A0A087YID0_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087YID0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 647 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
1M43.8Very low62.6Low240 Ų240166.1 Ų166.1100%1.18278%0.783SS**  0131.70-69.2171.917000109.4R3M1-R3 PolarHBondContact O-N 3.26Å
2K47Very low64.9Low211 Ų211160.2 Ų160.292%0.91777%0.769SS**  trans-87.598.9176.6-65.6-175.5-178.1-179.10109.8K4K2-K4 PolarHBondContact O-N 3.05Å
3R54.6Low66.8Low236 Ų236158.2 Ų158.289%0.89177%0.765SS**  trans-67.5113172.3-72.9-177.1176.5169.3-0.8108.7M1 V5M1-R3 PolarHBondContact O-N 3.26Å; R3-V5 PolarHBondContact O-N 3Å
4K53.3Low68.5Low206 Ų206154 Ų15490%0.89674%0.744SS**  trans-7095.8168.1-69.6-177.4-178.8178.80107.8K2 S6K2-K4 PolarHBondContact O-N 3.05Å; K4-S6 PolarHBondContact O-N 3.23Å; K4-S6 VanDerWaalsContact O-N 3.11Å
5V57.8Low69.8Low131 Ų131149.5 Ų149.579%0.79472%0.721SS**  trans-67.6108.5166.5-176.20000106.4R3 K7R3-V5 PolarHBondContact O-N 3Å; V5-K7 PolarHBondContact O-N 3.22Å
6S57.5Low71Confident84 Ų84142.7 Ų142.759%0.58770%0.697SS**  trans-58.2131.6169.637.10000108.2K4 L8K4-S6 PolarHBondContact O-N 3.23Å; K4-S6 VanDerWaalsContact O-N 3.11Å; S6-L8 PolarHBondContact O-N 3.12Å
7K63.7Low72.3Confident200 Ų200143.6 Ų143.687%0.8769%0.691SS**  trans-7088.1168.3-69.8-176.3179.1-178.10107.1V5 R9V5-K7 PolarHBondContact O-N 3.22Å; K7-R9 PolarHBondContact O-N 3.35Å
8L67.7Low73.4Confident161 Ų161140.4 Ų140.484%0.84368%0.677SS**  trans-57.5102168.6-69.3171.4000107S6S6-L8 PolarHBondContact O-N 3.12Å
9R76.6Confident74.5Confident225 Ų225138.4 Ų138.485%0.84967%0.669SS**PPolyproline II helixtrans-78.9136.4162.3-76.3-175.1162.8168.7-6.6106.8K7K7-R9 PolarHBondContact O-N 3.35Å
10L80.3Confident75.5Confident83 Ų83140.8 Ų140.844%0.43567%0.671SS.*PPolyproline II helixtrans-62.2153.3169.1-73.6149.1000108.2E14 E15 I18L10-E14 HydrophobicContact CB-CB 4.2Å; L10-E14 HydrophobicContact CD2-CB 4.02Å; L10-E15 HydrophobicContact CB-CG 3.44Å; L10-E15 VanDerWaalsContact CB-CG 3.44Å; L10-E15 HydrophobicContact CD1-CG 4.23Å; L10-E15 HydrophobicContact CG-CG 4.47Å; L10-I18 HydrophobicContact CD1-CD1 4.02Å; L10-I18 HydrophobicContact CD2-CD1 4.21Å
11S86.6Confident76.5Confident50 Ų50138.9 Ų138.935%0.3566%0.661SS.*PPolyproline II helixtrans-61142.4167.6177.70000109N13 E14 E15S11-N13 PolarHBondContact O-N 3.14Å; S11-E14 WeakPolarHBondContact CB-OE2 3.28Å; S11-E14 PolarHBondContact N-OE2 2.96Å; S11-E14 WeakPolarHBondContact O-CA 3.35Å; S11-E14 WeakPolarHBondContact O-CB 3.47Å; S11-E14 PolarHBondContact O-N 3.09Å; S11-E15 PolarHBondContact O-N 3.01Å
12P90Very high79Confident95 Ų95130.4 Ų130.462%0.61762%0.619SS**Hα-helixtrans-52.7-28.2175.4-28.836.3000113.6A16P12-A16 WeakPolarHBondContact O-CB 3.43Å; P12-A16 PolarHBondContact O-N 3.15Å
13N89.8Confident81.3Confident134 Ų134125.3 Ų125.372%0.71760%0.601SS**Hα-helixtrans-71.7-33.8174.5-66-10.6000112.8S11 R17S11-N13 PolarHBondContact O-N 3.14Å; N13-R17 VanDerWaalsContact O-CB 3.25Å; N13-R17 WeakPolarHBondContact O-CB 3.37Å; N13-R17 PolarHBondContact O-N 3.06Å
