-N 3.31Å
71I53.3Low47.9Very low67 Ų67109.1 Ų109.134%0.34458%0.579SS.*Hα-helixtrans-57.9-39.6172-60.2-169.4000110S65 N67 N74 N75 L78S65-I71 WeakPolarHBondContact OG-CD1 3.42Å; N67-I71 PolarHBondContact O-N 3.18Å; I71-N74 PolarHBondContact O-N 2.8Å; I71-N75 PolarHBondContact O-N 2.93Å; I71-N75 PolarHBondContact O-ND2 2.78Å; I71-N75 PolarHBondContact O-OD1 2.7Å; I71-N75 VanDerWaalsContact O-OD1 3.09Å; I71-L78 HydrophobicContact CG2-CD1 3.83Å
72L51.3Low47.2Very low68 Ų68112.8 Ų112.836%0.35659%0.593SS.*Hα-helixtrans-60.9-46.7178.2-109.476.5000114.5Y68 S69 A70 N74 R104Y68-L72 WeakPolarHBondContact O-CD1 2.97Å; Y68-L72 PolarHBondContact O-N 3.16Å; S69-L72 VanDerWaalsContact O-CB 3.29Å; S69-L72 WeakPolarHBondContact O-CB 3.16Å; A70-L72 PolarHBondContact O-N 3.19Å; L72-N74 VanDerWaalsContact C-N 3.29Å; L72-N74 PolarHBondContact O-N 3.27Å; L72-R104 HydrophobicContact CD2-CG 3.79Å; L72-R104 HydrophobicContact CG-CG 4.46Å
73S51Low46.2Very low114 Ų114108.1 Ų108.180%0.79759%0.587SS**Hα-helixtrans-73.8-26.4-174.7-58.60000111.6S69 A70S69-S73 PolarHBondContact O-N 3.41Å; S69-S73 PolarHBondContact O-OG 3.09Å; A70-S73 PolarHBondContact O-N 3.4Å
74N43.8Very low45.3Very low93 Ų93109.5 Ų109.550%0.49760%0.602SS.*THydrogen-bonded Turntrans-101.514.8-175.5-161.355.8000114.2A70 I71 L72 N76 S77A70-N74 PolarHBondContact O-N 3.31Å; I71-N74 PolarHBondContact O-N 2.8Å; L72-N74 VanDerWaalsContact C-N 3.29Å; L72-N74 PolarHBondContact O-N 3.27Å; N74-N76 PolarHBondContact O-N 3.23Å; N74-S77 PolarHBondContact ND2-OG 3.23Å; N74-S77 PolarHBondContact O-N 3.31Å
75N43Very low44.3Very low88 Ų88112 Ų11247%0.47161%0.608SS.*THydrogen-bonded Turntrans-71.530.4178.1-83-23.4000114.8I71 L78I71-N75 PolarHBondContact O-N 2.93Å; I71-N75 PolarHBondContact O-ND2 2.78Å; I71-N75 PolarHBondContact O-OD1 2.7Å; I71-N75 VanDerWaalsContact O-OD1 3.09Å; N75-L78 WeakPolarHBondContact OD1-CD1 3.5Å
76N45.5Very low43.3Very low174 Ų174116.6 Ų116.693%0.9364%0.641SS**THydrogen-bonded Turntrans-95-5.1150-80.5-4.7000112.8N74N74-N76 PolarHBondContact O-N 3.23Å
77S41.1Very low42.2Very low55 Ų55111 Ų11139%0.38563%0.632SS.*  trans-143.230.5-175.991.60000117.1N74 F79N74-S77 PolarHBondContact ND2-OG 3.23Å; N74-S77 PolarHBondContact O-N 3.31Å; S77-F79 VanDerWaalsContact C-N 3.34Å; S77-F79 PolarHBondContact O-N 3.45Å
78L41.1Very low41.6Very low100 Ų100109.9 Ų109.952%0.52463%0.625SS.*  trans-75.995.8159-76-179.3000109I71 N75 L80I71-L78 HydrophobicContact CG2-CD1 3.83Å; N75-L78 WeakPolarHBondContact OD1-CD1 3.5Å; L78-L80 PolarHBondContact O-N 3.36Å
79F33.6Very low40.9Very low200 Ų200110.8 Ų110.888%0.87764%0.64SS**  trans-5781.5158.5-80-97.7000109.5S77S77-F79 VanDerWaalsContact C-N 3.34Å; S77-F79 PolarHBondContact O-N 3.45Å
80L39.5Very low40.5Very low119 Ų119110.4 Ų110.462%0.62363%0.629SS**  trans-101117.9146.2-75.3156.4000104L78L78-L80 PolarHBondContact O-N 3.36Å
81E30.1Very low40.4Very low176 Ų176115.4 Ų115.482%0.82264%0.64SS**  trans-15.7126.5178.1-71.5-76.6114.200115.2G83E81-G83 VanDerWaalsContact C-N 3.34Å; E81-G83 PolarHBondContact O-N 2.87Å
82P39.1Very low40.2Very low132 Ų132115 Ų11586%0.85764%0.643SS**SBendtrans-73.688.8-175.331.6-32.6000109.3
83G30.5Very low40.5Very low60 Ų60112 Ų11262%0.61963%0.627SS**  trans-17447.6-174.900000114.6E81E81-G83 VanDerWaalsContact C-N 3.34Å; E81-G83 PolarHBondContact O-N 2.87Å
84M31.1Very low40.9Very low176 Ų176112.3 Ų112.387%0.86762%0.624SS**SBendtrans-169.994.4147.2-102.7162.216800111.1
85N30.6Very low42Very low137 Ų137109.5 Ų109.573%0.73361%0.61SS**  trans24.6118141.442.4-4.8000119.2T87N85-T87 PolarHBondContact O-N 3.35Å
86S37.9Very low43.2Very low125 Ų125106.1 Ų106.187%0.87459%0.594SS**SBendtrans-39.6103.5159.4-540000112.5
87T30.6Very low44.2Very low114 Ų114100.7 Ų100.770%0.69956%0.562SS**  trans177.4100.8148.9-65.10000101.1N85 P89N85-T87 PolarHBondContact O-N 3.35Å; T87-P89 VanDerWaalsContact C-N 3.32Å; T87-P89 WeakPolarHBondContact O-CD 3.42Å; T87-P89 WeakPolarHBondContact O-CG 3.43Å
88I47Very low45.6Very low95 Ų95102.6 Ų102.649%0.48757%0.565SS.*  trans-64.6103.6166-61.7169.5000103.3M90I88-M90 PolarHBondContact O-N 3.22Å
89P39.8Very low47.3Very low88 Ų8897.8 Ų97.857%0.57154%0.54SS*.  trans-65.9135.6178.9-9.428.7000104.9T87 K91T87-P89 VanDerWaalsContact C-N 3.32Å; T87-P89 WeakPolarHBondContact O-CD 3.42Å; T87-P89 WeakPolarHBondContact O-CG 3.43Å; P89-K91 PolarHBondContact O-N 3.01Å
90M41.5Very low49.2Very low78 Ų7888.9 Ų88.938%0.38450%0.502SS..  trans-65.757.2170.1-61.9-172.898.500110.4I88 E119 L120 N123I88-M90 PolarHBondContact O-N 3.22Å; M90-E119 HydrophobicContact CE-CB 3.9Å; M90-E119 HydrophobicContact CE-CG 3.6Å; M90-E119 VanDerWaalsContact SD-CD 3.59Å; M90-E119 HydrophobicContact SD-CG 4.08Å; M90-L120 HydrophobicContact CE-CB 4.34Å; M90-N123 PolarHBondContact O-ND2 3.16Å
91K46.4Very low50.8Low164 Ų16487.4 Ų87.471%0.71350%0.498SS*.  trans-85.2132.6175.9-173.1169.9-178.3-179.70107.4P89 I93P89-K91 PolarHBondContact O-N 3.01Å; K91-I93 PolarHBondContact O-N 3.42Å; K91-I93 VanDerWaalsContact O-N 3.11Å
92S48.9Very low52.9Low59 Ų5981 Ų8141%0.41347%0.468SS..  trans-40.4115.8178-49.30000110.8
93I58.5Low54.7Low5 Ų574.9 Ų74.93%0.02643%0.428CS..  trans-74.7136.8-176.5-55.9175.8000107.6K91 T95 E98 F99 Q102 L120 Q124K91-I93 PolarHBondContact O-N 3.42Å; K91-I93 VanDerWaalsContact O-N 3.11Å; I93-T95 VanDerWaalsContact CG2-O 3.28Å; I93-T95 WeakPolarHBondContact CG2-O 2.91Å; I93-E98 HydrophobicContact CG2-CB 3.27Å; I93-E98 HydrophobicContact CG2-CG 4.38Å; I93-E98 WeakPolarHBondContact CG2-OE2 2.99Å; I93-F99 HydrophobicContact CD1-CB 3.96Å; I93-F99 HydrophobicContact CD1-CD2 4.14Å; I93-F99 HydrophobicContact CD1-CG 4.46Å; I93-F99 HydrophobicContact CG2-CB 4.21Å; I93-Q102 HydrophobicContact CD1-CB 4.21Å; I93-Q102 HydrophobicContact CD1-CG 4.11Å; I93-L120 HydrophobicContact CD1-CD2 4.44Å; I93-Q124 VanDerWaalsContact CB-OE1 3.3Å
94T59.7Low56.8Low120 Ų12075.8 Ų75.874%0.73641%0.413SS*.  trans-93.7-24.5-177.3-56.70000111.9E98T94-E98 PolarHBondContact N-OE2 3.38Å
95T67.2Low58.7Low34 Ų3472.1 Ų72.121%0.20939%0.393CS..SBendtrans-121.4141.6-17665.60000113.2I93 Q97 E98 F99I93-T95 VanDerWaalsContact CG2-O 3.28Å; I93-T95 WeakPolarHBondContact CG2-O 2.91Å; T95-Q97 PolarHBondContact O-N 3.4Å; T95-Q97 VanDerWaalsContact O-N 3.16Å; T95-E98 PolarHBondContact N-OE2 2.97Å; T95-E98 PolarHBondContact O-N 3.02Å; T95-E98 WeakPolarHBondContact OG1-CB 3.02Å; T95-E98 WeakPolarHBondContact OG1-CG 3.15Å; T95-E98 PolarHBondContact OG1-N 3.42Å; T95-E98 PolarHBondContact OG1-OE2 3.25Å; T95-F99 PolarHBondContact O-N 3.32Å
96P67.6Low60.7Low18 Ų1867 Ų6712%0.11737%0.366CS..Hα-helixtrans-54.1-32.4173.9-29.236.4000114.2F99 V100 N131 T135P96-F99 WeakPolarHBondContact O-CB 3.48Å; P96-F99 PolarHBondContact O-N 2.96Å; P96-V100 WeakPolarHBondContact O-CG2 3.42Å; P96-V100 PolarHBondContact O-N 3.2Å; P96-V100 VanDerWaalsContact O-N 3.17Å; P96-N131 HydrophobicContact CG-CB 4.05Å; P96-T135 HydrophobicContact CB-CG2 3.59Å; P96-T135 HydrophobicContact CG-CG2 3.88Å
97Q66Low62.4Low59 Ų5965.8 Ų65.828%0.27634%0.344SS..Hα-helixtrans-69.6-43.1-178.8-67.281.2-6.400112T95 F99 V100 V101T95-Q97 PolarHBondContact O-N 3.4Å; T95-Q97 VanDerWaalsContact O-N 3.16Å; Q97-F99 PolarHBondContact O-N 3.21Å; Q97-V100 PolarHBondContact O-N 2.97Å; Q97-V101 WeakPolarHBondContact O-CG2 3.24Å; Q97-V101 PolarHBondContact O-N 3.32Å; Q97-V101 VanDerWaalsContact O-N 3.13Å
98E71.8Confident64.4Low95 Ų9565.2 Ų65.244%0.44435%0.345SS..Hα-helixtrans-61.3-36.5174.2-76.4166.3159.600111.4I93 T94 T95 V101 Q102I93-E98 HydrophobicContact CG2-CB 3.27Å; I93-E98 HydrophobicContact CG2-CG 4.38Å; I93-E98 WeakPolarHBondContact CG2-OE2 2.99Å; T94-E98 PolarHBondContact N-OE2 3.38Å; T95-E98 PolarHBondContact N-OE2 2.97Å; T95-E98 PolarHBondContact O-N 3.02Å; T95-E98 WeakPolarHBondContact OG1-CB 3.02Å; T95-E98 WeakPolarHBondContact OG1-CG 3.15Å; T95-E98 PolarHBondContact OG1-N 3.42Å; T95-E98 PolarHBondContact OG1-OE2 3.25Å; E98-V101 PolarHBondContact O-N 3.45Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 2.85Å
99F75.5Confident65.5Low0 Ų064.9 Ų64.90%035%0.351CS..Hα-helixtrans-63.4-46.2177.2173.5-81000111.4I93 T95 P96 Q97 V101 Q102 W103 L120 L121 Q124 L129 L132 F141I93-F99 HydrophobicContact CD1-CB 3.96Å; I93-F99 HydrophobicContact CD1-CD2 4.14Å; I93-F99 HydrophobicContact CD1-CG 4.46Å; I93-F99 HydrophobicContact CG2-CB 4.21Å; T95-F99 PolarHBondContact O-N 3.32Å; P96-F99 WeakPolarHBondContact O-CB 3.48Å; P96-F99 PolarHBondContact O-N 2.96Å; Q97-F99 PolarHBondContact O-N 3.21Å; F99-V101 VanDerWaalsContact C-N 3.28Å; F99-V101 PolarHBondContact O-N 3.19Å; F99-Q102 PolarHBondContact O-N 2.95Å; F99-W103 HydrophobicContact CE1-CE3 4.36Å; F99-W103 HydrophobicContact CZ-CE3 4.04Å; F99-W103 WeakPolarHBondContact O-CB 3.4Å; F99-W103 PolarHBondContact O-N 3.37Å; F99-L120 HydrophobicContact CD2-CD2 3.35Å; F99-L120 HydrophobicContact CE2-CD2 3.05Å; F99-L120 HydrophobicContact CG-CD2 4.35Å; F99-L120 HydrophobicContact CZ-CD2 3.87Å; F99-L121 HydrophobicContact CE2-CD2 4.2Å; F99-L121 HydrophobicContact CZ-CD2 3.73Å; F99-Q124 HydrophobicContact CD2-CG 3.6Å; F99-Q124 HydrophobicContact CE2-CG 3.55Å; F99-L129 HydrophobicContact CE2-CD2 4.42Å; F99-L132 HydrophobicContact CB-CD1 4.39Å; F99-L132 HydrophobicContact CD1-CD1 3.19Å; F99-L132 HydrophobicContact CE1-CD1 3.44Å; F99-L132 VanDerWaalsContact CE1-CD1 3.44Å; F99-L132 HydrophobicContact CE1-CD2 4.37Å; F99-L132 HydrophobicContact CG-CD1 3.89Å; F99-L132 HydrophobicContact CZ-CD1 4.33Å; F99-F141 HydrophobicContact CD1-CE1 4.46Å; F99-F141 HydrophobicContact CD1-CZ 4.21Å; F99-F141 AromaticContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE1 3.47Å; F99-F141 VanDerWaalsContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE2 4.46Å; F99-F141 AromaticContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CZ-CE1 4.19Å; F99-F141 HydrophobicContact CZ-CZ 4.16Å
100V73.9Confident66.2Low12 Ų1263.5 Ų63.57%0.07334%0.344CS..Hα-helixtrans-62.4-37.7177.8172.70000111.4P96 Q97 R104 L137P96-V100 WeakPolarHBondContact O-CG2 3.42Å; P96-V100 PolarHBondContact O-N 3.2Å; P96-V100 VanDerWaalsContact O-N 3.17Å; Q97-V100 PolarHBondContact O-N 2.97Å; V100-R104 VanDerWaalsContact O-CB 3.24Å; V100-R104 WeakPolarHBondContact O-CB 3.47Å; V100-R104 PolarHBondContact O-N 3.33Å; V100-L137 HydrophobicContact CB-CD1 4.42Å; V100-L137 HydrophobicContact CG1-CD1 4.46Å; V100-L137 HydrophobicContact CG2-CD1 3.98Å
101V73.5Confident67Low88 Ų8865.2 Ų65.253%0.53337%0.37SS..Hα-helixtrans-63.8-48.2175173.20000111.1Q97 E98 F99 R104 H105Q97-V101 WeakPolarHBondContact O-CG2 3.24Å; Q97-V101 PolarHBondContact O-N 3.32Å; Q97-V101 VanDerWaalsContact O-N 3.13Å; E98-V101 PolarHBondContact O-N 3.45Å; F99-V101 VanDerWaalsContact C-N 3.28Å; F99-V101 PolarHBondContact O-N 3.19Å; V101-R104 PolarHBondContact O-N 3.13Å; V101-H105 WeakPolarHBondContact O-CB 3.11Å; V101-H105 PolarHBondContact O-N 3.32Å
102Q73.7Confident67.6Low41 Ų4162.7 Ų62.719%0.19236%0.364CS..Hα-helixtrans-65.8-44.5179.9-72-169.920.500112.6I93 E98 F99 R104 H105 I106 L120I93-Q102 HydrophobicContact CD1-CB 4.21Å; I93-Q102 HydrophobicContact CD1-CG 4.11Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 2.85Å; F99-Q102 PolarHBondContact O-N 2.95Å; Q102-R104 VanDerWaalsContact C-N 3.27Å; Q102-R104 PolarHBondContact O-N 3.23Å; Q102-H105 WeakPolarHBondContact O-CB 3.38Å; Q102-H105 PolarHBondContact O-N 3.17Å; Q102-I106 WeakPolarHBondContact O-CG1 3.37Å; Q102-I106 PolarHBondContact O-N 3.37Å; Q102-L120 HydrophobicContact CB-CD1 3.74Å
103W77.7Confident68.5Low4 Ų461.4 Ų61.42%0.01535%0.354CS..Hα-helixtrans-52.3-49.3176178.4-84.4000111.4F99 I106 K107 L117 L121 F141 E144 I145 V148F99-W103 HydrophobicContact CE1-CE3 4.36Å; F99-W103 HydrophobicContact CZ-CE3 4.04Å; F99-W103 WeakPolarHBondContact O-CB 3.4Å; F99-W103 PolarHBondContact O-N 3.37Å; W103-I106 PolarHBondContact O-N 2.95Å; W103-K107 PolarHBondContact O-N 3.31Å; W103-L117 HydrophobicContact CB-CD2 4.47Å; W103-L117 HydrophobicContact CD2-CD2 3.52Å; W103-L117 HydrophobicContact CD2-CG 4.44Å; W103-L117 HydrophobicContact CE3-CB 4.23Å; W103-L117 HydrophobicContact CE3-CD2 3.61Å; W103-L117 HydrophobicContact CE3-CG 4.38Å; W103-L117 HydrophobicContact CG-CD2 3.9Å; W103-L117 HydrophobicContact CH2-CB 3.9Å; W103-L117 HydrophobicContact CH2-CD1 4.21Å; W103-L117 HydrophobicContact CH2-CD2 4.39Å; W103-L117 HydrophobicContact CH2-CG 4.37Å; W103-L117 HydrophobicContact CZ2-CB 4.45Å; W103-L117 HydrophobicContact CZ2-CD1 3.93Å; W103-L117 HydrophobicContact CZ2-CD2 4.36Å; W103-L117 HydrophobicContact CZ2-CG 4.46Å; W103-L117 HydrophobicContact CZ3-CB 3.75Å; W103-L117 HydrophobicContact CZ3-CD2 4.02Å; W103-L117 HydrophobicContact CZ3-CG 4.31Å; W103-L117 WeakPolarHBondContact O-CD2 3.46Å; W103-L121 HydrophobicContact CH2-CD1 3.96Å; W103-L121 HydrophobicContact CH2-CG 4.48Å; W103-L121 HydrophobicContact CZ3-CD1 3.69Å; W103-L121 HydrophobicContact CZ3-CD2 4.12Å; W103-L121 HydrophobicContact CZ3-CG 3.73Å; W103-F141 HydrophobicContact CB-CE2 3.94Å; W103-F141 HydrophobicContact CB-CZ 3.94Å; W103-F141 AromaticContact CD1-CE2 3.23Å; W103-F141 AromaticContact CD1-CZ 3.72Å; W103-F141 HydrophobicContact CD2-CE1 4.32Å; W103-F141 AromaticContact CD2-CE2 3.64Å; W103-F141 HydrophobicContact CD2-CE2 3.64Å; W103-F141 AromaticContact CD2-CZ 3.22Å; W103-F141 HydrophobicContact CD2-CZ 3.22Å; W103-F141 AromaticContact CE2-CE2 3.7Å; W103-F141 AromaticContact CE2-CZ 3.51Å; W103-F141 AromaticContact CE3-CZ 3.7Å; W103-F141 HydrophobicContact CE3-CZ 3.7Å; W103-F141 AromaticContact CG-CE2 3.33Å; W103-F141 HydrophobicContact CG-CE2 3.33Å; W103-F141 AromaticContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CZ2-CZ 4.17Å; W103-F141 HydrophobicContact CZ3-CZ 4.36Å; W103-F141 AromaticContact NE1-CE2 3.4Å; W103-F141 AromaticContact NE1-CZ 3.74Å; W103-E144 HydrophobicContact CZ2-CB 4.26Å; W103-E144 PolarHBondContact NE1-OE2 3.22Å; W103-E144 VanDerWaalsContact NE1-OE2 3.15Å; W103-I145 HydrophobicContact CH2-CG1 4.28Å; W103-I145 HydrophobicContact CZ2-CG1 4.47Å; W103-V148 HydrophobicContact CH2-CB 4.1Å; W103-V148 HydrophobicContact CH2-CG1 4.27Å; W103-V148 HydrophobicContact CH2-CG2 3.82Å; W103-V148 HydrophobicContact CZ2-CG2 3.85Å
104R72.9Confident69Low80 Ų8063 Ų6330%0.30236%0.363SS..Hα-helixtrans-71.5-34-177-166.7175.6-119-175.819.8112.5L72 V100 V101 Q102 K107 S108L72-R104 HydrophobicContact CD2-CG 3.79Å; L72-R104 HydrophobicContact CG-CG 4.46Å; V100-R104 VanDerWaalsContact O-CB 3.24Å; V100-R104 WeakPolarHBondContact O-CB 3.47Å; V100-R104 PolarHBondContact O-N 3.33Å; V101-R104 PolarHBondContact O-N 3.13Å; Q102-R104 VanDerWaalsContact C-N 3.27Å; Q102-R104 PolarHBondContact O-N 3.23Å; R104-K107 PolarHBondContact O-N 3.25Å; R104-S108 PolarHBondContact O-N 2.91Å; R104-S108 PolarHBondContact O-OG 3.46Å
105H71.3Confident69.5Low99 Ų9959.1 Ų59.146%0.45835%0.347SS..Hα-helixtrans-61.9-46.7171.1-179.6-89.1000111.3V101 Q102 K107 S108 S109V101-H105 WeakPolarHBondContact O-CB 3.11Å; V101-H105 PolarHBondContact O-N 3.32Å; Q102-H105 WeakPolarHBondContact O-CB 3.38Å; Q102-H105 PolarHBondContact O-N 3.17Å; H105-K107 VanDerWaalsContact C-N 3.3Å; H105-K107 PolarHBondContact O-N 3.4Å; H105-S108 PolarHBondContact O-N 3.34Å; H105-S109 WeakPolarHBondContact O-CB 3.28Å; H105-S109 PolarHBondContact O-N 3.25Å
106I72.5Confident69.7Low30 Ų3059 Ų5915%0.15435%0.349CS..Hα-helixtrans-60.5-42.5176.2-67.6173.5000110.8Q102 W103 S108 S109 S110 A116 L117 L120Q102-I106 WeakPolarHBondContact O-CG1 3.37Å; Q102-I106 PolarHBondContact O-N 3.37Å; W103-I106 PolarHBondContact O-N 2.95Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 2.66Å; I106-S109 PolarHBondContact O-N 2.83Å; I106-S110 PolarHBondContact O-N 2.82Å; I106-A116 HydrophobicContact CD1-CB 4.48Å; I106-A116 HydrophobicContact CG2-CB 3.63Å; I106-L117 HydrophobicContact CB-CD2 3.76Å; I106-L117 HydrophobicContact CD1-CD2 4.46Å; I106-L117 HydrophobicContact CG2-CD2 3.6Å; I106-L117 HydrophobicContact CG2-CG 3.84Å; I106-L120 HydrophobicContact CD1-CB 4.24Å; I106-L120 HydrophobicContact CD1-CD1 3.45Å; I106-L120 VanDerWaalsContact CD1-CD1 3.45Å; I106-L120 HydrophobicContact CD1-CG 4.46Å
107K74.2Confident70.2Confident98 Ų9858.3 Ų58.343%0.42634%0.344SS..Hα-helixtrans-59.9-38.4176.7-170.1178.1-176.5174.40112.9W103 R104 H105 E144W103-K107 PolarHBondContact O-N 3.31Å; R104-K107 PolarHBondContact O-N 3.25Å; H105-K107 VanDerWaalsContact C-N 3.3Å; H105-K107 PolarHBondContact O-N 3.4Å; K107-E144 IonicContact NZ-OE1 3.66Å; K107-E144 PolarHBondContact NZ-OE1 3.37Å; K107-E144 IonicContact NZ-OE2 3.56Å; K107-E144 PolarHBondContact NZ-OE2 3.16Å
108S73.2Confident70.3Confident102 Ų10256.8 Ų56.871%0.71334%0.338SS*.Hα-helixtrans-79.8-25.3177.8-63.40000113.9R104 H105 I106R104-S108 PolarHBondContact O-N 2.91Å; R104-S108 PolarHBondContact O-OG 3.46Å; H105-S108 PolarHBondContact O-N 3.34Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 2.66Å
109S69.3Low70.5Confident89 Ų8957.6 Ų57.662%0.62234%0.342SS*.Hα-helixtrans-90.9-26.4-165.7-168.60000114.6H105 I106H105-S109 WeakPolarHBondContact O-CB 3.28Å; H105-S109 PolarHBondContact O-N 3.25Å; I106-S109 PolarHBondContact O-N 2.83Å
110S55.5Low70.4Confident59 Ų5957.7 Ų57.741%0.41334%0.342SS..  trans-131.9148.3-166.8-177.90000114.4I106 N112 T113I106-S110 PolarHBondContact O-N 2.82Å; S110-N112 VanDerWaalsContact C-N 3.33Å; S110-N112 PolarHBondContact OG-N 3.28Å; S110-N112 VanDerWaalsContact OG-N 3.11Å; S110-T113 WeakPolarHBondContact O-CG2 3.46Å
111A57.3Low70.5Confident114 Ų11457.2 Ų57.294%0.94234%0.339SS*.SBendtrans-76.6-17.7169.800000113.3
112N60.3Low70.5Confident110 Ų11055.2 Ų55.259%0.58832%0.323SS*.  trans-11160.2173-168.7-4.2000109.7S110 N114S110-N112 VanDerWaalsContact C-N 3.33Å; S110-N112 PolarHBondContact OG-N 3.28Å; S110-N112 VanDerWaalsContact OG-N 3.11Å; N112-N114 VanDerWaalsContact C-N 3.3Å; N112-N114 PolarHBondContact O-N 3.15Å
113T67Low70.5Confident32 Ų3256.4 Ų56.420%0.19633%0.331CS..Hα-helixtrans-57.6-44-178.551.80000111.3S110 G115 A116 L117S110-T113 WeakPolarHBondContact O-CG2 3.46Å; T113-G115 PolarHBondContact O-N 3.45Å; T113-A116 PolarHBondContact O-N 3.38Å; T113-L117 WeakPolarHBondContact O-CB 3.35Å; T113-L117 WeakPolarHBondContact O-CG 3.41Å; T113-L117 PolarHBondContact O-N 3.15Å
114N68.6Low70.2Confident40 Ų4057 Ų5721%0.21433%0.334CS..Hα-helixtrans-66.5-37.5-164.7-61.3-16.8000113N112 L118 H151N112-N114 VanDerWaalsContact C-N 3.3Å; N112-N114 PolarHBondContact O-N 3.15Å; N114-L118 WeakPolarHBondContact O-CB 3.35Å; N114-L118 PolarHBondContact O-N 3.19Å; N114-H151 WeakPolarHBondContact CB-ND1 3.39Å; N114-H151 PolarHBondContact ND2-CE1 3.21Å; N114-H151 VanDerWaalsContact ND2-CE1 3.27Å; N114-H151 VanDerWaalsContact ND2-CG 3.32Å; N114-H151 PolarHBondContact ND2-ND1 3.07Å; N114-H151 VanDerWaalsContact ND2-ND1 3.12Å
115G70.2Confident70.2Confident38 Ų3857.5 Ų57.539%0.39234%0.343SS..Hα-helixtrans-65.6-47.4177.900000113T113 L118 E119T113-G115 PolarHBondContact O-N 3.45Å; G115-L118 WeakPolarHBondContact O-CB 3.12Å; G115-L118 PolarHBondContact O-N 2.9Å; G115-E119 PolarHBondContact O-N 2.98Å
116A72.2Confident70.1Confident31 Ų3155.6 Ų55.626%0.25634%0.336SS..Hα-helixtrans-68.9-34178.900000112.4I106 T113 E119 L120I106-A116 HydrophobicContact CD1-CB 4.48Å; I106-A116 HydrophobicContact CG2-CB 3.63Å; T113-A116 PolarHBondContact O-N 3.38Å; A116-E119 PolarHBondContact O-N 3.42Å; A116-L120 WeakPolarHBondContact O-CB 3.22Å; A116-L120 PolarHBondContact O-N 3.11Å
117L76.9Confident70.1Confident4 Ų461.2 Ų61.22%0.02136%0.361CS..Hα-helixtrans-65.9-39.7173.5-67.8176.3000111.7W103 I106 T113 L120 L121 V148W103-L117 HydrophobicContact CB-CD2 4.47Å; W103-L117 HydrophobicContact CD2-CD2 3.52Å; W103-L117 HydrophobicContact CD2-CG 4.44Å; W103-L117 HydrophobicContact CE3-CB 4.23Å; W103-L117 HydrophobicContact CE3-CD2 3.61Å; W103-L117 HydrophobicContact CE3-CG 4.38Å; W103-L117 HydrophobicContact CG-CD2 3.9Å; W103-L117 HydrophobicContact CH2-CB 3.9Å; W103-L117 HydrophobicContact CH2-CD1 4.21Å; W103-L117 HydrophobicContact CH2-CD2 4.39Å; W103-L117 HydrophobicContact CH2-CG 4.37Å; W103-L117 HydrophobicContact CZ2-CB 4.45Å; W103-L117 HydrophobicContact CZ2-CD1 3.93Å; W103-L117 HydrophobicContact CZ2-CD2 4.36Å; W103-L117 HydrophobicContact CZ2-CG 4.46Å; W103-L117 HydrophobicContact CZ3-CB 3.75Å; W103-L117 HydrophobicContact CZ3-CD2 4.02Å; W103-L117 HydrophobicContact CZ3-CG 4.31Å; W103-L117 WeakPolarHBondContact O-CD2 3.46Å; I106-L117 HydrophobicContact CB-CD2 3.76Å; I106-L117 HydrophobicContact CD1-CD2 4.46Å; I106-L117 HydrophobicContact CG2-CD2 3.6Å; I106-L117 HydrophobicContact CG2-CG 3.84Å; T113-L117 WeakPolarHBondContact O-CB 3.35Å; T113-L117 WeakPolarHBondContact O-CG 3.41Å; T113-L117 PolarHBondContact O-N 3.15Å; L117-L120 PolarHBondContact O-N 2.97Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 3.43Å; L117-V148 HydrophobicContact CB-CG1 4.04Å; L117-V148 HydrophobicContact CB-CG2 4.35Å; L117-V148 HydrophobicContact CD1-CG2 3.81Å
118L69.9Low69.8Low27 Ų2757.1 Ų57.114%0.14134%0.344CS..Hα-helixtrans-65.2-44.2174.8-169.480.2000111.7N114 G115 L120 L121 F122 L149 A152N114-L118 WeakPolarHBondContact O-CB 3.35Å; N114-L118 PolarHBondContact O-N 3.19Å; G115-L118 WeakPolarHBondContact O-CB 3.12Å; G115-L118 PolarHBondContact O-N 2.9Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.81Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-F122 HydrophobicContact CD1-CE1 4.02Å; L118-F122 HydrophobicContact CD1-CE2 4.13Å; L118-F122 HydrophobicContact CD1-CZ 3.7Å; L118-F122 HydrophobicContact CD2-CD2 4.23Å; L118-F122 HydrophobicContact CD2-CE2 3.5Å; L118-F122 HydrophobicContact CD2-CZ 3.87Å; L118-F122 HydrophobicContact CG-CD2 4Å; L118-F122 HydrophobicContact CG-CE1 4.22Å; L118-F122 HydrophobicContact CG-CE2 3.56Å; L118-F122 HydrophobicContact CG-CZ 3.69Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 VanDerWaalsContact O-CG 3.31Å; L118-F122 WeakPolarHBondContact O-CG 3.38Å; L118-F122 PolarHBondContact O-N 3.32Å; L118-L149 HydrophobicContact CD1-CD2 4.29Å; L118-A152 HydrophobicContact CD1-CB 3.56Å; L118-A152 HydrophobicContact CD2-CB 3.85Å; L118-A152 HydrophobicContact CG-CB 4.29Å
119E74Confident69.7Low112 Ų11252.3 Ų52.352%0.52331%0.311SS..Hα-helixtrans-62.7-40.7176.4-171.1-179.2-173.500111.2M90 G115 A116 L121 F122 N123M90-E119 HydrophobicContact CE-CB 3.9Å; M90-E119 HydrophobicContact CE-CG 3.6Å; M90-E119 VanDerWaalsContact SD-CD 3.59Å; M90-E119 HydrophobicContact SD-CG 4.08Å; G115-E119 PolarHBondContact O-N 2.98Å; A116-E119 PolarHBondContact O-N 3.42Å; E119-L121 PolarHBondContact O-N 3.47Å; E119-F122 PolarHBondContact O-N 3.12Å; E119-N123 WeakPolarHBondContact O-CB 3.4Å; E119-N123 PolarHBondContact O-N 3.34Å
120L74.2Confident69.9Low2 Ų251.2 Ų51.21%0.0130%0.296CS..Hα-helixtrans-59.3-47.7173.7-168.8156.9000110.6M90 I93 F99 Q102 I106 A116 L117 L118 F122 N123 Q124M90-L120 HydrophobicContact CE-CB 4.34Å; I93-L120 HydrophobicContact CD1-CD2 4.44Å; F99-L120 HydrophobicContact CD2-CD2 3.35Å; F99-L120 HydrophobicContact CE2-CD2 3.05Å; F99-L120 HydrophobicContact CG-CD2 4.35Å; F99-L120 HydrophobicContact CZ-CD2 3.87Å; Q102-L120 HydrophobicContact CB-CD1 3.74Å; I106-L120 HydrophobicContact CD1-CB 4.24Å; I106-L120 HydrophobicContact CD1-CD1 3.45Å; I106-L120 VanDerWaalsContact CD1-CD1 3.45Å; I106-L120 HydrophobicContact CD1-CG 4.46Å; A116-L120 WeakPolarHBondContact O-CB 3.22Å; A116-L120 PolarHBondContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 2.97Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.81Å; L120-F122 PolarHBondContact O-N 3.4Å; L120-N123 PolarHBondContact O-N 3.45Å; L120-Q124 HydrophobicContact CD2-CG 4.21Å; L120-Q124 VanDerWaalsContact O-CG 3.24Å; L120-Q124 WeakPolarHBondContact O-CG 3.42Å; L120-Q124 PolarHBondContact O-N 3.45Å; L120-Q124 PolarHBondContact O-NE2 3.19Å
121L76.3Confident70.8Confident1 Ų151.9 Ų51.91%0.00530%0.295CS..Hα-helixtrans-58.7-44.8175.7-76.1166.4000112.4F99 W103 L117 L118 E119 N123 Q124 L129 I145 L149 I177F99-L121 HydrophobicContact CE2-CD2 4.2Å; F99-L121 HydrophobicContact CZ-CD2 3.73Å; W103-L121 HydrophobicContact CH2-CD1 3.96Å; W103-L121 HydrophobicContact CH2-CG 4.48Å; W103-L121 HydrophobicContact CZ3-CD1 3.69Å; W103-L121 HydrophobicContact CZ3-CD2 4.12Å; W103-L121 HydrophobicContact CZ3-CG 3.73Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 3.43Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 2.93Å; E119-L121 PolarHBondContact O-N 3.47Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.11Å; L121-Q124 PolarHBondContact O-N 2.86Å; L121-L129 HydrophobicContact CD2-CD2 4.06Å; L121-I145 HydrophobicContact CD1-CG2 4.17Å; L121-L149 HydrophobicContact CD1-CD2 4.44Å; L121-I177 HydrophobicContact CB-CD1 4.11Å