14E89.7Confident83.3Confident100 Ų100117.1 Ų117.147%0.46758%0.575SS.*Hα-helixtrans-74.5-42.7174.3-63.9168.4151.300110.6L10 S11 R17 I18L10-E14 HydrophobicContact CB-CB 4.2Å; L10-E14 HydrophobicContact CD2-CB 4.02Å; S11-E14 WeakPolarHBondContact CB-OE2 3.28Å; S11-E14 PolarHBondContact N-OE2 2.96Å; S11-E14 WeakPolarHBondContact O-CA 3.35Å; S11-E14 WeakPolarHBondContact O-CB 3.47Å; S11-E14 PolarHBondContact O-N 3.09Å; E14-R17 PolarHBondContact O-N 3.24Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.34Å; E14-I18 PolarHBondContact O-N 3.32Å
15E88.2Confident85.4Confident87 Ų87115 Ų11541%0.40756%0.561SS.*Hα-helixtrans-59.9-48.7173.8-62.8-170.9160.400110.8L10 S11 R17 I18 I19L10-E15 HydrophobicContact CB-CG 3.44Å; L10-E15 VanDerWaalsContact CB-CG 3.44Å; L10-E15 HydrophobicContact CD1-CG 4.23Å; L10-E15 HydrophobicContact CG-CG 4.47Å; S11-E15 PolarHBondContact O-N 3.01Å; E15-R17 VanDerWaalsContact C-N 3.3Å; E15-R17 PolarHBondContact O-N 3.19Å; E15-I18 PolarHBondContact O-N 2.98Å; E15-I19 WeakPolarHBondContact O-CB 3.31Å; E15-I19 WeakPolarHBondContact O-CD1 3.43Å; E15-I19 VanDerWaalsContact O-CG1 3.23Å; E15-I19 WeakPolarHBondContact O-CG1 3.22Å; E15-I19 PolarHBondContact O-N 3.31Å
16A90.2Very high87.3Confident40 Ų40116 Ų11633%0.33155%0.551SS.*Hα-helixtrans-61.5-36.2175.700000112.8P12 R20P12-A16 WeakPolarHBondContact O-CB 3.43Å; P12-A16 PolarHBondContact O-N 3.15Å; A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.29Å; A16-R20 PolarHBondContact O-N 2.8Å
17R92.7Very high89.2Confident159 Ų159119.7 Ų119.760%0.655%0.552SS**Hα-helixtrans-65.8-49.3174.8178177.7173.3170.40.3111.7N13 E14 E15 I19 R20 E21N13-R17 VanDerWaalsContact O-CB 3.25Å; N13-R17 WeakPolarHBondContact O-CB 3.37Å; N13-R17 PolarHBondContact O-N 3.06Å; E14-R17 PolarHBondContact O-N 3.24Å; E15-R17 VanDerWaalsContact C-N 3.3Å; E15-R17 PolarHBondContact O-N 3.19Å; R17-I19 VanDerWaalsContact C-N 3.29Å; R17-I19 PolarHBondContact O-N 3.12Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 3.33Å; R17-R20 VanDerWaalsContact O-N 3.14Å; R17-E21 HydrophobicContact CG-CG 4.45Å; R17-E21 IonicContact CZ-OE1 3.94Å; R17-E21 VanDerWaalsContact CZ-OE1 3.3Å; R17-E21 IonicContact NE-OE1 2.75Å; R17-E21 PolarHBondContact NE-OE1 3.42Å; R17-E21 IonicContact NH2-OE1 3.72Å; R17-E21 PolarHBondContact NH2-OE1 2.93Å; R17-E21 WeakPolarHBondContact O-CG 3.25Å; R17-E21 PolarHBondContact O-N 3.15Å
18I92.4Very high90.8Very high86 Ų86116.1 Ų116.144%0.44154%0.536SS..Hα-helixtrans-61-40.4178.7-68.2162.8000110.6L10 E14 E15 E21 E22L10-I18 HydrophobicContact CD1-CD1 4.02Å; L10-I18 HydrophobicContact CD2-CD1 4.21Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.34Å; E14-I18 PolarHBondContact O-N 3.32Å; E15-I18 PolarHBondContact O-N 2.98Å; I18-E21 PolarHBondContact O-N 3.31Å; I18-E22 WeakPolarHBondContact O-CB 3.47Å; I18-E22 PolarHBondContact O-N 3.15Å