122F72.6Confident71.5Confident46 Ų4646.6 Ų46.620%0.20225%0.251CS..Hα-helixtrans-70.6-20.9-178.2-72.5-11.8000114.4L118 E119 L120 V170 K173 V174 I177L118-F122 HydrophobicContact CD1-CE1 4.02Å; L118-F122 HydrophobicContact CD1-CE2 4.13Å; L118-F122 HydrophobicContact CD1-CZ 3.7Å; L118-F122 HydrophobicContact CD2-CD2 4.23Å; L118-F122 HydrophobicContact CD2-CE2 3.5Å; L118-F122 HydrophobicContact CD2-CZ 3.87Å; L118-F122 HydrophobicContact CG-CD2 4Å; L118-F122 HydrophobicContact CG-CE1 4.22Å; L118-F122 HydrophobicContact CG-CE2 3.56Å; L118-F122 HydrophobicContact CG-CZ 3.69Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 VanDerWaalsContact O-CG 3.31Å; L118-F122 WeakPolarHBondContact O-CG 3.38Å; L118-F122 PolarHBondContact O-N 3.32Å; E119-F122 PolarHBondContact O-N 3.12Å; L120-F122 PolarHBondContact O-N 3.4Å; F122-V170 HydrophobicContact CE2-CG2 4.29Å; F122-V170 HydrophobicContact CZ-CG1 4.12Å; F122-K173 HydrophobicContact CB-CD 4.14Å; F122-K173 HydrophobicContact CD1-CB 3.81Å; F122-K173 HydrophobicContact CD1-CD 3.75Å; F122-K173 HydrophobicContact CD1-CG 4.42Å; F122-K173 HydrophobicContact CD2-CD 4.02Å; F122-K173 HydrophobicContact CE1-CB 3.5Å; F122-K173 VanDerWaalsContact CE1-CB 3.5Å; F122-K173 HydrophobicContact CE1-CD 4.08Å; F122-K173 HydrophobicContact CE1-CG 4.46Å; F122-K173 HydrophobicContact CE2-CD 4.31Å; F122-K173 HydrophobicContact CG-CD 3.72Å; F122-K173 HydrophobicContact CZ-CB 4.04Å; F122-K173 HydrophobicContact CZ-CD 4.34Å; F122-V174 HydrophobicContact CE1-CG2 4.18Å; F122-V174 HydrophobicContact CZ-CG2 4.26Å; F122-I177 HydrophobicContact CD1-CD1 3.8Å; F122-I177 HydrophobicContact CE1-CD1 3.94Å
123N75.6Confident71.9Confident67 Ų6741.3 Ų41.336%0.35822%0.223SC..THydrogen-bonded Turntrans-92-4.2177.4-166.661.5000113.1M90 E119 L120 L121M90-N123 PolarHBondContact O-ND2 3.16Å; E119-N123 WeakPolarHBondContact O-CB 3.4Å; E119-N123 PolarHBondContact O-N 3.34Å; L120-N123 PolarHBondContact O-N 3.45Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.11Å
124Q71.3Confident72Confident16 Ų1642.2 Ų42.28%0.07523%0.226CC..SBendtrans-83.8152.2178-62.5-36.2-6200112.9I93 F99 L120 L121 L129I93-Q124 VanDerWaalsContact CB-OE1 3.3Å; F99-Q124 HydrophobicContact CD2-CG 3.6Å; F99-Q124 HydrophobicContact CE2-CG 3.55Å; L120-Q124 HydrophobicContact CD2-CG 4.21Å; L120-Q124 VanDerWaalsContact O-CG 3.24Å; L120-Q124 WeakPolarHBondContact O-CG 3.42Å; L120-Q124 PolarHBondContact O-N 3.45Å; L120-Q124 PolarHBondContact O-NE2 3.19Å; L121-Q124 PolarHBondContact O-N 2.86Å; Q124-L129 HydrophobicContact CB-CD1 4.48Å; Q124-L129 HydrophobicContact CB-CD2 4.3Å; Q124-L129 HydrophobicContact CB-CG 4.21Å
125N71.6Confident71.9Confident90 Ų9042.6 Ų42.648%0.48123%0.23SC..  trans-73.9140.9169.1-65.3-24.2000110.3E127 V128 L129N125-E127 PolarHBondContact O-N 3.34Å; N125-E127 VanDerWaalsContact O-N 3.14Å; N125-V128 HydrophobicContact CB-CG2 4.35Å; N125-V128 PolarHBondContact O-N 2.89Å; N125-L129 PolarHBondContact O-N 3.2Å
126N69.6Low71.7Confident59 Ų5943 Ų4332%0.31623%0.234SC..Hα-helixtrans-56-31.6178.2-65.2-45.9000113.3V128 L129 E130 M176 S180N126-V128 PolarHBondContact O-N 3.34Å; N126-L129 PolarHBondContact O-N 2.89Å; N126-E130 PolarHBondContact O-N 3.48Å; N126-M176 WeakPolarHBondContact ND2-CE 3.49Å; N126-S180 WeakPolarHBondContact CB-OG 3.37Å; N126-S180 PolarHBondContact OD1-OG 3.2Å
127E72.9Confident71.2Confident148 Ų14843.3 Ų43.369%0.69223%0.231SC*.Hα-helixtrans-66-34.6177.1-63.9-177.7177.400113.2N125 N131N125-E127 PolarHBondContact O-N 3.34Å; N125-E127 VanDerWaalsContact O-N 3.14Å; E127-N131 WeakPolarHBondContact O-CB 3.41Å; E127-N131 PolarHBondContact O-N 3.11Å; E127-N131 PolarHBondContact O-ND2 3.33Å
128V68.5Low70.6Confident12 Ų1243.2 Ų43.27%0.07323%0.232CC..Hα-helixtrans-71.8-38.5177.4178.80000109.7N125 N126 N131 L132N125-V128 HydrophobicContact CB-CG2 4.35Å; N125-V128 PolarHBondContact O-N 2.89Å; N126-V128 PolarHBondContact O-N 3.34Å; V128-N131 CarbonylContact O-C 3.41Å; V128-N131 PolarHBondContact O-N 3.44Å; V128-L132 PolarHBondContact O-N 2.82Å
129L70.8Confident70.4Confident1 Ų144.5 Ų44.51%0.00524%0.241CC..Hα-helixtrans-65.5-41.2175.8-66.5175.2000111.9F99 L121 Q124 N125 N126 L132 I177 F181F99-L129 HydrophobicContact CE2-CD2 4.42Å; L121-L129 HydrophobicContact CD2-CD2 4.06Å; Q124-L129 HydrophobicContact CB-CD1 4.48Å; Q124-L129 HydrophobicContact CB-CD2 4.3Å; Q124-L129 HydrophobicContact CB-CG 4.21Å; N125-L129 PolarHBondContact O-N 3.2Å; N126-L129 PolarHBondContact O-N 2.89Å; L129-L132 VanDerWaalsContact O-CB 3.26Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.27Å; L129-I177 HydrophobicContact CD1-CB 4.43Å; L129-I177 HydrophobicContact CD1-CG1 3.82Å; L129-I177 HydrophobicContact CD1-CG2 4.26Å; L129-F181 HydrophobicContact CB-CD1 4.06Å; L129-F181 HydrophobicContact CB-CE1 3.66Å; L129-F181 HydrophobicContact CD2-CE1 3.74Å; L129-F181 HydrophobicContact CD2-CZ 4.12Å; L129-F181 HydrophobicContact CG-CE1 4.2Å; L129-F181 WeakPolarHBondContact O-CD1 3.38Å
130E73.7Confident70.3Confident66 Ų6643.1 Ų43.131%0.30824%0.243SC..Hα-helixtrans-64.3-40.1173.8-176.2176.4159.900111.7N126 L132 K183 S184N126-E130 PolarHBondContact O-N 3.48Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.12Å; E130-K183 HydrophobicContact CG-CB 3.85Å; E130-S184 WeakPolarHBondContact O-CB 3.46Å; E130-S184 PolarHBondContact O-OG 3.37Å
131N73.4Confident70.3Confident74 Ų7443.5 Ų43.540%0.39625%0.245SC..Hα-helixtrans-80.6-6.7178.5-73.3-46.4000114.4P96 E127 V128 F133 N134P96-N131 HydrophobicContact CG-CB 4.05Å; E127-N131 WeakPolarHBondContact O-CB 3.41Å; E127-N131 PolarHBondContact O-N 3.11Å; E127-N131 PolarHBondContact O-ND2 3.33Å; V128-N131 CarbonylContact O-C 3.41Å; V128-N131 PolarHBondContact O-N 3.44Å; N131-F133 PolarHBondContact O-N 3.33Å; N131-N134 WeakPolarHBondContact O-CB 3.46Å; N131-N134 PolarHBondContact O-N 3.19Å; N131-N134 PolarHBondContact OD1-ND2 3.5Å
132L72.7Confident70.5Confident2 Ų243.5 Ų43.51%0.0125%0.245CC..Hα-helixtrans-58.4-50.8-177.3-165.298.4000111.5F99 V128 L129 E130 N134 T135 F141 I145F99-L132 HydrophobicContact CB-CD1 4.39Å; F99-L132 HydrophobicContact CD1-CD1 3.19Å; F99-L132 HydrophobicContact CE1-CD1 3.44Å; F99-L132 VanDerWaalsContact CE1-CD1 3.44Å; F99-L132 HydrophobicContact CE1-CD2 4.37Å; F99-L132 HydrophobicContact CG-CD1 3.89Å; F99-L132 HydrophobicContact CZ-CD1 4.33Å; V128-L132 PolarHBondContact O-N 2.82Å; L129-L132 VanDerWaalsContact O-CB 3.26Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.27Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.12Å; L132-N134 VanDerWaalsContact C-N 3.31Å; L132-N134 PolarHBondContact O-N 3.03Å; L132-T135 PolarHBondContact O-N 3.27Å; L132-T135 PolarHBondContact O-OG1 2.97Å; L132-F141 HydrophobicContact CD2-CD1 3.46Å; L132-F141 VanDerWaalsContact CD2-CD1 3.46Å; L132-F141 HydrophobicContact CD2-CE1 3.72Å; L132-F141 HydrophobicContact CD2-CG 4.45Å; L132-I145 HydrophobicContact CD2-CD1 4.2Å
133F68.3Low71Confident0 Ų042.4 Ų42.40%024%0.242CC..G310 helixtrans-73.7-23-179.1-56.5-89.4000112.2N131 T135 G136 G138 L142 I145 F181 S184 Q186 A190N131-F133 PolarHBondContact O-N 3.33Å; F133-T135 PolarHBondContact O-N 3.16Å; F133-T135 VanDerWaalsContact O-N 3.07Å; F133-G136 PolarHBondContact O-N 2.92Å; F133-G138 WeakPolarHBondContact CE1-O 3.08Å; F133-L142 HydrophobicContact CE1-CB 3.87Å; F133-L142 HydrophobicContact CE1-CD1 3.85Å; F133-L142 HydrophobicContact CE1-CG 4.34Å; F133-L142 HydrophobicContact CZ-CB 4.47Å; F133-L142 HydrophobicContact CZ-CD1 3.69Å; F133-I145 HydrophobicContact CZ-CD1 3.96Å; F133-F181 HydrophobicContact CD2-CD1 4.27Å; F133-F181 HydrophobicContact CE2-CB 3.93Å; F133-F181 AromaticContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD1 3.44Å; F133-F181 VanDerWaalsContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD2 4.1Å; F133-F181 AromaticContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE2 4.44Å; F133-F181 AromaticContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CZ 4.27Å; F133-F181 HydrophobicContact CZ-CD1 4.34Å; F133-F181 HydrophobicContact CZ-CD2 4.31Å; F133-F181 HydrophobicContact CZ-CE1 4.42Å; F133-F181 HydrophobicContact CZ-CE2 4.47Å; F133-F181 HydrophobicContact CZ-CG 4.23Å; F133-S184 WeakPolarHBondContact CB-OG 3.41Å; F133-Q186 HydrophobicContact CB-CB 4.08Å; F133-Q186 WeakPolarHBondContact O-CB 3.26Å; F133-Q186 PolarHBondContact O-OE1 3.35Å; F133-A190 HydrophobicContact CD1-CB 3.81Å; F133-A190 HydrophobicContact CE1-CB 4.29Å
134N68.7Low71.3Confident51 Ų5142.2 Ų42.227%0.27324%0.239SC..G310 helixtrans-63.9-15.3177.7-69.9-26.8000113.4N131 L132 G136 S184 K185 Q186N131-N134 WeakPolarHBondContact O-CB 3.46Å; N131-N134 PolarHBondContact O-N 3.19Å; N131-N134 PolarHBondContact OD1-ND2 3.5Å; L132-N134 VanDerWaalsContact C-N 3.31Å; L132-N134 PolarHBondContact O-N 3.03Å; N134-G136 VanDerWaalsContact C-N 3.33Å; N134-S184 PolarHBondContact OD1-OG 2.99Å; N134-K185 PolarHBondContact OD1-N 3.1Å; N134-Q186 PolarHBondContact O-NE2 3.12Å
135T67Low71.8Confident47 Ų4741.5 Ų41.529%0.28824%0.236SC..G310 helixtrans-85.51.9178.763.80000114.6P96 L132 F133 L137P96-T135 HydrophobicContact CB-CG2 3.59Å; P96-T135 HydrophobicContact CG-CG2 3.88Å; L132-T135 PolarHBondContact O-N 3.27Å; L132-T135 PolarHBondContact O-OG1 2.97Å; F133-T135 PolarHBondContact O-N 3.16Å; F133-T135 VanDerWaalsContact O-N 3.07Å; T135-L137 PolarHBondContact O-N 3.07Å
136G64.9Low72.4Confident47 Ų4737.4 Ų37.449%0.48521%0.214SC..THydrogen-bonded Turntrans75.5-5.5-176.500000114.4F133 N134 G138F133-G136 PolarHBondContact O-N 2.92Å; N134-G136 VanDerWaalsContact C-N 3.33Å; G136-G138 VanDerWaalsContact C-N 3.26Å
137L62.9Low73Confident37 Ų3738.1 Ų38.119%0.19422%0.224CC..THydrogen-bonded Turntrans-81.6-7.9176.5-62.8172.8000113Y68 V100 T135 V139 S140 F141Y68-L137 HydrophobicContact CD2-CD2 4.5Å; Y68-L137 HydrophobicContact CE2-CD2 4.15Å; V100-L137 HydrophobicContact CB-CD1 4.42Å; V100-L137 HydrophobicContact CG1-CD1 4.46Å; V100-L137 HydrophobicContact CG2-CD1 3.98Å; T135-L137 PolarHBondContact O-N 3.07Å; L137-V139 PolarHBondContact O-N 3.22Å; L137-S140 PolarHBondContact O-OG 2.99Å; L137-F141 WeakPolarHBondContact O-CB 3.48Å
138G63.7Low73.4Confident3 Ų331.4 Ų31.43%0.03119%0.193CC..Hα-helixtrans-62.6-36.8-170.400000115.4F133 G136 F141 L142F133-G138 WeakPolarHBondContact CE1-O 3.08Å; G136-G138 VanDerWaalsContact C-N 3.26Å; G138-F141 PolarHBondContact O-N 2.63Å; G138-F141 VanDerWaalsContact O-N 3.15Å; G138-L142 PolarHBondContact O-N 3.43Å
139V65.6Low74Confident54 Ų5430.8 Ų30.833%0.32719%0.189SC..Hα-helixtrans-61.3-51-173.2171.60000112.3L137 F141 P143 C193L137-V139 PolarHBondContact O-N 3.22Å; V139-F141 PolarHBondContact O-N 3.29Å; V139-P143 WeakPolarHBondContact O-CD 3.47Å; V139-C193 HydrophobicContact CB-CB 4.25Å; V139-C193 HydrophobicContact CG1-CB 3.23Å; V139-C193 HydrophobicContact CG2-CB 4.1Å
140S71.1Confident74.5Confident82 Ų8232 Ų3257%0.57320%0.195SC*.Hα-helixtrans-72.8-14.6179.554.20000113.4L137L137-S140 PolarHBondContact O-OG 2.99Å
141F75Confident74.8Confident11 Ų1132.3 Ų32.35%0.04820%0.197CC..Hα-helixtrans-101.7-29.9-168.5-164.2-98.5000112.7F99 W103 L132 L137 G138 V139 E144 I145F99-F141 HydrophobicContact CD1-CE1 4.46Å; F99-F141 HydrophobicContact CD1-CZ 4.21Å; F99-F141 AromaticContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE1 3.47Å; F99-F141 VanDerWaalsContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE2 4.46Å; F99-F141 AromaticContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CZ-CE1 4.19Å; F99-F141 HydrophobicContact CZ-CZ 4.16Å; W103-F141 HydrophobicContact CB-CE2 3.94Å; W103-F141 HydrophobicContact CB-CZ 3.94Å; W103-F141 AromaticContact CD1-CE2 3.23Å; W103-F141 AromaticContact CD1-CZ 3.72Å; W103-F141 HydrophobicContact CD2-CE1 4.32Å; W103-F141 AromaticContact CD2-CE2 3.64Å; W103-F141 HydrophobicContact CD2-CE2 3.64Å; W103-F141 AromaticContact CD2-CZ 3.22Å; W103-F141 HydrophobicContact CD2-CZ 3.22Å; W103-F141 AromaticContact CE2-CE2 3.7Å; W103-F141 AromaticContact CE2-CZ 3.51Å; W103-F141 AromaticContact CE3-CZ 3.7Å; W103-F141 HydrophobicContact CE3-CZ 3.7Å; W103-F141 AromaticContact CG-CE2 3.33Å; W103-F141 HydrophobicContact CG-CE2 3.33Å; W103-F141 AromaticContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CZ2-CZ 4.17Å; W103-F141 HydrophobicContact CZ3-CZ 4.36Å; W103-F141 AromaticContact NE1-CE2 3.4Å; W103-F141 AromaticContact NE1-CZ 3.74Å; L132-F141 HydrophobicContact CD2-CD1 3.46Å; L132-F141 VanDerWaalsContact CD2-CD1 3.46Å; L132-F141 HydrophobicContact CD2-CE1 3.72Å; L132-F141 HydrophobicContact CD2-CG 4.45Å; L137-F141 WeakPolarHBondContact O-CB 3.48Å; G138-F141 PolarHBondContact O-N 2.63Å; G138-F141 VanDerWaalsContact O-N 3.15Å; V139-F141 PolarHBondContact O-N 3.29Å; F141-E144 PolarHBondContact O-N 3.04Å; F141-I145 HydrophobicContact CD1-CD1 3.23Å; F141-I145 HydrophobicContact CD1-CG1 3.5Å; F141-I145 HydrophobicContact CE1-CD1 3.32Å; F141-I145 HydrophobicContact CE1-CG1 3.25Å; F141-I145 HydrophobicContact CG-CD1 4.44Å; F141-I145 HydrophobicContact CZ-CG1 4.19Å; F141-I145 WeakPolarHBondContact O-CG1 3.43Å; F141-I145 PolarHBondContact O-N 2.97Å
142L81Confident74.9Confident1 Ų129.3 Ų29.31%0.00518%0.182CC..Hα-helixtrans-54.8-48.4178.5-170.661.3000113.3F133 G138 E144 I145 L146 F187 A190 V191 L194F133-L142 HydrophobicContact CE1-CB 3.87Å; F133-L142 HydrophobicContact CE1-CD1 3.85Å; F133-L142 HydrophobicContact CE1-CG 4.34Å; F133-L142 HydrophobicContact CZ-CB 4.47Å; F133-L142 HydrophobicContact CZ-CD1 3.69Å; G138-L142 PolarHBondContact O-N 3.43Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 3Å; L142-I145 PolarHBondContact O-N 3.48Å; L142-L146 HydrophobicContact CG-CD1 4.07Å; L142-L146 HydrophobicContact CG-CG 4.5Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.31Å; L142-F187 HydrophobicContact CD1-CE2 4.03Å; L142-F187 HydrophobicContact CD2-CE2 4.33Å; L142-A190 HydrophobicContact CD2-CB 3.89Å; L142-V191 HydrophobicContact CD2-CG2 4Å; L142-L194 HydrophobicContact CB-CD2 4.25Å; L142-L194 HydrophobicContact CD2-CD1 3.84Å; L142-L194 HydrophobicContact CD2-CD2 4.05Å; L142-L194 HydrophobicContact CD2-CG 4.11Å; L142-L194 HydrophobicContact CG-CD1 4.49Å; L142-L194 HydrophobicContact CG-CD2 4.22Å
143P81.9Confident74.9Confident23 Ų2329.3 Ų29.315%0.14918%0.182CC..Hα-helixtrans-61.8-37.4179.2-15.926.1000112.7V139 L146 S147 L194 E198V139-P143 WeakPolarHBondContact O-CD 3.47Å; P143-L146 PolarHBondContact O-N 2.93Å; P143-S147 WeakPolarHBondContact O-CB 3.24Å; P143-S147 PolarHBondContact O-N 3.34Å; P143-L194 HydrophobicContact CB-CD2 4.33Å; P143-L194 HydrophobicContact CG-CD2 3.56Å; P143-E198 VanDerWaalsContact CB-CD 3.48Å; P143-E198 HydrophobicContact CB-CG 4.08Å; P143-E198 VanDerWaalsContact CB-OE1 3.22Å; P143-E198 WeakPolarHBondContact CB-OE1 3.34Å; P143-E198 WeakPolarHBondContact CG-OE1 3.31Å
144E82Confident75.3Confident63 Ų6331.8 Ų31.829%0.29420%0.196SC..Hα-helixtrans-65-44.8179.1-60.3-164.9-173.900111W103 K107 F141 L142 L146 S147 V148W103-E144 HydrophobicContact CZ2-CB 4.26Å; W103-E144 PolarHBondContact NE1-OE2 3.22Å; W103-E144 VanDerWaalsContact NE1-OE2 3.15Å; K107-E144 IonicContact NZ-OE1 3.66Å; K107-E144 PolarHBondContact NZ-OE1 3.37Å; K107-E144 IonicContact NZ-OE2 3.56Å; K107-E144 PolarHBondContact NZ-OE2 3.16Å; F141-E144 PolarHBondContact O-N 3.04Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 3Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.98Å; E144-S147 PolarHBondContact O-N 3.3Å; E144-V148 WeakPolarHBondContact O-CG2 3.34Å; E144-V148 PolarHBondContact O-N 3.42Å
145I82.6Confident75.3Confident0 Ų032.5 Ų32.50%020%0.199CC..Hα-helixtrans-61.1-46.8175.4-60159.8000110W103 L121 L132 F133 F141 L142 S147 V148 L149 F181W103-I145 HydrophobicContact CH2-CG1 4.28Å; W103-I145 HydrophobicContact CZ2-CG1 4.47Å; L121-I145 HydrophobicContact CD1-CG2 4.17Å; L132-I145 HydrophobicContact CD2-CD1 4.2Å; F133-I145 HydrophobicContact CZ-CD1 3.96Å; F141-I145 HydrophobicContact CD1-CD1 3.23Å; F141-I145 HydrophobicContact CD1-CG1 3.5Å; F141-I145 HydrophobicContact CE1-CD1 3.32Å; F141-I145 HydrophobicContact CE1-CG1 3.25Å; F141-I145 HydrophobicContact CG-CD1 4.44Å; F141-I145 HydrophobicContact CZ-CG1 4.19Å; F141-I145 WeakPolarHBondContact O-CG1 3.43Å; F141-I145 PolarHBondContact O-N 2.97Å; L142-I145 PolarHBondContact O-N 3.48Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.46Å; I145-V148 PolarHBondContact O-N 2.87Å; I145-V148 VanDerWaalsContact O-N 3.16Å; I145-L149 HydrophobicContact CG2-CD1 3.71Å; I145-L149 HydrophobicContact CG2-CG 3.92Å; I145-L149 WeakPolarHBondContact O-CB 3.42Å; I145-L149 VanDerWaalsContact O-CG 3.24Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 3.27Å; I145-F181 HydrophobicContact CD1-CE2 3.77Å; I145-F181 HydrophobicContact CD1-CZ 3.65Å; I145-F181 HydrophobicContact CG2-CE2 3.77Å; I145-F181 HydrophobicContact CG2-CZ 4.21Å
146L83.5Confident75.1Confident4 Ų431.5 Ų31.52%0.02119%0.193CC..Hα-helixtrans-59.6-40.6-180-70.7170.8000111.9L142 P143 E144 L149 N150 L178 L194 A202 L205L142-L146 HydrophobicContact CG-CD1 4.07Å; L142-L146 HydrophobicContact CG-CG 4.5Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.31Å; P143-L146 PolarHBondContact O-N 2.93Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.98Å; L146-L149 PolarHBondContact O-N 3.29Å; L146-N150 WeakPolarHBondContact O-CB 3.47Å; L146-N150 PolarHBondContact O-N 3.32Å; L146-L178 HydrophobicContact CD2-CD2 4.33Å; L146-L194 HydrophobicContact CD1-CD1 4.25Å; L146-A202 HydrophobicContact CD1-CB 3.98Å; L146-A202 HydrophobicContact CD2-CB 4.29Å; L146-L205 HydrophobicContact CD2-CD2 4.14Å
147S83Confident74.8Confident75 Ų7532.7 Ų32.752%0.52419%0.189SC..Hα-helixtrans-62.8-44.9175.3-174.20000112P143 E144 I145 N150 H151P143-S147 WeakPolarHBondContact O-CB 3.24Å; P143-S147 PolarHBondContact O-N 3.34Å; E144-S147 PolarHBondContact O-N 3.3Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.46Å; S147-N150 PolarHBondContact O-N 2.87Å; S147-H151 WeakPolarHBondContact O-CB 3.48Å; S147-H151 PolarHBondContact O-N 3.02Å
148V81.4Confident74.4Confident6 Ų636 Ų364%0.03621%0.21CC..Hα-helixtrans-64.3-41.7176.7172.10000111.3W103 L117 E144 I145 H151 A152W103-V148 HydrophobicContact CH2-CB 4.1Å; W103-V148 HydrophobicContact CH2-CG1 4.27Å; W103-V148 HydrophobicContact CH2-CG2 3.82Å; W103-V148 HydrophobicContact CZ2-CG2 3.85Å; L117-V148 HydrophobicContact CB-CG1 4.04Å; L117-V148 HydrophobicContact CB-CG2 4.35Å; L117-V148 HydrophobicContact CD1-CG2 3.81Å; E144-V148 WeakPolarHBondContact O-CG2 3.34Å; E144-V148 PolarHBondContact O-N 3.42Å; I145-V148 PolarHBondContact O-N 2.87Å; I145-V148 VanDerWaalsContact O-N 3.16Å; V148-H151 PolarHBondContact O-N 2.93Å; V148-A152 WeakPolarHBondContact O-CB 3.39Å; V148-A152 PolarHBondContact O-N 3.47Å
149L81Confident73.9Confident0 Ų040.2 Ų40.20%023%0.231CC..Hα-helixtrans-65.2-45177-69.8178.7000111.7L118 L121 I145 L146 A152 V153 V174 L178 L205L118-L149 HydrophobicContact CD1-CD2 4.29Å; L121-L149 HydrophobicContact CD1-CD2 4.44Å; I145-L149 HydrophobicContact CG2-CD1 3.71Å; I145-L149 HydrophobicContact CG2-CG 3.92Å; I145-L149 WeakPolarHBondContact O-CB 3.42Å; I145-L149 VanDerWaalsContact O-CG 3.24Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 3.27Å; L146-L149 PolarHBondContact O-N 3.29Å; L149-A152 PolarHBondContact O-N 3.38Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.4Å; L149-V174 HydrophobicContact CB-CG1 4.49Å; L149-V174 HydrophobicContact CD1-CG1 4.2Å; L149-V174 HydrophobicContact CD2-CB 4.32Å; L149-V174 HydrophobicContact CD2-CG1 3.92Å; L149-V174 HydrophobicContact CD2-CG2 3.68Å; L149-V174 HydrophobicContact CG-CG1 4.44Å; L149-L178 HydrophobicContact CD1-CD2 4.08Å; L149-L178 HydrophobicContact CD1-CG 4.42Å; L149-L205 HydrophobicContact CB-CD2 3.77Å; L149-L205 HydrophobicContact CD1-CD2 4.36Å
150N80.4Confident73Confident25 Ų2543 Ų4313%0.13424%0.244CC..Hα-helixtrans-63.8-42.8176.6-172.774.4000111.2L146 S147 A152 V153 D154 H204L146-N150 WeakPolarHBondContact O-CB 3.47Å; L146-N150 PolarHBondContact O-N 3.32Å; S147-N150 PolarHBondContact O-N 2.87Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 3.34Å; N150-V153 PolarHBondContact O-N 3.34Å; N150-D154 PolarHBondContact ND2-OD2 3.14Å; N150-D154 WeakPolarHBondContact O-CB 3.34Å; N150-D154 PolarHBondContact O-N 3.47Å; N150-H204 PolarHBondContact OD1-ND1 3.27Å
151H80.5Confident72.2Confident73 Ų7345 Ų4534%0.33826%0.257SS..Hα-helixtrans-60.9-40.5173.5-174.2-98.6000111.8N114 S147 V148 D154 N155N114-H151 WeakPolarHBondContact CB-ND1 3.39Å; N114-H151 PolarHBondContact ND2-CE1 3.21Å; N114-H151 VanDerWaalsContact ND2-CE1 3.27Å; N114-H151 VanDerWaalsContact ND2-CG 3.32Å; N114-H151 PolarHBondContact ND2-ND1 3.07Å; N114-H151 VanDerWaalsContact ND2-ND1 3.12Å; S147-H151 WeakPolarHBondContact O-CB 3.48Å; S147-H151 PolarHBondContact O-N 3.02Å; V148-H151 PolarHBondContact O-N 2.93Å; H151-D154 PolarHBondContact O-N 3.49Å; H151-N155 PolarHBondContact CE1-ND2 2.95Å; H151-N155 PolarHBondContact ND1-ND2 2.9Å; H151-N155 PolarHBondContact NE2-ND2 3.41Å; H151-N155 VanDerWaalsContact NE2-ND2 3.19Å; H151-N155 WeakPolarHBondContact O-CB 3.49Å; H151-N155 PolarHBondContact O-N 2.99Å; H151-N155 PolarHBondContact O-ND2 2.98Å
152A75.3Confident71.1Confident11 Ų1149 Ų499%0.09129%0.287CS..Hα-helixtrans-64.3-43.4177.300000112.3L118 V148 L149 N150 T156L118-A152 HydrophobicContact CD1-CB 3.56Å; L118-A152 HydrophobicContact CD2-CB 3.85Å; L118-A152 HydrophobicContact CG-CB 4.29Å; V148-A152 WeakPolarHBondContact O-CB 3.39Å; V148-A152 PolarHBondContact O-N 3.47Å; L149-A152 PolarHBondContact O-N 3.38Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 3.34Å; A152-T156 WeakPolarHBondContact O-CB 3.38Å; A152-T156 PolarHBondContact O-N 3.44Å; A152-T156 PolarHBondContact O-OG1 3.44Å
153V74.2Confident69.9Low3 Ų351.7 Ų51.72%0.01831%0.306CS..Hα-helixtrans-65.1-42.8175.1175.60000110.8L149 N150 T156 D157 L205 K208 I212L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.4Å; N150-V153 PolarHBondContact O-N 3.34Å; V153-T156 WeakPolarHBondContact O-CB 3.31Å; V153-T156 PolarHBondContact O-N 2.9Å; V153-D157 PolarHBondContact O-N 2.95Å; V153-L205 HydrophobicContact CB-CD1 4.19Å; V153-L205 HydrophobicContact CG2-CD1 3.7Å; V153-K208 HydrophobicContact CG1-CB 4.25Å; V153-K208 HydrophobicContact CG1-CD 4.33Å; V153-I212 HydrophobicContact CG1-CD1 4.13Å
154D75.8Confident68.9Low52 Ų5256.1 Ų56.128%0.27833%0.328SS..Hα-helixtrans-62.8-46.7178.5-72-15.9000112.3N150 H151 T156 D157 T158 K208N150-D154 PolarHBondContact ND2-OD2 3.14Å; N150-D154 WeakPolarHBondContact O-CB 3.34Å; N150-D154 PolarHBondContact O-N 3.47Å; H151-D154 PolarHBondContact O-N 3.49Å; D154-T156 PolarHBondContact O-N 3.07Å; D154-D157 PolarHBondContact O-N 2.92Å; D154-T158 WeakPolarHBondContact O-CG2 3.35Å; D154-T158 PolarHBondContact O-N 3.12Å; D154-K208 IonicContact OD1-NZ 2.86Å; D154-K208 PolarHBondContact OD1-NZ 3.25Å
155N67.9Low67.9Low65 Ų6561.1 Ų61.135%0.34835%0.346SS..Hα-helixtrans-64-34.9175.7-74.6-70.6000111.6H151 D157 T158 I159H151-N155 PolarHBondContact CE1-ND2 2.95Å; H151-N155 PolarHBondContact ND1-ND2 2.9Å; H151-N155 PolarHBondContact NE2-ND2 3.41Å; H151-N155 VanDerWaalsContact NE2-ND2 3.19Å; H151-N155 WeakPolarHBondContact O-CB 3.49Å; H151-N155 PolarHBondContact O-N 2.99Å; H151-N155 PolarHBondContact O-ND2 2.98Å; N155-D157 VanDerWaalsContact C-N 3.32Å; N155-D157 PolarHBondContact O-N 3.21Å; N155-T158 PolarHBondContact O-N 2.67Å; N155-T158 PolarHBondContact O-OG1 2.98Å; N155-I159 WeakPolarHBondContact O-CD1 3.32Å; N155-I159 VanDerWaalsContact O-CG1 3.23Å; N155-I159 WeakPolarHBondContact O-CG1 3.5Å; N155-I159 PolarHBondContact O-N 3.29Å
156T62.9Low67.2Low26 Ų2665.9 Ų65.916%0.1637%0.371CS..Hα-helixtrans-65.8-38.6177.5-570000111.1A152 V153 D154 I159 L160 I167A152-T156 WeakPolarHBondContact O-CB 3.38Å; A152-T156 PolarHBondContact O-N 3.44Å; A152-T156 PolarHBondContact O-OG1 3.44Å; V153-T156 WeakPolarHBondContact O-CB 3.31Å; V153-T156 PolarHBondContact O-N 2.9Å; D154-T156 PolarHBondContact O-N 3.07Å; T156-I159 CarbonylContact O-C 3.54Å; T156-I159 WeakPolarHBondContact O-CA 3.37Å; T156-I159 PolarHBondContact O-N 2.89Å; T156-I159 VanDerWaalsContact O-N 3.12Å; T156-L160 PolarHBondContact O-N 2.9Å; T156-I167 HydrophobicContact CG2-CB 3.8Å; T156-I167 HydrophobicContact CG2-CD1 4.01Å; T156-I167 HydrophobicContact CG2-CG1 3.46Å; T156-I167 VanDerWaalsContact CG2-CG1 3.46Å; T156-I167 HydrophobicContact CG2-CG2 3.66Å