19I93.7Very high92.3Very high102 Ų102112.7 Ų112.752%0.52352%0.518SS..Hα-helixtrans-61.4-44.6174.8-69.8163.8000111.1E15 R17 L23E15-I19 WeakPolarHBondContact O-CB 3.31Å; E15-I19 WeakPolarHBondContact O-CD1 3.43Å; E15-I19 VanDerWaalsContact O-CG1 3.23Å; E15-I19 WeakPolarHBondContact O-CG1 3.22Å; E15-I19 PolarHBondContact O-N 3.31Å; R17-I19 VanDerWaalsContact C-N 3.29Å; R17-I19 PolarHBondContact O-N 3.12Å; I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.46Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 2.89Å
20R94.6Very high93.3Very high186 Ų186108.6 Ų108.670%0.70250%0.503SS*.Hα-helixtrans-62.8-47.4175.9-73170.7-176.2-170.91.9112A16 R17 E22 L23 D24A16-R20 VanDerWaalsContact O-CG 3.29Å; A16-R20 WeakPolarHBondContact O-CG 3.29Å; A16-R20 PolarHBondContact O-N 2.8Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 3.33Å; R17-R20 VanDerWaalsContact O-N 3.14Å; R20-E22 VanDerWaalsContact C-N 3.35Å; R20-E22 PolarHBondContact O-N 2.84Å; R20-L23 PolarHBondContact O-N 2.88Å; R20-D24 PolarHBondContact O-N 2.69Å
21E95.9Very high94.1Very high100 Ų100108.1 Ų108.147%0.46750%0.5SS..Hα-helixtrans-62.4-39.4-179.7-71.9177.3-18000112R17 I18 R25R17-E21 HydrophobicContact CG-CG 4.45Å; R17-E21 IonicContact CZ-OE1 3.94Å; R17-E21 VanDerWaalsContact CZ-OE1 3.3Å; R17-E21 IonicContact NE-OE1 2.75Å; R17-E21 PolarHBondContact NE-OE1 3.42Å; R17-E21 IonicContact NH2-OE1 3.72Å; R17-E21 PolarHBondContact NH2-OE1 2.93Å; R17-E21 WeakPolarHBondContact O-CG 3.25Å; R17-E21 PolarHBondContact O-N 3.15Å; I18-E21 PolarHBondContact O-N 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 PolarHBondContact O-N 3.45Å
22E95.9Very high94.7Very high62 Ų62110.6 Ų110.629%0.2951%0.506SS..Hα-helixtrans-72.9-36.3175.5176.261.8-173.300112.9I18 R20 R25 R26I18-E22 WeakPolarHBondContact O-CB 3.47Å; I18-E22 PolarHBondContact O-N 3.15Å; R20-E22 VanDerWaalsContact C-N 3.35Å; R20-E22 PolarHBondContact O-N 2.84Å; E22-R25 WeakPolarHBondContact O-CB 3.48Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-R25 WeakPolarHBondContact OE2-CD 3.11Å; E22-R25 IonicContact OE2-NH1 2.64Å; E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.33Å; E22-R26 PolarHBondContact O-N 2.72Å; E22-R26 IonicContact OE1-CZ 3.18Å; E22-R26 IonicContact OE1-NE 3.57Å; E22-R26 PolarHBondContact OE1-NE 3.03Å; E22-R26 IonicContact OE1-NH2 2.76Å; E22-R26 PolarHBondContact OE1-NH2 3.42Å
23L96.4Very high95Very high105 Ų105110.3 Ų110.355%0.5550%0.497SS..Hα-helixtrans-62.9-44.3171.1-76.2171000111.3I19 R20 R25 R26 R27I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.46Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 2.89Å; R20-L23 PolarHBondContact O-N 2.88Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 3.31Å; L23-R26 PolarHBondContact O-N 3.46Å; L23-R27 WeakPolarHBondContact O-CB 3.42Å; L23-R27 PolarHBondContact O-N 3.45Å