157D58.3Low66.4Low73 Ų7366.7 Ų66.739%0.3938%0.375SS..Hα-helixtrans-70.1-31.2175.2-147.218.8000112.2V153 D154 N155 I159 L160V153-D157 PolarHBondContact O-N 2.95Å; D154-D157 PolarHBondContact O-N 2.92Å; N155-D157 VanDerWaalsContact C-N 3.32Å; N155-D157 PolarHBondContact O-N 3.21Å; D157-I159 PolarHBondContact O-N 3.24Å; D157-L160 WeakPolarHBondContact O-CB 3.36Å; D157-L160 PolarHBondContact O-N 3.36Å
158T56.5Low65.8Low106 Ų10665.2 Ų65.265%0.6536%0.362SS*.Hα-helixtrans-67.1-25169.764.90000112.8D154 N155 L160D154-T158 WeakPolarHBondContact O-CG2 3.35Å; D154-T158 PolarHBondContact O-N 3.12Å; N155-T158 PolarHBondContact O-N 2.67Å; N155-T158 PolarHBondContact O-OG1 2.98Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 2.92Å
159I51.2Low65.4Low92 Ų9268.1 Ų68.147%0.47238%0.376SS..THydrogen-bonded Turntrans-93.819.9178.6-55.7161.8000111N155 T156 D157 S161 S162N155-I159 WeakPolarHBondContact O-CD1 3.32Å; N155-I159 VanDerWaalsContact O-CG1 3.23Å; N155-I159 WeakPolarHBondContact O-CG1 3.5Å; N155-I159 PolarHBondContact O-N 3.29Å; T156-I159 CarbonylContact O-C 3.54Å; T156-I159 WeakPolarHBondContact O-CA 3.37Å; T156-I159 PolarHBondContact O-N 2.89Å; T156-I159 VanDerWaalsContact O-N 3.12Å; D157-I159 PolarHBondContact O-N 3.24Å; I159-S161 PolarHBondContact O-N 2.91Å; I159-S162 WeakPolarHBondContact CG2-OG 3.42Å; I159-S162 PolarHBondContact O-N 3.4Å
160L47.4Very low65.2Low113 Ų11369.3 Ų69.359%0.59238%0.383SS*.THydrogen-bonded Turntrans-55.21.1170.3-166.368.8000114T156 D157 T158T156-L160 PolarHBondContact O-N 2.9Å; D157-L160 WeakPolarHBondContact O-CB 3.36Å; D157-L160 PolarHBondContact O-N 3.36Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 2.92Å
161S54.2Low64.9Low122 Ų12268.8 Ų68.885%0.85338%0.38SS*.THydrogen-bonded Turntrans-99.9-7.4177.1-61.50000116.2I159I159-S161 PolarHBondContact O-N 2.91Å
162S51.5Low64.7Low96 Ų9667.9 Ų67.967%0.67138%0.382SS*.THydrogen-bonded Turntrans-127.2-24.9-171.858.60000120.9I159I159-S162 WeakPolarHBondContact CG2-OG 3.42Å; I159-S162 PolarHBondContact O-N 3.4Å
163S56.6Low64.8Low57 Ų5771.4 Ų71.440%0.39940%0.395SS..  trans-174.6115171.8-170.50000113.8Y165S163-Y165 PolarHBondContact O-N 2.9Å
164D60.1Low65.1Low117 Ų11771.2 Ų71.263%0.62639%0.394SS*.Hα-helixtrans-60.9-25.1177.5-66.7-22.8000114.1I167 N168D164-I167 PolarHBondContact O-N 3.43Å; D164-N168 PolarHBondContact O-N 3.22Å
165Y62.5Low65.2Low168 Ų16869.1 Ų69.166%0.65938%0.384SS*.Hα-helixtrans-68.1-41.6-173.6-178.3-105.1000113.1S163 I167 N168 I169S163-Y165 PolarHBondContact O-N 2.9Å; Y165-I167 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 2.84Å; Y165-N168 PolarHBondContact O-N 3.4Å; Y165-I169 HydrophobicContact CD1-CD1 4.01Å; Y165-I169 HydrophobicContact CE1-CD1 3.5Å; Y165-I169 PolarHBondContact O-N 2.71Å
166N66.4Low65.7Low99 Ų9970.8 Ų70.853%0.52939%0.391SS..Hα-helixtrans-69.3-34.4179.6-71.3-35.6000111.5N168 I169 V170N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 3.46Å; N166-I169 PolarHBondContact O-N 2.9Å; N166-V170 WeakPolarHBondContact O-CG2 3.5Å; N166-V170 PolarHBondContact O-N 2.9Å; N166-V170 VanDerWaalsContact O-N 3.07Å
167I67.6Low66.7Low21 Ų2169.8 Ų69.811%0.10838%0.384CS..Hα-helixtrans-60.2-47.2178.2-52.1-170.1000110.1T156 D164 Y165 I169 V170 I171 I212T156-I167 HydrophobicContact CG2-CB 3.8Å; T156-I167 HydrophobicContact CG2-CD1 4.01Å; T156-I167 HydrophobicContact CG2-CG1 3.46Å; T156-I167 VanDerWaalsContact CG2-CG1 3.46Å; T156-I167 HydrophobicContact CG2-CG2 3.66Å; D164-I167 PolarHBondContact O-N 3.43Å; Y165-I167 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 2.84Å; I167-I169 VanDerWaalsContact C-N 3.35Å; I167-I169 PolarHBondContact O-N 2.97Å; I167-V170 PolarHBondContact O-N 3.36Å; I167-I171 HydrophobicContact CG2-CD1 3.62Å; I167-I171 HydrophobicContact CG2-CG1 4.38Å; I167-I171 WeakPolarHBondContact O-CG1 3.37Å; I167-I171 PolarHBondContact O-N 2.91Å; I167-I212 HydrophobicContact CG2-CG2 4.35Å
168N70Confident67.7Low45 Ų4566.5 Ų66.524%0.24137%0.367CS..Hα-helixtrans-59.4-44.4179.3-171.14.2000112.2D164 Y165 N166 V170 I171 S172 L216 L218D164-N168 PolarHBondContact O-N 3.22Å; Y165-N168 PolarHBondContact O-N 3.4Å; N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 3.46Å; N168-V170 PolarHBondContact O-N 3.1Å; N168-I171 PolarHBondContact O-N 3.37Å; N168-S172 VanDerWaalsContact O-CB 3.22Å; N168-S172 WeakPolarHBondContact O-CB 3.35Å; N168-S172 PolarHBondContact O-N 3.15Å; N168-S172 PolarHBondContact O-OG 3.39Å; N168-S172 PolarHBondContact OD1-OG 3.31Å; N168-L216 HydrophobicContact CB-CD2 3.73Å; N168-L216 VanDerWaalsContact CG-CD2 3.43Å; N168-L218 VanDerWaalsContact OD1-CD1 3.28Å; N168-L218 WeakPolarHBondContact OD1-CD1 3.42Å
169I74.3Confident68.8Low66 Ų6662.2 Ų62.234%0.33834%0.342SS..Hα-helixtrans-62.7-45.3178.9-65.3170.8000110.9Y165 N166 I167 K173Y165-I169 HydrophobicContact CD1-CD1 4.01Å; Y165-I169 HydrophobicContact CE1-CD1 3.5Å; Y165-I169 PolarHBondContact O-N 2.71Å; N166-I169 PolarHBondContact O-N 2.9Å; I167-I169 VanDerWaalsContact C-N 3.35Å; I167-I169 PolarHBondContact O-N 2.97Å; I169-K173 HydrophobicContact CG2-CD 4.33Å; I169-K173 WeakPolarHBondContact O-CB 3.43Å; I169-K173 WeakPolarHBondContact O-CG 3.24Å; I169-K173 PolarHBondContact O-N 2.83Å
170V75.1Confident70.1Confident25 Ų2558.1 Ų58.115%0.15232%0.322CS..Hα-helixtrans-60.4-51.7179.21700000109.7F122 N166 I167 N168 S172 K173 V174F122-V170 HydrophobicContact CE2-CG2 4.29Å; F122-V170 HydrophobicContact CZ-CG1 4.12Å; N166-V170 WeakPolarHBondContact O-CG2 3.5Å; N166-V170 PolarHBondContact O-N 2.9Å; N166-V170 VanDerWaalsContact O-N 3.07Å; I167-V170 PolarHBondContact O-N 3.36Å; N168-V170 PolarHBondContact O-N 3.1Å; V170-S172 PolarHBondContact O-N 2.96Å; V170-K173 PolarHBondContact O-N 3.21Å; V170-V174 HydrophobicContact CG1-CG2 4.4Å; V170-V174 VanDerWaalsContact O-CG2 3.31Å; V170-V174 WeakPolarHBondContact O-CG2 3.17Å; V170-V174 PolarHBondContact O-N 3.41Å
171I75.6Confident71.7Confident15 Ų1552.8 Ų52.88%0.07729%0.294CS..Hα-helixtrans-64.9-41.6-177.7-66.5173.2000111.7I167 N168 K173 V174 S175 I209 I212I167-I171 HydrophobicContact CG2-CD1 3.62Å; I167-I171 HydrophobicContact CG2-CG1 4.38Å; I167-I171 WeakPolarHBondContact O-CG1 3.37Å; I167-I171 PolarHBondContact O-N 2.91Å; N168-I171 PolarHBondContact O-N 3.37Å; I171-K173 VanDerWaalsContact C-N 3.32Å; I171-K173 PolarHBondContact O-N 3.4Å; I171-V174 PolarHBondContact O-N 3.02Å; I171-S175 WeakPolarHBondContact O-CB 3.26Å; I171-S175 PolarHBondContact O-N 3.22Å; I171-I209 HydrophobicContact CG2-CG2 4.01Å; I171-I212 HydrophobicContact CD1-CB 3.72Å; I171-I212 HydrophobicContact CD1-CD1 3.58Å; I171-I212 HydrophobicContact CD1-CG1 4.23Å; I171-I212 HydrophobicContact CD1-CG2 3.2Å
172S76.1Confident72.9Confident54 Ų5449.5 Ų49.538%0.37827%0.265SS..Hα-helixtrans-59-44.4175.4-65.10000111.1N168 V170 S175 M176N168-S172 VanDerWaalsContact O-CB 3.22Å; N168-S172 WeakPolarHBondContact O-CB 3.35Å; N168-S172 PolarHBondContact O-N 3.15Å; N168-S172 PolarHBondContact O-OG 3.39Å; N168-S172 PolarHBondContact OD1-OG 3.31Å; V170-S172 PolarHBondContact O-N 2.96Å; S172-S175 PolarHBondContact O-N 3.31Å; S172-M176 WeakPolarHBondContact O-CB 3.21Å; S172-M176 PolarHBondContact O-N 3.18Å
173K77.7Confident74.2Confident84 Ų8451.8 Ų51.837%0.36526%0.263SS..Hα-helixtrans-66.3-43.2175.9-74-174.6178.6-167.40112.6F122 I169 V170 I171 S175 M176 I177F122-K173 HydrophobicContact CB-CD 4.14Å; F122-K173 HydrophobicContact CD1-CB 3.81Å; F122-K173 HydrophobicContact CD1-CD 3.75Å; F122-K173 HydrophobicContact CD1-CG 4.42Å; F122-K173 HydrophobicContact CD2-CD 4.02Å; F122-K173 HydrophobicContact CE1-CB 3.5Å; F122-K173 VanDerWaalsContact CE1-CB 3.5Å; F122-K173 HydrophobicContact CE1-CD 4.08Å; F122-K173 HydrophobicContact CE1-CG 4.46Å; F122-K173 HydrophobicContact CE2-CD 4.31Å; F122-K173 HydrophobicContact CG-CD 3.72Å; F122-K173 HydrophobicContact CZ-CB 4.04Å; F122-K173 HydrophobicContact CZ-CD 4.34Å; I169-K173 HydrophobicContact CG2-CD 4.33Å; I169-K173 WeakPolarHBondContact O-CB 3.43Å; I169-K173 WeakPolarHBondContact O-CG 3.24Å; I169-K173 PolarHBondContact O-N 2.83Å; V170-K173 PolarHBondContact O-N 3.21Å; I171-K173 VanDerWaalsContact C-N 3.32Å; I171-K173 PolarHBondContact O-N 3.4Å; K173-S175 VanDerWaalsContact C-N 3.33Å; K173-S175 PolarHBondContact O-N 3.33Å; K173-M176 WeakPolarHBondContact O-CB 3.32Å; K173-M176 PolarHBondContact O-N 3.17Å; K173-I177 VanDerWaalsContact O-CG1 3.25Å; K173-I177 WeakPolarHBondContact O-CG1 3.25Å; K173-I177 PolarHBondContact O-N 3.41Å
174V79.6Confident75.3Confident0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-61.2-43.9177171.70000110.9F122 L149 V170 I171 M176 I177 L178 I209F122-V174 HydrophobicContact CE1-CG2 4.18Å; F122-V174 HydrophobicContact CZ-CG2 4.26Å; L149-V174 HydrophobicContact CB-CG1 4.49Å; L149-V174 HydrophobicContact CD1-CG1 4.2Å; L149-V174 HydrophobicContact CD2-CB 4.32Å; L149-V174 HydrophobicContact CD2-CG1 3.92Å; L149-V174 HydrophobicContact CD2-CG2 3.68Å; L149-V174 HydrophobicContact CG-CG1 4.44Å; V170-V174 HydrophobicContact CG1-CG2 4.4Å; V170-V174 VanDerWaalsContact O-CG2 3.31Å; V170-V174 WeakPolarHBondContact O-CG2 3.17Å; V170-V174 PolarHBondContact O-N 3.41Å; I171-V174 PolarHBondContact O-N 3.02Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 3.46Å; V174-I177 PolarHBondContact O-N 3.15Å; V174-L178 HydrophobicContact CG1-CD1 4.14Å; V174-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 WeakPolarHBondContact O-CG 3.48Å; V174-L178 PolarHBondContact O-N 2.86Å; V174-I209 HydrophobicContact CG1-CD1 3.87Å
175S77.9Confident76.2Confident7 Ų752.9 Ų52.95%0.04926%0.255CS..Hα-helixtrans-59.4-45.2174.2-1720000111.4I171 S172 K173 I177 L178 A179I171-S175 WeakPolarHBondContact O-CB 3.26Å; I171-S175 PolarHBondContact O-N 3.22Å; S172-S175 PolarHBondContact O-N 3.31Å; K173-S175 VanDerWaalsContact C-N 3.33Å; K173-S175 PolarHBondContact O-N 3.33Å; S175-I177 PolarHBondContact O-N 2.9Å; S175-L178 PolarHBondContact O-N 3.21Å; S175-A179 WeakPolarHBondContact O-CB 3.04Å; S175-A179 PolarHBondContact O-N 3.36Å
176M79.4Confident76.9Confident101 Ų10147.8 Ų47.850%0.49824%0.238SC..Hα-helixtrans-60.7-44176.9-167.1-177.5-154.900112.1N126 S172 K173 V174 A179 S180N126-M176 WeakPolarHBondContact ND2-CE 3.49Å; S172-M176 WeakPolarHBondContact O-CB 3.21Å; S172-M176 PolarHBondContact O-N 3.18Å; K173-M176 WeakPolarHBondContact O-CB 3.32Å; K173-M176 PolarHBondContact O-N 3.17Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 3.46Å; M176-A179 PolarHBondContact O-N 2.76Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-S180 PolarHBondContact O-OG 3.01Å
177I82.1Confident77.6Confident5 Ų543.3 Ų43.33%0.02621%0.214CC..Hα-helixtrans-62.3-47.6177.3-69.5166.1000110.7L121 F122 L129 K173 V174 S175 A179 S180 F181L121-I177 HydrophobicContact CB-CD1 4.11Å; F122-I177 HydrophobicContact CD1-CD1 3.8Å; F122-I177 HydrophobicContact CE1-CD1 3.94Å; L129-I177 HydrophobicContact CD1-CB 4.43Å; L129-I177 HydrophobicContact CD1-CG1 3.82Å; L129-I177 HydrophobicContact CD1-CG2 4.26Å; K173-I177 VanDerWaalsContact O-CG1 3.25Å; K173-I177 WeakPolarHBondContact O-CG1 3.25Å; K173-I177 PolarHBondContact O-N 3.41Å; V174-I177 PolarHBondContact O-N 3.15Å; S175-I177 PolarHBondContact O-N 2.9Å; I177-A179 VanDerWaalsContact C-N 3.28Å; I177-A179 PolarHBondContact O-N 3.49Å; I177-S180 WeakPolarHBondContact O-CB 3.48Å; I177-S180 PolarHBondContact O-N 2.91Å; I177-S180 VanDerWaalsContact O-N 3.15Å; I177-F181 HydrophobicContact CG2-CD1 4.43Å; I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE1 3.97Å; I177-F181 HydrophobicContact CG2-CE2 3.39Å; I177-F181 HydrophobicContact CG2-CG 4.48Å; I177-F181 HydrophobicContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact O-CG 3.26Å; I177-F181 WeakPolarHBondContact O-CG 3.43Å; I177-F181 PolarHBondContact O-N 3.06Å