24D96.7Very high95.4Very high64 Ų64106.4 Ų106.434%0.34248%0.477SS..Hα-helixtrans-65.9-35.7175-103.3-22.3000112.1R20 R27 K28R20-D24 PolarHBondContact O-N 2.69Å; D24-R27 PolarHBondContact O-N 2.96Å; D24-R27 IonicContact OD1-NH1 2.67Å; D24-K28 WeakPolarHBondContact O-CB 3.35Å; D24-K28 WeakPolarHBondContact O-CD 3.28Å; D24-K28 WeakPolarHBondContact O-CG 3.26Å; D24-K28 PolarHBondContact O-N 3.11Å
25R97.6Very high95.8Very high161 Ų161109 Ų10961%0.60848%0.483SS*.Hα-helixtrans-61.1-47.5173-168.4-174.9-169-175.94.7111.2E21 E22 L23 K28 L29E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 PolarHBondContact O-N 3.45Å; E22-R25 WeakPolarHBondContact O-CB 3.48Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-R25 WeakPolarHBondContact OE2-CD 3.11Å; E22-R25 IonicContact OE2-NH1 2.64Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 3.31Å; R25-K28 PolarHBondContact O-N 2.98Å; R25-L29 HydrophobicContact CG-CD1 4.35Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.37Å
26R97.1Very high96.3Very high151 Ų151109.7 Ų109.757%0.5749%0.486SS*.Hα-helixtrans-63.2-41.2175.6-69.8171.7-170.1-166.65.2112E22 L23 L29 R30E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.33Å; E22-R26 PolarHBondContact O-N 2.72Å; E22-R26 IonicContact OE1-CZ 3.18Å; E22-R26 IonicContact OE1-NE 3.57Å; E22-R26 PolarHBondContact OE1-NE 3.03Å; E22-R26 IonicContact OE1-NH2 2.76Å; E22-R26 PolarHBondContact OE1-NH2 3.42Å; L23-R26 PolarHBondContact O-N 3.46Å; R26-L29 PolarHBondContact O-N 2.88Å; R26-R30 WeakPolarHBondContact O-CB 3.49Å; R26-R30 PolarHBondContact O-N 2.92Å
27R97.5Very high96.7Very high162 Ų162112.2 Ų112.261%0.61149%0.491SS*.Hα-helixtrans-61.2-46.5174.7-176.2-179.6175.7-141.12.2111.6L23 D24 R30 I31L23-R27 WeakPolarHBondContact O-CB 3.42Å; L23-R27 PolarHBondContact O-N 3.45Å; D24-R27 PolarHBondContact O-N 2.96Å; D24-R27 IonicContact OD1-NH1 2.67Å; R27-R30 PolarHBondContact O-N 3.39Å; R27-I31 HydrophobicContact CG-CD1 4Å; R27-I31 VanDerWaalsContact O-CG1 3.28Å; R27-I31 WeakPolarHBondContact O-CG1 3.44Å; R27-I31 PolarHBondContact O-N 2.91Å
28K97.9Very high96.9Very high126 Ų126110.2 Ų110.255%0.54849%0.488SS..Hα-helixtrans-61.2-47.8176.4-72.2161-170.4169.40111.4D24 R25 R30 I31 Q32D24-K28 WeakPolarHBondContact O-CB 3.35Å; D24-K28 WeakPolarHBondContact O-CD 3.28Å; D24-K28 WeakPolarHBondContact O-CG 3.26Å; D24-K28 PolarHBondContact O-N 3.11Å; R25-K28 PolarHBondContact O-N 2.98Å; K28-R30 PolarHBondContact O-N 3.41Å; K28-I31 PolarHBondContact O-N 2.89Å; K28-Q32 WeakPolarHBondContact O-CG 3.44Å; K28-Q32 PolarHBondContact O-N 3.15Å
29L97.7Very high97.2Very high88 Ų88114.3 Ų114.346%0.46150%0.498SS..Hα-helixtrans-59.6-42.7174.9-72.9167.4000112.2R25 R26 Q32 Q33R25-L29 HydrophobicContact CG-CD1 4.35Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.37Å; R26-L29 PolarHBondContact O-N 2.88Å; L29-Q32 WeakPolarHBondContact O-CB 3.48Å; L29-Q32 PolarHBondContact O-N 3.32Å; L29-Q33 WeakPolarHBondContact O-CG 3.34Å; L29-Q33 PolarHBondContact O-N 3.31Å