178L80.3Confident78.2Confident3 Ų345.5 Ų45.52%0.01623%0.23CC..Hα-helixtrans-61.3-38.4177.3-70.8174000111.5L146 L149 V174 S175 F181 Q182 I209 I229L146-L178 HydrophobicContact CD2-CD2 4.33Å; L149-L178 HydrophobicContact CD1-CD2 4.08Å; L149-L178 HydrophobicContact CD1-CG 4.42Å; V174-L178 HydrophobicContact CG1-CD1 4.14Å; V174-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 WeakPolarHBondContact O-CG 3.48Å; V174-L178 PolarHBondContact O-N 2.86Å; S175-L178 PolarHBondContact O-N 3.21Å; L178-F181 HydrophobicContact CD2-CD2 4.48Å; L178-F181 PolarHBondContact O-N 3.21Å; L178-Q182 PolarHBondContact O-N 3.04Å; L178-I209 HydrophobicContact CD1-CD1 3.95Å; L178-I229 HydrophobicContact CB-CD1 4.08Å
179A80.1Confident78.7Confident16 Ų1647.8 Ų47.813%0.13224%0.242CC..Hα-helixtrans-66.7-38.3174.100000112.5S175 M176 I177 Q182 K183S175-A179 WeakPolarHBondContact O-CB 3.04Å; S175-A179 PolarHBondContact O-N 3.36Å; M176-A179 PolarHBondContact O-N 2.76Å; I177-A179 VanDerWaalsContact C-N 3.28Å; I177-A179 PolarHBondContact O-N 3.49Å; A179-Q182 PolarHBondContact O-N 2.53Å; A179-K183 PolarHBondContact O-N 2.98Å
180S78.2Confident79Confident7 Ų744.7 Ų44.75%0.04923%0.227CC..Hα-helixtrans-64.8-39.3173.1-63.50000112.1N126 M176 I177 K183N126-S180 WeakPolarHBondContact CB-OG 3.37Å; N126-S180 PolarHBondContact OD1-OG 3.2Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-S180 PolarHBondContact O-OG 3.01Å; I177-S180 WeakPolarHBondContact O-CB 3.48Å; I177-S180 PolarHBondContact O-N 2.91Å; I177-S180 VanDerWaalsContact O-N 3.15Å; S180-K183 PolarHBondContact O-N 3.46Å
181F81Confident79.3Confident1 Ų143.6 Ų43.60%0.00422%0.22CC..Hα-helixtrans-64.4-41.2175.8-64.7-17.6000112L129 F133 I145 I177 L178 K183 S184 F187L129-F181 HydrophobicContact CB-CD1 4.06Å; L129-F181 HydrophobicContact CB-CE1 3.66Å; L129-F181 HydrophobicContact CD2-CE1 3.74Å; L129-F181 HydrophobicContact CD2-CZ 4.12Å; L129-F181 HydrophobicContact CG-CE1 4.2Å; L129-F181 WeakPolarHBondContact O-CD1 3.38Å; F133-F181 HydrophobicContact CD2-CD1 4.27Å; F133-F181 HydrophobicContact CE2-CB 3.93Å; F133-F181 AromaticContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD1 3.44Å; F133-F181 VanDerWaalsContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD2 4.1Å; F133-F181 AromaticContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE2 4.44Å; F133-F181 AromaticContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CZ 4.27Å; F133-F181 HydrophobicContact CZ-CD1 4.34Å; F133-F181 HydrophobicContact CZ-CD2 4.31Å; F133-F181 HydrophobicContact CZ-CE1 4.42Å; F133-F181 HydrophobicContact CZ-CE2 4.47Å; F133-F181 HydrophobicContact CZ-CG 4.23Å; I145-F181 HydrophobicContact CD1-CE2 3.77Å; I145-F181 HydrophobicContact CD1-CZ 3.65Å; I145-F181 HydrophobicContact CG2-CE2 3.77Å; I145-F181 HydrophobicContact CG2-CZ 4.21Å; I177-F181 HydrophobicContact CG2-CD1 4.43Å; I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE1 3.97Å; I177-F181 HydrophobicContact CG2-CE2 3.39Å; I177-F181 HydrophobicContact CG2-CG 4.48Å; I177-F181 HydrophobicContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact O-CG 3.26Å; I177-F181 WeakPolarHBondContact O-CG 3.43Å; I177-F181 PolarHBondContact O-N 3.06Å; L178-F181 HydrophobicContact CD2-CD2 4.48Å; L178-F181 PolarHBondContact O-N 3.21Å; F181-K183 PolarHBondContact O-N 3.48Å; F181-S184 WeakPolarHBondContact O-CB 3.44Å; F181-S184 PolarHBondContact O-N 3.31Å; F181-F187 HydrophobicContact CB-CD2 3.88Å; F181-F187 HydrophobicContact CB-CE2 3.89Å; F181-F187 WeakPolarHBondContact O-CB 3.06Å; F181-F187 WeakPolarHBondContact O-CD2 3.14Å; F181-F187 WeakPolarHBondContact O-CG 3.29Å
182Q79.7Confident79.5Confident52 Ų5245.7 Ų45.724%0.24323%0.231CC..Hα-helixtrans-58.7-32177.3-166.1-169.56.500113.3L178 A179 S184 I229L178-Q182 PolarHBondContact O-N 3.04Å; A179-Q182 PolarHBondContact O-N 2.53Å; Q182-S184 PolarHBondContact O-N 3.44Å; Q182-I229 HydrophobicContact CB-CD1 4.33Å; Q182-I229 HydrophobicContact CB-CG1 3.99Å; Q182-I229 HydrophobicContact CG-CG1 3.96Å
183K78.2Confident79.8Confident144 Ų14446.4 Ų46.463%0.62624%0.236SC*.THydrogen-bonded Turntrans-69.8-18177.2-68178.6-178.8-179.10113E130 A179 S180 F181E130-K183 HydrophobicContact CG-CB 3.85Å; A179-K183 PolarHBondContact O-N 2.98Å; S180-K183 PolarHBondContact O-N 3.46Å; F181-K183 PolarHBondContact O-N 3.48Å
184S80.4Confident80Confident6 Ų642.9 Ų42.94%0.04222%0.221CC..SBendtrans-69.1135.3-179.2-160.70000112.1E130 F133 N134 F181 Q182 Q186 F187E130-S184 WeakPolarHBondContact O-CB 3.46Å; E130-S184 PolarHBondContact O-OG 3.37Å; F133-S184 WeakPolarHBondContact CB-OG 3.41Å; N134-S184 PolarHBondContact OD1-OG 2.99Å; F181-S184 WeakPolarHBondContact O-CB 3.44Å; F181-S184 PolarHBondContact O-N 3.31Å; Q182-S184 PolarHBondContact O-N 3.44Å; S184-Q186 PolarHBondContact O-N 3.36Å; S184-F187 WeakPolarHBondContact O-CB 3.42Å; S184-F187 PolarHBondContact O-N 2.71Å; S184-F187 VanDerWaalsContact O-N 3.1Å
185K77.3Confident80.1Confident191 Ų19148 Ų4883%0.8325%0.248SC*.THydrogen-bonded Turntrans-62.5-31.3-177.8-64.4-178.7-179.4177.90112.7N134N134-K185 PolarHBondContact OD1-N 3.1Å
186Q78.4Confident80.3Confident62 Ų6253.3 Ų53.329%0.2928%0.275SS..THydrogen-bonded Turntrans-94.95-179-64.1-173.134.300113.1F133 N134 S184 L189 A190F133-Q186 HydrophobicContact CB-CB 4.08Å; F133-Q186 WeakPolarHBondContact O-CB 3.26Å; F133-Q186 PolarHBondContact O-OE1 3.35Å; N134-Q186 PolarHBondContact O-NE2 3.12Å; S184-Q186 PolarHBondContact O-N 3.36Å; Q186-L189 PolarHBondContact O-N 3.35Å; Q186-A190 WeakPolarHBondContact O-CB 3.41Å; Q186-A190 PolarHBondContact O-N 3.37Å
187F80Confident80.4Confident5 Ų552.3 Ų52.32%0.02228%0.278CS..Hα-helixtrans-63-44.2178.2-178.2-103.8000112.1L142 F181 S184 L189 A190 V191 T232 F233L142-F187 HydrophobicContact CD1-CE2 4.03Å; L142-F187 HydrophobicContact CD2-CE2 4.33Å; F181-F187 HydrophobicContact CB-CD2 3.88Å; F181-F187 HydrophobicContact CB-CE2 3.89Å; F181-F187 WeakPolarHBondContact O-CB 3.06Å; F181-F187 WeakPolarHBondContact O-CD2 3.14Å; F181-F187 WeakPolarHBondContact O-CG 3.29Å; S184-F187 WeakPolarHBondContact O-CB 3.42Å; S184-F187 PolarHBondContact O-N 2.71Å; S184-F187 VanDerWaalsContact O-N 3.1Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 3Å; F187-A190 WeakPolarHBondContact O-CB 3.49Å; F187-A190 PolarHBondContact O-N 2.83Å; F187-A190 VanDerWaalsContact O-N 3.11Å; F187-V191 HydrophobicContact CD1-CG2 4.09Å; F187-V191 HydrophobicContact CD2-CG2 4.49Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CE2-CG2 4.12Å; F187-V191 HydrophobicContact CG-CG2 4.49Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CG2 3.5Å; F187-V191 PolarHBondContact O-N 3.41Å; F187-T232 HydrophobicContact CD1-CG2 4.36Å; F187-T232 HydrophobicContact CE1-CG2 4.08Å; F187-F233 HydrophobicContact CZ-CE2 4.35Å; F187-F233 AromaticContact CZ-CZ 3.99Å; F187-F233 HydrophobicContact CZ-CZ 3.99Å
188S80.8Confident80.5Confident66 Ų6654.2 Ų54.246%0.46229%0.287SS..Hα-helixtrans-56.4-46176.1-1680000111.4A190 V191 D192S188-A190 VanDerWaalsContact C-N 3.35Å; S188-A190 PolarHBondContact O-N 3.31Å; S188-V191 PolarHBondContact O-N 3.35Å; S188-D192 VanDerWaalsContact O-CG 3.31Å; S188-D192 PolarHBondContact O-N 3.34Å
189L80.7Confident80.6Confident94 Ų9454.5 Ų54.549%0.49229%0.288SS..Hα-helixtrans-64.1-40.6177.2-176.967.1000111.8Q186 F187 V191 D192 C193Q186-L189 PolarHBondContact O-N 3.35Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 3Å; L189-V191 VanDerWaalsContact C-N 3.29Å; L189-V191 PolarHBondContact O-N 3.22Å; L189-D192 PolarHBondContact O-N 3.12Å; L189-C193 PolarHBondContact O-N 3.17Å; L189-C193 VanDerWaalsContact O-N 3.16Å; L189-C193 PolarHBondContact O-SG 3.5Å; L189-C193 VanDerWaalsContact O-SG 3.4Å
190A80.5Confident80.7Confident1 Ų159.8 Ų59.81%0.00831%0.31CS..Hα-helixtrans-63-37176.800000112F133 L142 Q186 F187 S188F133-A190 HydrophobicContact CD1-CB 3.81Å; F133-A190 HydrophobicContact CE1-CB 4.29Å; L142-A190 HydrophobicContact CD2-CB 3.89Å; Q186-A190 WeakPolarHBondContact O-CB 3.41Å; Q186-A190 PolarHBondContact O-N 3.37Å; F187-A190 WeakPolarHBondContact O-CB 3.49Å; F187-A190 PolarHBondContact O-N 2.83Å; F187-A190 VanDerWaalsContact O-N 3.11Å; S188-A190 VanDerWaalsContact C-N 3.35Å; S188-A190 PolarHBondContact O-N 3.31Å
191V80.6Confident80.8Confident1 Ų162.4 Ų62.41%0.00633%0.326CS..Hα-helixtrans-68.7-39.9174.9173.10000111.8L142 F187 S188 L189 C193 L194 T232 F233L142-V191 HydrophobicContact CD2-CG2 4Å; F187-V191 HydrophobicContact CD1-CG2 4.09Å; F187-V191 HydrophobicContact CD2-CG2 4.49Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CE2-CG2 4.12Å; F187-V191 HydrophobicContact CG-CG2 4.49Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CG2 3.5Å; F187-V191 PolarHBondContact O-N 3.41Å; S188-V191 PolarHBondContact O-N 3.35Å; L189-V191 VanDerWaalsContact C-N 3.29Å; L189-V191 PolarHBondContact O-N 3.22Å; V191-C193 PolarHBondContact O-N 2.71Å; V191-L194 VanDerWaalsContact O-CB 3.32Å; V191-L194 WeakPolarHBondContact O-CB 3.23Å; V191-L194 PolarHBondContact O-N 3.29Å; V191-L194 VanDerWaalsContact O-N 3.12Å; V191-T232 HydrophobicContact CG1-CG2 4.49Å; V191-T232 HydrophobicContact CG2-CG2 4.4Å; V191-F233 HydrophobicContact CB-CE1 4.47Å; V191-F233 HydrophobicContact CG1-CD1 3.67Å; V191-F233 HydrophobicContact CG1-CE1 4.02Å; V191-F233 HydrophobicContact CG1-CG 4.48Å; V191-F233 HydrophobicContact CG2-CD1 4.17Å; V191-F233 HydrophobicContact CG2-CE1 3.7Å; V191-F233 HydrophobicContact CG2-CZ 4.21Å
192D80.6Confident80.9Confident60 Ų6062.3 Ų62.332%0.32133%0.325SS..Hα-helixtrans-64.7-29.3178-69.2-27.8000112.7S188 L189 L194 S236S188-D192 VanDerWaalsContact O-CG 3.31Å; S188-D192 PolarHBondContact O-N 3.34Å; L189-D192 PolarHBondContact O-N 3.12Å; D192-L194 VanDerWaalsContact C-N 3.32Å; D192-S236 WeakPolarHBondContact OD1-CB 3.32Å
193C81.7Confident81Confident69 Ų6961.9 Ų61.947%0.46632%0.323SS..THydrogen-bonded Turntrans-83.9-0.6176.1-65.40000114.4V139 L189 V191V139-C193 HydrophobicContact CB-CB 4.25Å; V139-C193 HydrophobicContact CG1-CB 3.23Å; V139-C193 HydrophobicContact CG2-CB 4.1Å; L189-C193 PolarHBondContact O-N 3.17Å; L189-C193 VanDerWaalsContact O-N 3.16Å; L189-C193 PolarHBondContact O-SG 3.5Å; L189-C193 VanDerWaalsContact O-SG 3.4Å; V191-C193 PolarHBondContact O-N 2.71Å
194L82Confident81.2Confident10 Ų1058.8 Ų58.85%0.05231%0.311CS..SBendtrans-73.3145175.5-66.3177.7000111.6L142 P143 L146 V191 D192 E198 K199 F233L142-L194 HydrophobicContact CB-CD2 4.25Å; L142-L194 HydrophobicContact CD2-CD1 3.84Å; L142-L194 HydrophobicContact CD2-CD2 4.05Å; L142-L194 HydrophobicContact CD2-CG 4.11Å; L142-L194 HydrophobicContact CG-CD1 4.49Å; L142-L194 HydrophobicContact CG-CD2 4.22Å; P143-L194 HydrophobicContact CB-CD2 4.33Å; P143-L194 HydrophobicContact CG-CD2 3.56Å; L146-L194 HydrophobicContact CD1-CD1 4.25Å; V191-L194 VanDerWaalsContact O-CB 3.32Å; V191-L194 WeakPolarHBondContact O-CB 3.23Å; V191-L194 PolarHBondContact O-N 3.29Å; V191-L194 VanDerWaalsContact O-N 3.12Å; D192-L194 VanDerWaalsContact C-N 3.32Å; L194-E198 HydrophobicContact CB-CB 4.33Å; L194-E198 HydrophobicContact CD2-CB 4.29Å; L194-K199 HydrophobicContact CB-CG 3.87Å; L194-K199 HydrophobicContact CD1-CG 4.39Å; L194-K199 WeakPolarHBondContact O-CE 3.4Å; L194-F233 HydrophobicContact CD1-CD1 4.22Å; L194-F233 HydrophobicContact CD1-CE1 3.69Å
195L82.5Confident81.3Confident108 Ų10858.5 Ų58.557%0.56531%0.309SS*.  trans-69.6153.1168.6-66.7160.9000110.8S197 E198 K199L195-S197 PolarHBondContact O-N 3.05Å; L195-E198 HydrophobicContact CB-CB 4.4Å; L195-E198 HydrophobicContact CB-CG 4Å; L195-E198 HydrophobicContact CD1-CG 4.46Å; L195-E198 PolarHBondContact N-OE2 2.88Å; L195-E198 WeakPolarHBondContact O-CA 3.49Å; L195-E198 WeakPolarHBondContact O-CB 3.43Å; L195-E198 PolarHBondContact O-N 3.48Å; L195-K199 WeakPolarHBondContact O-CG 3.23Å; L195-K199 PolarHBondContact O-N 2.9Å
196D82.2Confident81.4Confident117 Ų11749.7 Ų49.763%0.62627%0.271SS*.Hα-helixtrans-58-35.9177.5-64.8-37.9000112.5E198 K199 E200D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.5Å; D196-K199 PolarHBondContact O-N 2.96Å; D196-E200 PolarHBondContact O-N 3.19Å
197S81Confident81.5Confident80 Ų8053.3 Ų53.356%0.55929%0.288SS*.Hα-helixtrans-63.7-37.4173.656.60000112.6L195 E200 T201L195-S197 PolarHBondContact O-N 3.05Å; S197-E200 PolarHBondContact O-N 2.64Å; S197-T201 WeakPolarHBondContact O-CG2 3.47Å; S197-T201 PolarHBondContact O-N 2.86Å; S197-T201 VanDerWaalsContact O-N 3.12Å
198E84.2Confident81.5Confident45 Ų4555.2 Ų55.221%0.2130%0.296CS..Hα-helixtrans-73.7-38.9179.2-63.1168.7156.900110.4P143 L194 L195 D196 E200 T201 A202P143-E198 VanDerWaalsContact CB-CD 3.48Å; P143-E198 HydrophobicContact CB-CG 4.08Å; P143-E198 VanDerWaalsContact CB-OE1 3.22Å; P143-E198 WeakPolarHBondContact CB-OE1 3.34Å; P143-E198 WeakPolarHBondContact CG-OE1 3.31Å; L194-E198 HydrophobicContact CB-CB 4.33Å; L194-E198 HydrophobicContact CD2-CB 4.29Å; L195-E198 HydrophobicContact CB-CB 4.4Å; L195-E198 HydrophobicContact CB-CG 4Å; L195-E198 HydrophobicContact CD1-CG 4.46Å; L195-E198 PolarHBondContact N-OE2 2.88Å; L195-E198 WeakPolarHBondContact O-CA 3.49Å; L195-E198 WeakPolarHBondContact O-CB 3.43Å; L195-E198 PolarHBondContact O-N 3.48Å; D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.5Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 3.48Å; E198-T201 WeakPolarHBondContact CA-OG1 3.36Å; E198-T201 PolarHBondContact O-N 3.48Å; E198-T201 PolarHBondContact O-OG1 3.31Å; E198-A202 PolarHBondContact O-N 2.95Å
199K82.2Confident81.4Confident9 Ų952.2 Ų52.24%0.03928%0.275CS..Hα-helixtrans-59.2-42.5170.9-65.6-179.5-171.3-178.60111.2L194 L195 D196 T201 A202 H203 S236 N237L194-K199 HydrophobicContact CB-CG 3.87Å; L194-K199 HydrophobicContact CD1-CG 4.39Å; L194-K199 WeakPolarHBondContact O-CE 3.4Å; L195-K199 WeakPolarHBondContact O-CG 3.23Å; L195-K199 PolarHBondContact O-N 2.9Å; D196-K199 PolarHBondContact O-N 2.96Å; K199-T201 PolarHBondContact O-N 2.95Å; K199-A202 WeakPolarHBondContact O-CB 3.36Å; K199-A202 PolarHBondContact O-N 3.29Å; K199-H203 PolarHBondContact O-N 3.33Å; K199-H203 PolarHBondContact O-ND1 3.22Å; K199-S236 WeakPolarHBondContact CE-OG 3.14Å; K199-S236 PolarHBondContact NZ-OG 3.46Å; K199-N237 PolarHBondContact NZ-OD1 3.48Å
200E81.5Confident81.2Confident127 Ų12750.9 Ų50.959%0.59327%0.265SS*.Hα-helixtrans-61.8-43176-173.757.4-149.900111.5D196 S197 E198 A202 H203 H204D196-E200 PolarHBondContact O-N 3.19Å; S197-E200 PolarHBondContact O-N 2.64Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 3.48Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 3.33Å; E200-H203 PolarHBondContact O-N 3.07Å; E200-H204 WeakPolarHBondContact O-CB 3.34Å; E200-H204 PolarHBondContact O-N 3.44Å
201T80.7Confident81.1Confident62 Ų6254.8 Ų54.838%0.3829%0.286SS..Hα-helixtrans-62.5-35.7174.962.80000112.9S197 E198 K199 L205S197-T201 WeakPolarHBondContact O-CG2 3.47Å; S197-T201 PolarHBondContact O-N 2.86Å; S197-T201 VanDerWaalsContact O-N 3.12Å; E198-T201 WeakPolarHBondContact CA-OG1 3.36Å; E198-T201 PolarHBondContact O-N 3.48Å; E198-T201 PolarHBondContact O-OG1 3.31Å; K199-T201 PolarHBondContact O-N 2.95Å; T201-L205 WeakPolarHBondContact O-CB 3.36Å; T201-L205 PolarHBondContact O-N 2.99Å
202A83.6Confident80.8Confident0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-66.5-42.8174.900000111.7L146 E198 K199 E200 L205 I206 F233L146-A202 HydrophobicContact CD1-CB 3.98Å; L146-A202 HydrophobicContact CD2-CB 4.29Å; E198-A202 PolarHBondContact O-N 2.95Å; K199-A202 WeakPolarHBondContact O-CB 3.36Å; K199-A202 PolarHBondContact O-N 3.29Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 3.33Å; A202-L205 PolarHBondContact O-N 3.22Å; A202-I206 VanDerWaalsContact O-CG1 3.29Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 3.45Å; A202-F233 HydrophobicContact CB-CD1 3.99Å; A202-F233 HydrophobicContact CB-CD2 4.37Å; A202-F233 HydrophobicContact CB-CE1 3.8Å; A202-F233 HydrophobicContact CB-CE2 4.19Å; A202-F233 HydrophobicContact CB-CG 4.29Å; A202-F233 HydrophobicContact CB-CZ 3.91Å
203H81.3Confident80.3Confident42 Ų4254.8 Ų54.819%0.19428%0.283CS..Hα-helixtrans-61.8-45.9175.6-76.494.1000111.6K199 E200 L205 I206 Q207 K234K199-H203 PolarHBondContact O-N 3.33Å; K199-H203 PolarHBondContact O-ND1 3.22Å; E200-H203 PolarHBondContact O-N 3.07Å; H203-L205 VanDerWaalsContact C-N 3.35Å; H203-L205 PolarHBondContact O-N 2.96Å; H203-I206 PolarHBondContact O-N 2.88Å; H203-Q207 WeakPolarHBondContact O-CB 3.33Å; H203-Q207 PolarHBondContact O-N 2.88Å; H203-K234 WeakPolarHBondContact NE2-CG 3.29Å
204H82.6Confident79.9Confident79 Ų7955.6 Ų55.637%0.36628%0.283SS..Hα-helixtrans-60.2-43.6176.7-180-106.7000112N150 E200 Q207 K208N150-H204 PolarHBondContact OD1-ND1 3.27Å; E200-H204 WeakPolarHBondContact O-CB 3.34Å; E200-H204 PolarHBondContact O-N 3.44Å; H204-Q207 PolarHBondContact O-N 3.44Å; H204-K208 WeakPolarHBondContact CE1-CE 3.43Å; H204-K208 PolarHBondContact CE1-NZ 2.85Å; H204-K208 VanDerWaalsContact NE2-CE 3.33Å; H204-K208 WeakPolarHBondContact NE2-CE 3.35Å; H204-K208 WeakPolarHBondContact O-CB 3.43Å; H204-K208 WeakPolarHBondContact O-CG 3.47Å; H204-K208 PolarHBondContact O-N 3.49Å
205L81.8Confident79.3Confident1 Ų162.2 Ų62.21%0.00531%0.311CS..Hα-helixtrans-59.3-47.7174.3175.461000111.8L146 L149 V153 T201 A202 H203 Q207 K208 I209L146-L205 HydrophobicContact CD2-CD2 4.14Å; L149-L205 HydrophobicContact CB-CD2 3.77Å; L149-L205 HydrophobicContact CD1-CD2 4.36Å; V153-L205 HydrophobicContact CB-CD1 4.19Å; V153-L205 HydrophobicContact CG2-CD1 3.7Å; T201-L205 WeakPolarHBondContact O-CB 3.36Å; T201-L205 PolarHBondContact O-N 2.99Å; A202-L205 PolarHBondContact O-N 3.22Å; H203-L205 VanDerWaalsContact C-N 3.35Å; H203-L205 PolarHBondContact O-N 2.96Å; L205-Q207 PolarHBondContact O-N 2.81Å; L205-K208 PolarHBondContact O-N 3.36Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 4.33Å; L205-I209 HydrophobicContact CG-CD1 3.97Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.46Å; L205-I209 PolarHBondContact O-N 3.43Å
206I80.5Confident78.5Confident5 Ų560.6 Ų60.63%0.02630%0.303CS..Hα-helixtrans-65.8-40179.7-65.7162.6000111.1A202 H203 K208 I209 K210 I229 A230 F233A202-I206 VanDerWaalsContact O-CG1 3.29Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 3.45Å; H203-I206 PolarHBondContact O-N 2.88Å; I206-K208 VanDerWaalsContact C-N 3.35Å; I206-I209 PolarHBondContact O-N 3.16Å; I206-K210 HydrophobicContact CG2-CD 4.3Å; I206-K210 WeakPolarHBondContact O-CG 3.34Å; I206-K210 PolarHBondContact O-N 3.28Å; I206-I229 HydrophobicContact CD1-CG2 3.79Å; I206-A230 HydrophobicContact CD1-CB 4.46Å; I206-A230 HydrophobicContact CG2-CB 4.18Å; I206-F233 HydrophobicContact CD1-CD2 3.55Å; I206-F233 HydrophobicContact CD1-CE2 3.77Å
207Q81.1Confident77.5Confident139 Ų13957.4 Ų57.465%0.6530%0.297SS*.Hα-helixtrans-63.5-41.9176.5-176.3173.2-18.700111.3H203 H204 L205 K210 D211H203-Q207 WeakPolarHBondContact O-CB 3.33Å; H203-Q207 PolarHBondContact O-N 2.88Å; H204-Q207 PolarHBondContact O-N 3.44Å; L205-Q207 PolarHBondContact O-N 2.81Å; Q207-K210 WeakPolarHBondContact O-CB 3.39Å; Q207-K210 PolarHBondContact O-N 2.96Å; Q207-D211 WeakPolarHBondContact O-CB 3.28Å; Q207-D211 PolarHBondContact O-N 2.94Å
208K79.4Confident76.3Confident45 Ų4557.6 Ų57.620%0.19629%0.292CS..Hα-helixtrans-61.6-45.7173.9-78.3-178.5164.7-175.20112.5V153 D154 H204 L205 I206 K210 D211 I212V153-K208 HydrophobicContact CG1-CB 4.25Å; V153-K208 HydrophobicContact CG1-CD 4.33Å; D154-K208 IonicContact OD1-NZ 2.86Å; D154-K208 PolarHBondContact OD1-NZ 3.25Å; H204-K208 WeakPolarHBondContact CE1-CE 3.43Å; H204-K208 PolarHBondContact CE1-NZ 2.85Å; H204-K208 VanDerWaalsContact NE2-CE 3.33Å; H204-K208 WeakPolarHBondContact NE2-CE 3.35Å; H204-K208 WeakPolarHBondContact O-CB 3.43Å; H204-K208 WeakPolarHBondContact O-CG 3.47Å; H204-K208 PolarHBondContact O-N 3.49Å; L205-K208 PolarHBondContact O-N 3.36Å; I206-K208 VanDerWaalsContact C-N 3.35Å; K208-K210 VanDerWaalsContact C-N 3.28Å; K208-K210 PolarHBondContact O-N 3.49Å; K208-D211 PolarHBondContact O-N 2.85Å; K208-I212 VanDerWaalsContact O-CG1 3.28Å; K208-I212 WeakPolarHBondContact O-CG1 3.45Å; K208-I212 PolarHBondContact O-N 2.91Å
209I77.7Confident74.8Confident2 Ų261.8 Ų61.81%0.0131%0.309CS..Hα-helixtrans-59.7-41.9176.1-69.1166.1000110.5I171 V174 L178 L205 I206 R213 L226I171-I209 HydrophobicContact CG2-CG2 4.01Å; V174-I209 HydrophobicContact CG1-CD1 3.87Å; L178-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 4.33Å; L205-I209 HydrophobicContact CG-CD1 3.97Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.46Å; L205-I209 PolarHBondContact O-N 3.43Å; I206-I209 PolarHBondContact O-N 3.16Å; I209-R213 WeakPolarHBondContact O-CB 3.31Å; I209-R213 PolarHBondContact O-N 3.32Å; I209-L226 HydrophobicContact CG2-CD1 3.71Å
210K78.3Confident73.6Confident66 Ų6670.9 Ų70.929%0.28735%0.352SS..Hα-helixtrans-62.4-48.7175.2-74.3175.7179.3178.90111.8I206 Q207 K208 I212 R213 D214I206-K210 HydrophobicContact CG2-CD 4.3Å; I206-K210 WeakPolarHBondContact O-CG 3.34Å; I206-K210 PolarHBondContact O-N 3.28Å; Q207-K210 WeakPolarHBondContact O-CB 3.39Å; Q207-K210 PolarHBondContact O-N 2.96Å; K208-K210 VanDerWaalsContact C-N 3.28Å; K208-K210 PolarHBondContact O-N 3.49Å; K210-I212 PolarHBondContact O-N 2.93Å; K210-R213 PolarHBondContact O-N 3.34Å; K210-D214 WeakPolarHBondContact O-CB 3.38Å; K210-D214 PolarHBondContact O-N 2.89Å
211D78.4Confident72.3Confident83 Ų8371.4 Ų71.444%0.44436%0.359SS..Hα-helixtrans-62.9-41.8-178.1-161.355.6000111.9Q207 K208 K215Q207-D211 WeakPolarHBondContact O-CB 3.28Å; Q207-D211 PolarHBondContact O-N 2.94Å; K208-D211 PolarHBondContact O-N 2.85Å; D211-K215 VanDerWaalsContact O-CG 3.25Å; D211-K215 WeakPolarHBondContact O-CG 3.28Å; D211-K215 PolarHBondContact O-N 3.38Å; D211-K215 VanDerWaalsContact OD2-CE 3.24Å; D211-K215 WeakPolarHBondContact OD2-CE 3.42Å; D211-K215 IonicContact OD2-NZ 3.75Å; D211-K215 PolarHBondContact OD2-NZ 3.34Å
212I73.1Confident71.1Confident28 Ų2872.1 Ų72.114%0.14436%0.36CS..Hα-helixtrans-69.7-38.2176.2-58.8165000111.1V153 I167 I171 K208 K210 K215 L216V153-I212 HydrophobicContact CG1-CD1 4.13Å; I167-I212 HydrophobicContact CG2-CG2 4.35Å; I171-I212 HydrophobicContact CD1-CB 3.72Å; I171-I212 HydrophobicContact CD1-CD1 3.58Å; I171-I212 HydrophobicContact CD1-CG1 4.23Å; I171-I212 HydrophobicContact CD1-CG2 3.2Å; K208-I212 VanDerWaalsContact O-CG1 3.28Å; K208-I212 WeakPolarHBondContact O-CG1 3.45Å; K208-I212 PolarHBondContact O-N 2.91Å; K210-I212 PolarHBondContact O-N 2.93Å; I212-K215 PolarHBondContact O-N 3.26Å; I212-L216 VanDerWaalsContact O-CB 3.29Å; I212-L216 WeakPolarHBondContact O-CB 3.34Å; I212-L216 PolarHBondContact O-N 3.39Å
213R71.1Confident70Confident34 Ų3473.8 Ų73.813%0.12838%0.378CS..Hα-helixtrans-65.8-42.2176.4-176.9-17963.9-179-0.9112.1I209 K210 K215 L216 G217 L218 D222 L226I209-R213 WeakPolarHBondContact O-CB 3.31Å; I209-R213 PolarHBondContact O-N 3.32Å; K210-R213 PolarHBondContact O-N 3.34Å; R213-K215 VanDerWaalsContact C-N 3.32Å; R213-L216 CarbonylContact O-C 3.52Å; R213-L216 PolarHBondContact O-N 2.86Å; R213-G217 PolarHBondContact O-N 2.93Å; R213-L218 WeakPolarHBondContact CD-O 3.35Å; R213-L218 HydrophobicContact CG-CB 4.16Å; R213-L218 WeakPolarHBondContact CG-O 3.14Å; R213-D222 PolarHBondContact NH1-O 3.21Å; R213-L226 VanDerWaalsContact NH1-CD1 3.34Å
214D72.8Confident69.2Low86 Ų8675.6 Ų75.646%0.4639%0.386SS..Hα-helixtrans-64.8-39.2177.8-69.1-11000110.5K210 L216 F219K210-D214 WeakPolarHBondContact O-CB 3.38Å; K210-D214 PolarHBondContact O-N 2.89Å; D214-L216 PolarHBondContact O-N 3.2Å; D214-F219 WeakPolarHBondContact OD1-CZ 3.36Å
215K70.1Confident68.4Low149 Ų14973.7 Ų73.765%0.64838%0.38SS*.Hα-helixtrans-60.9-32.5170.2-73.4168.7-168.9161.60112.9D211 I212 R213D211-K215 VanDerWaalsContact O-CG 3.25Å; D211-K215 WeakPolarHBondContact O-CG 3.28Å; D211-K215 PolarHBondContact O-N 3.38Å; D211-K215 VanDerWaalsContact OD2-CE 3.24Å; D211-K215 WeakPolarHBondContact OD2-CE 3.42Å; D211-K215 IonicContact OD2-NZ 3.75Å; D211-K215 PolarHBondContact OD2-NZ 3.34Å; I212-K215 PolarHBondContact O-N 3.26Å; R213-K215 VanDerWaalsContact C-N 3.32Å
216L63.9Low67.5Low74 Ų7473.7 Ų73.739%0.38738%0.38SS..Hα-helixtrans-96-12.1-171.8-164.261.7000114.5N168 I212 R213 D214 L218N168-L216 HydrophobicContact CB-CD2 3.73Å; N168-L216 VanDerWaalsContact CG-CD2 3.43Å; I212-L216 VanDerWaalsContact O-CB 3.29Å; I212-L216 WeakPolarHBondContact O-CB 3.34Å; I212-L216 PolarHBondContact O-N 3.39Å; R213-L216 CarbonylContact O-C 3.52Å; R213-L216 PolarHBondContact O-N 2.86Å; D214-L216 PolarHBondContact O-N 3.2Å; L216-L218 HydrophobicContact CD2-CD1 3.9Å; L216-L218 HydrophobicContact CD2-CG 4.41Å; L216-L218 HydrophobicContact CG-CD1 4.41Å; L216-L218 HydrophobicContact CG-CG 4.38Å