30R97.9Very high97.4Very high140 Ų140115.3 Ų115.353%0.52850%0.501SS..Hα-helixtrans-67.2-37.4178.3-172.155.4173.4176.60.9112.4R26 R27 K28 Q33 V34R26-R30 WeakPolarHBondContact O-CB 3.49Å; R26-R30 PolarHBondContact O-N 2.92Å; R27-R30 PolarHBondContact O-N 3.39Å; K28-R30 PolarHBondContact O-N 3.41Å; R30-Q33 PolarHBondContact O-N 2.92Å; R30-V34 WeakPolarHBondContact O-CG2 3.32Å; R30-V34 PolarHBondContact O-N 3.29Å
31I97.8Very high97.6Very high72 Ų72110.7 Ų110.737%0.36949%0.489SS..Hα-helixtrans-66.6-37.4173.8-69.4165.4000111R27 K28 R35R27-I31 HydrophobicContact CG-CD1 4Å; R27-I31 VanDerWaalsContact O-CG1 3.28Å; R27-I31 WeakPolarHBondContact O-CG1 3.44Å; R27-I31 PolarHBondContact O-N 2.91Å; K28-I31 PolarHBondContact O-N 2.89Å; I31-R35 HydrophobicContact CG2-CG 4.49Å; I31-R35 WeakPolarHBondContact O-CB 3.49Å; I31-R35 VanDerWaalsContact O-CG 3.24Å; I31-R35 WeakPolarHBondContact O-CG 3.35Å; I31-R35 PolarHBondContact O-N 3.44Å
32Q97.9Very high97.7Very high102 Ų102108 Ų10848%0.47748%0.483SS..Hα-helixtrans-62.5-50.8173.1-73.7167.3-29.900111.3K28 L29 V34 R35 E36K28-Q32 WeakPolarHBondContact O-CG 3.44Å; K28-Q32 PolarHBondContact O-N 3.15Å; L29-Q32 WeakPolarHBondContact O-CB 3.48Å; L29-Q32 PolarHBondContact O-N 3.32Å; Q32-V34 PolarHBondContact O-N 2.98Å; Q32-R35 PolarHBondContact O-N 3.25Å; Q32-R35 VanDerWaalsContact O-N 3.15Å; Q32-E36 WeakPolarHBondContact O-CG 3.23Å; Q32-E36 PolarHBondContact O-N 2.88Å
33Q98.1Very high97.8Very high90 Ų90109.1 Ų109.142%0.42149%0.491SS..Hα-helixtrans-54.1-47.7174.7-71.9174.2-4.600112.6L29 R30 R35 E36 Q37L29-Q33 WeakPolarHBondContact O-CG 3.34Å; L29-Q33 PolarHBondContact O-N 3.31Å; R30-Q33 PolarHBondContact O-N 2.92Å; Q33-R35 PolarHBondContact O-N 2.8Å; Q33-E36 PolarHBondContact O-N 3.29Å; Q33-Q37 WeakPolarHBondContact O-CB 3.31Å; Q33-Q37 WeakPolarHBondContact O-CG 3.47Å; Q33-Q37 PolarHBondContact O-N 2.85Å
34V98.4Very high97.9Very high51 Ų51109.5 Ų109.531%0.30949%0.49SS..Hα-helixtrans-64.9-39.3179.7169.70000111.2R30 Q32 E36 Q37 Q38R30-V34 WeakPolarHBondContact O-CG2 3.32Å; R30-V34 PolarHBondContact O-N 3.29Å; Q32-V34 PolarHBondContact O-N 2.98Å; V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 PolarHBondContact O-N 3.29Å; V34-Q37 PolarHBondContact O-N 2.79Å; V34-Q38 HydrophobicContact CG1-CG 4.33Å; V34-Q38 VanDerWaalsContact O-CB 3.3Å; V34-Q38 WeakPolarHBondContact O-CB 3.11Å; V34-Q38 WeakPolarHBondContact O-CG 3.39Å; V34-Q38 PolarHBondContact O-N 3.37Å
35R97.9Very high98Very high155 Ų155111 Ų11159%0.58550%0.497SS*.Hα-helixtrans-64.9-36.8174.4-75171.2174.8-171-2.5112.5I31 Q32 Q33 R39I31-R35 HydrophobicContact CG2-CG 4.49Å; I31-R35 WeakPolarHBondContact O-CB 3.49Å; I31-R35 VanDerWaalsContact O-CG 3.24Å; I31-R35 WeakPolarHBondContact O-CG 3.35Å; I31-R35 PolarHBondContact O-N 3.44Å; Q32-R35 PolarHBondContact O-N 3.25Å; Q32-R35 VanDerWaalsContact O-N 3.15Å; Q33-R35 PolarHBondContact O-N 2.8Å; R35-R39 WeakPolarHBondContact O-CB 3.36Å; R35-R39 WeakPolarHBondContact O-CD 3.45Å; R35-R39 WeakPolarHBondContact O-CG 3.35Å; R35-R39 PolarHBondContact O-N 3.39Å