217G62.1Low66.9Low50 Ų5079.7 Ų79.752%0.51540%0.402SS..THydrogen-bonded Turntrans76.120.9174.100000115.8R213 F219R213-G217 PolarHBondContact O-N 2.93Å; G217-F219 PolarHBondContact O-N 2.93Å
218L56.3Low66.5Low84 Ų8478 Ų7844%0.4439%0.393SS..  trans-86.686.5177.7-61.7175.7000111N168 R213 L216N168-L218 VanDerWaalsContact OD1-CD1 3.28Å; N168-L218 WeakPolarHBondContact OD1-CD1 3.42Å; R213-L218 WeakPolarHBondContact CD-O 3.35Å; R213-L218 HydrophobicContact CG-CB 4.16Å; R213-L218 WeakPolarHBondContact CG-O 3.14Å; L216-L218 HydrophobicContact CD2-CD1 3.9Å; L216-L218 HydrophobicContact CD2-CG 4.41Å; L216-L218 HydrophobicContact CG-CD1 4.41Å; L216-L218 HydrophobicContact CG-CG 4.38Å
219F53.1Low66Low133 Ų13375.9 Ų75.958%0.58338%0.384SS*.  trans-120.281179.9-71-86.4000111.7D214 G217D214-F219 WeakPolarHBondContact OD1-CZ 3.36Å; G217-F219 PolarHBondContact O-N 2.93Å
220E55.3Low65.7Low199 Ų19976.1 Ų76.193%0.9339%0.386SS*.SBendtrans-137.6-41.5166.1-75.3-71142.700115
221D54.1Low65.4Low139 Ų13976.6 Ų76.674%0.74339%0.392SS*.SBendtrans-137.5-33.9-171.3-160.144.6000116.1G223D221-G223 VanDerWaalsContact C-N 3.29Å; D221-G223 PolarHBondContact O-N 2.75Å
222D56.2Low65Low77 Ų7774.4 Ų74.441%0.41238%0.381SS..Hα-helixtrans-82-0.1-176.2-62.5-36.7000114.7R213 T225 L226R213-D222 PolarHBondContact NH1-O 3.21Å; D222-T225 WeakPolarHBondContact CA-OG1 3.46Å; D222-T225 PolarHBondContact O-OG1 3.32Å; D222-L226 WeakPolarHBondContact O-CG 3.28Å; D222-L226 PolarHBondContact O-N 3.47Å
223G60.4Low64.8Low35 Ų3573.1 Ų73.136%0.36138%0.375SS..Hα-helixtrans-60.9-46.7178.100000112.9D221 R227D221-G223 VanDerWaalsContact C-N 3.29Å; D221-G223 PolarHBondContact O-N 2.75Å; G223-R227 PolarHBondContact O-N 3.41Å
224E65.2Low64.6Low79 Ų7977.7 Ų77.737%0.36940%0.395SS..Hα-helixtrans-71.3-39-176-171.559.3-149.500111.9R227 K228E224-R227 PolarHBondContact O-N 3.43Å; E224-R227 IonicContact OE1-CZ 3.55Å; E224-R227 IonicContact OE1-NE 2.83Å; E224-R227 PolarHBondContact OE1-NE 3.19Å; E224-R227 IonicContact OE1-NH2 2.82Å; E224-R227 PolarHBondContact OE1-NH2 3.25Å; E224-R227 IonicContact OE2-CZ 3.15Å; E224-R227 IonicContact OE2-NE 3.52Å; E224-R227 PolarHBondContact OE2-NE 2.84Å; E224-R227 IonicContact OE2-NH2 2.7Å; E224-R227 PolarHBondContact OE2-NH2 3.43Å; E224-K228 HydrophobicContact CG-CD 4.41Å; E224-K228 VanDerWaalsContact O-CG 3.31Å; E224-K228 WeakPolarHBondContact O-CG 3.22Å; E224-K228 PolarHBondContact O-N 2.86Å
225T65.6Low63.7Low39 Ų3979.3 Ų79.324%0.23940%0.403CS..Hα-helixtrans-63.8-47.9176.854.10000110.4D222 R227 K228 I229D222-T225 WeakPolarHBondContact CA-OG1 3.46Å; D222-T225 PolarHBondContact O-OG1 3.32Å; T225-R227 VanDerWaalsContact C-N 3.29Å; T225-R227 PolarHBondContact O-N 2.93Å; T225-K228 PolarHBondContact O-N 3.17Å; T225-I229 VanDerWaalsContact O-CG1 3.23Å; T225-I229 WeakPolarHBondContact O-CG1 3.25Å; T225-I229 PolarHBondContact O-N 3.21Å
226L63.7Low62.9Low1 Ų172.3 Ų72.31%0.00537%0.373CS..Hα-helixtrans-63.2-33.4175.6-69.7-171.2000113.2I209 R213 D222 I229 A230I209-L226 HydrophobicContact CG2-CD1 3.71Å; R213-L226 VanDerWaalsContact NH1-CD1 3.34Å; D222-L226 WeakPolarHBondContact O-CG 3.28Å; D222-L226 PolarHBondContact O-N 3.47Å; L226-I229 HydrophobicContact CD2-CD1 4.24Å; L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 3.44Å
227R67.6Low62.1Low132 Ų13272.8 Ų72.850%0.49838%0.376SS..Hα-helixtrans-64.6-50.3172.9-175.3171.569.7179.66.8110.7G223 E224 T225 I229 A230 D231G223-R227 PolarHBondContact O-N 3.41Å; E224-R227 PolarHBondContact O-N 3.43Å; E224-R227 IonicContact OE1-CZ 3.55Å; E224-R227 IonicContact OE1-NE 2.83Å; E224-R227 PolarHBondContact OE1-NE 3.19Å; E224-R227 IonicContact OE1-NH2 2.82Å; E224-R227 PolarHBondContact OE1-NH2 3.25Å; E224-R227 IonicContact OE2-CZ 3.15Å; E224-R227 IonicContact OE2-NE 3.52Å; E224-R227 PolarHBondContact OE2-NE 2.84Å; E224-R227 IonicContact OE2-NH2 2.7Å; E224-R227 PolarHBondContact OE2-NH2 3.43Å; T225-R227 VanDerWaalsContact C-N 3.29Å; T225-R227 PolarHBondContact O-N 2.93Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.49Å; R227-A230 WeakPolarHBondContact O-CB 3.39Å; R227-A230 PolarHBondContact O-N 3.05Å; R227-A230 VanDerWaalsContact O-N 3.16Å; R227-D231 PolarHBondContact O-N 2.88Å
228K72.3Confident61.3Low104 Ų10473.8 Ų73.845%0.45238%0.375SS..Hα-helixtrans-60.6-36.8177-68.7171.5177.6172.90112.7E224 T225 D231 T232E224-K228 HydrophobicContact CG-CD 4.41Å; E224-K228 VanDerWaalsContact O-CG 3.31Å; E224-K228 WeakPolarHBondContact O-CG 3.22Å; E224-K228 PolarHBondContact O-N 2.86Å; T225-K228 PolarHBondContact O-N 3.17Å; K228-D231 PolarHBondContact O-N 2.81Å; K228-T232 WeakPolarHBondContact O-CB 3.48Å; K228-T232 PolarHBondContact O-N 3.21Å; K228-T232 PolarHBondContact O-OG1 3.27Å
229I69Low60.5Low0 Ų074.2 Ų74.20%038%0.384CS..Hα-helixtrans-64.7-49.1174.8-68.4163.4000110L178 Q182 I206 T225 L226 R227 D231 T232 F233L178-I229 HydrophobicContact CB-CD1 4.08Å; Q182-I229 HydrophobicContact CB-CD1 4.33Å; Q182-I229 HydrophobicContact CB-CG1 3.99Å; Q182-I229 HydrophobicContact CG-CG1 3.96Å; I206-I229 HydrophobicContact CD1-CG2 3.79Å; T225-I229 VanDerWaalsContact O-CG1 3.23Å; T225-I229 WeakPolarHBondContact O-CG1 3.25Å; T225-I229 PolarHBondContact O-N 3.21Å; L226-I229 HydrophobicContact CD2-CD1 4.24Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.49Å; I229-D231 VanDerWaalsContact C-N 3.27Å; I229-D231 PolarHBondContact O-N 3.42Å; I229-T232 WeakPolarHBondContact O-CB 3.24Å; I229-T232 PolarHBondContact O-N 2.73Å; I229-T232 VanDerWaalsContact O-N 3.12Å; I229-F233 HydrophobicContact CG2-CD2 3.86Å; I229-F233 HydrophobicContact CG2-CE2 3.46Å; I229-F233 VanDerWaalsContact CG2-CE2 3.46Å; I229-F233 WeakPolarHBondContact O-CD2 3.14Å; I229-F233 PolarHBondContact O-N 3.04Å; I229-F233 VanDerWaalsContact O-N 3.1Å
230A70.1Confident60Low7 Ų776.6 Ų76.66%0.05839%0.391CS..Hα-helixtrans-58.4-40.8175.700000111.9I206 L226 R227 T232 F233 K234I206-A230 HydrophobicContact CD1-CB 4.46Å; I206-A230 HydrophobicContact CG2-CB 4.18Å; L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 3.44Å; R227-A230 WeakPolarHBondContact O-CB 3.39Å; R227-A230 PolarHBondContact O-N 3.05Å; R227-A230 VanDerWaalsContact O-N 3.16Å; A230-T232 VanDerWaalsContact C-N 3.34Å; A230-F233 PolarHBondContact O-N 3.33Å; A230-K234 WeakPolarHBondContact O-CG 3.41Å; A230-K234 PolarHBondContact O-N 3.41Å
231D73.2Confident59.2Low76 Ų7670.7 Ų70.741%0.40638%0.376SS..Hα-helixtrans-68.3-34.5177.8-64.3-24.2000111.6R227 K228 I229 K234 L235R227-D231 PolarHBondContact O-N 2.88Å; K228-D231 PolarHBondContact O-N 2.81Å; I229-D231 VanDerWaalsContact C-N 3.27Å; I229-D231 PolarHBondContact O-N 3.42Å; D231-K234 PolarHBondContact O-N 3.48Å; D231-L235 WeakPolarHBondContact O-CB 3.42Å; D231-L235 PolarHBondContact O-N 2.82Å
232T70.5Confident58.3Low36 Ų3669 Ų6922%0.22137%0.37CS..Hα-helixtrans-62.9-42.7174.4-53.80000110.9F187 V191 K228 I229 A230 K234F187-T232 HydrophobicContact CD1-CG2 4.36Å; F187-T232 HydrophobicContact CE1-CG2 4.08Å; V191-T232 HydrophobicContact CG1-CG2 4.49Å; V191-T232 HydrophobicContact CG2-CG2 4.4Å; K228-T232 WeakPolarHBondContact O-CB 3.48Å; K228-T232 PolarHBondContact O-N 3.21Å; K228-T232 PolarHBondContact O-OG1 3.27Å; I229-T232 WeakPolarHBondContact O-CB 3.24Å; I229-T232 PolarHBondContact O-N 2.73Å; I229-T232 VanDerWaalsContact O-N 3.12Å; A230-T232 VanDerWaalsContact C-N 3.34Å; T232-K234 VanDerWaalsContact C-N 3.34Å; T232-K234 PolarHBondContact O-N 2.7Å
233F67.7Low57.3Low2 Ų271.7 Ų71.71%0.00939%0.385CS..Hα-helixtrans-66.8-33.6175-71.4-68.4000112.6F187 V191 L194 A202 I206 I229 A230 S236F187-F233 HydrophobicContact CZ-CE2 4.35Å; F187-F233 AromaticContact CZ-CZ 3.99Å; F187-F233 HydrophobicContact CZ-CZ 3.99Å; V191-F233 HydrophobicContact CB-CE1 4.47Å; V191-F233 HydrophobicContact CG1-CD1 3.67Å; V191-F233 HydrophobicContact CG1-CE1 4.02Å; V191-F233 HydrophobicContact CG1-CG 4.48Å; V191-F233 HydrophobicContact CG2-CD1 4.17Å; V191-F233 HydrophobicContact CG2-CE1 3.7Å; V191-F233 HydrophobicContact CG2-CZ 4.21Å; L194-F233 HydrophobicContact CD1-CD1 4.22Å; L194-F233 HydrophobicContact CD1-CE1 3.69Å; A202-F233 HydrophobicContact CB-CD1 3.99Å; A202-F233 HydrophobicContact CB-CD2 4.37Å; A202-F233 HydrophobicContact CB-CE1 3.8Å; A202-F233 HydrophobicContact CB-CE2 4.19Å; A202-F233 HydrophobicContact CB-CG 4.29Å; A202-F233 HydrophobicContact CB-CZ 3.91Å; I206-F233 HydrophobicContact CD1-CD2 3.55Å; I206-F233 HydrophobicContact CD1-CE2 3.77Å; I229-F233 HydrophobicContact CG2-CD2 3.86Å; I229-F233 HydrophobicContact CG2-CE2 3.46Å; I229-F233 VanDerWaalsContact CG2-CE2 3.46Å; I229-F233 WeakPolarHBondContact O-CD2 3.14Å; I229-F233 PolarHBondContact O-N 3.04Å; I229-F233 VanDerWaalsContact O-N 3.1Å; A230-F233 PolarHBondContact O-N 3.33Å; F233-S236 PolarHBondContact O-OG 3.06Å
234K67.1Low56.1Low129 Ų12978 Ų7856%0.56141%0.41SS*.Hα-helixtrans-73.1-43.2175.6-74-178.4177.8-176.70114H203 A230 D231 T232 S236 N237H203-K234 WeakPolarHBondContact NE2-CG 3.29Å; A230-K234 WeakPolarHBondContact O-CG 3.41Å; A230-K234 PolarHBondContact O-N 3.41Å; D231-K234 PolarHBondContact O-N 3.48Å; T232-K234 VanDerWaalsContact C-N 3.34Å; T232-K234 PolarHBondContact O-N 2.7Å; K234-S236 PolarHBondContact O-N 2.93Å; K234-N237 PolarHBondContact O-N 3.42Å; K234-N237 VanDerWaalsContact O-N 3.17Å
235L54.5Low54.9Low120 Ų12079.4 Ų79.463%0.62842%0.424SS*.Hα-helixtrans-66.3-29-171.9-156.473.4000111.9D231 N237 S238D231-L235 WeakPolarHBondContact O-CB 3.42Å; D231-L235 PolarHBondContact O-N 2.82Å; L235-N237 PolarHBondContact O-N 3.4Å; L235-S238 WeakPolarHBondContact O-CB 3.37Å; L235-S238 PolarHBondContact O-N 3.27Å
236S52.4Low53.5Low3 Ų383.3 Ų83.32%0.02145%0.453CS..Hα-helixtrans-59.9-24.4175.872.70000113.7D192 K199 F233 K234D192-S236 WeakPolarHBondContact OD1-CB 3.32Å; K199-S236 WeakPolarHBondContact CE-OG 3.14Å; K199-S236 PolarHBondContact NZ-OG 3.46Å; F233-S236 PolarHBondContact O-OG 3.06Å; K234-S236 PolarHBondContact O-N 2.93Å
237N48.1Very low52.1Low83 Ų8386.9 Ų86.944%0.44448%0.478SS..Hα-helixtrans-80.7-20.9173.6-73.81.4000112.6K199 K234 L235K199-N237 PolarHBondContact NZ-OD1 3.48Å; K234-N237 PolarHBondContact O-N 3.42Å; K234-N237 VanDerWaalsContact O-N 3.17Å; L235-N237 PolarHBondContact O-N 3.4Å
238S44.4Very low50.9Low71 Ų7191.8 Ų91.850%0.49750%0.498SS..Hα-helixtrans-77-27.1179.4-168.60000112.7L235 Y240 A241L235-S238 WeakPolarHBondContact O-CB 3.37Å; L235-S238 PolarHBondContact O-N 3.27Å; S238-Y240 PolarHBondContact O-N 3.37Å; S238-A241 PolarHBondContact O-N 3.05Å
239C39.1Very low49.6Very low94 Ų9496.7 Ų96.764%0.63554%0.536SS*.THydrogen-bonded Turntrans-72.5-13179.2-68.60000113.6
240Y43.7Very low48.6Very low183 Ų183101.6 Ų101.672%0.71856%0.563SS**THydrogen-bonded Turntrans-107.94.5174.2-66.5-74.6000113.6S238S238-Y240 PolarHBondContact O-N 3.37Å
241A38.2Very low47.5Very low74 Ų74106.5 Ų106.561%0.61259%0.59SS**SBendtrans-9412.8177.700000114S238S238-A241 PolarHBondContact O-N 3.05Å
242V35.1Very low46.1Very low103 Ų103108.2 Ų108.262%0.62460%0.6SS**SBendtrans-140.998.4174.4-167.60000104.2
243D36.2Very low44.6Very low135 Ų135112.5 Ų112.572%0.72262%0.622SS**  cis-146.789.844.5-70.6-57.3000110.5V245D243-V245 PolarHBondContact O-N 2.93Å
244D35.1Very low43.2Very low167 Ų167119.4 Ų119.489%0.89366%0.661SS**  trans-85.667.3154.3-142.2-1.9000107.1
245V38.5Very low41.6Very low109 Ų109118.7 Ų118.766%0.66167%0.667SS**  trans-114.985.6166.9-172.80000107.8D243 S247D243-V245 PolarHBondContact O-N 2.93Å; V245-S247 VanDerWaalsContact C-N 3.27Å; V245-S247 PolarHBondContact O-N 3.24Å
246S36Very low40.7Very low120 Ų120118.6 Ų118.684%0.83967%0.67SS**  trans-29.493135.4168.60000111.5
247S35.8Very low39.8Very low77 Ų77127.5 Ų127.554%0.53872%0.72SS.*  trans-168.873.2155.1173.40000109.9V245V245-S247 VanDerWaalsContact C-N 3.27Å; V245-S247 PolarHBondContact O-N 3.24Å
248Y41.8Very low39.1Very low234 Ų234131.3 Ų131.392%0.91874%0.743SS**  -14692.3127.1-92.4-74.1000106.9
249V45.3Very low38.6Very low208 Ų208136.7 Ų136.7100%1.26177%0.765SS**  trans-45.60151.1174.60000109.9

Retrieved 249 of 249 residues in 158.3 ms (Link to these results)