36E98Very high98Very high101 Ų101111 Ų11147%0.47250%0.497SS..Hα-helixtrans-69.3-44.6176-74164.5-17000111.7Q32 Q33 V34 R39 Q40Q32-E36 WeakPolarHBondContact O-CG 3.23Å; Q32-E36 PolarHBondContact O-N 2.88Å; Q33-E36 PolarHBondContact O-N 3.29Å; V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 PolarHBondContact O-N 3.29Å; E36-R39 WeakPolarHBondContact O-CB 3.47Å; E36-R39 PolarHBondContact O-N 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.42Å
37Q98.1Very high98.1Very high93 Ų93110.7 Ų110.744%0.43550%0.496SS..Hα-helixtrans-60.2-46.2172.7-72.1175-24.900111.4Q33 V34 R39 Q40 I41Q33-Q37 WeakPolarHBondContact O-CB 3.31Å; Q33-Q37 WeakPolarHBondContact O-CG 3.47Å; Q33-Q37 PolarHBondContact O-N 2.85Å; V34-Q37 PolarHBondContact O-N 2.79Å; Q37-R39 VanDerWaalsContact C-N 3.33Å; Q37-R39 PolarHBondContact O-N 3.4Å; Q37-Q40 PolarHBondContact O-N 2.93Å; Q37-I41 WeakPolarHBondContact O-CB 3.19Å; Q37-I41 VanDerWaalsContact O-CG1 3.27Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 2.92Å
38Q97.6Very high98.2Very high117 Ų117107.1 Ų107.155%0.54749%0.486SS..Hα-helixtrans-60.2-39.7175.4-76.5171-18.600112.4V34 A42V34-Q38 HydrophobicContact CG1-CG 4.33Å; V34-Q38 VanDerWaalsContact O-CB 3.3Å; V34-Q38 WeakPolarHBondContact O-CB 3.11Å; V34-Q38 WeakPolarHBondContact O-CG 3.39Å; V34-Q38 PolarHBondContact O-N 3.37Å; Q38-A42 WeakPolarHBondContact O-CB 3.43Å; Q38-A42 PolarHBondContact O-N 2.84Å
39R98.3Very high98.2Very high173 Ų173105.2 Ų105.265%0.65349%0.485SS*.Hα-helixtrans-62.7-45.3173.4-75.9164.2174.1-175.7-4.3111.8R35 E36 Q37 A42 L43R35-R39 WeakPolarHBondContact O-CB 3.36Å; R35-R39 WeakPolarHBondContact O-CD 3.45Å; R35-R39 WeakPolarHBondContact O-CG 3.35Å; R35-R39 PolarHBondContact O-N 3.39Å; E36-R39 WeakPolarHBondContact O-CB 3.47Å; E36-R39 PolarHBondContact O-N 3.3Å; Q37-R39 VanDerWaalsContact C-N 3.33Å; Q37-R39 PolarHBondContact O-N 3.4Å; R39-A42 PolarHBondContact O-N 3.5Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 3.22Å
40Q98.4Very high98.2Very high123 Ų123106 Ų10658%0.57549%0.486SS*.Hα-helixtrans-63.7-47.2178.4-70.5172.33.100111.7E36 Q37 L43 Q44E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.42Å; Q37-Q40 PolarHBondContact O-N 2.93Å; Q40-L43 PolarHBondContact O-N 2.9Å; Q40-Q44 WeakPolarHBondContact O-CG 3.16Å; Q40-Q44 PolarHBondContact O-N 3.21Å
41I98.3Very high98.3Very high89 Ų89106.9 Ų106.946%0.45649%0.49SS..Hα-helixtrans-62.1-44.8177.3-67.5163.8000110.8Q37 L43 Q44 I45Q37-I41 WeakPolarHBondContact O-CB 3.19Å; Q37-I41 VanDerWaalsContact O-CG1 3.27Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 2.92Å; I41-L43 VanDerWaalsContact C-N 3.3Å; I41-L43 PolarHBondContact O-N 3.43Å; I41-Q44 WeakPolarHBondContact O-CB 3.46Å; I41-Q44 PolarHBondContact O-N 2.87Å; I41-Q44 VanDerWaalsContact O-N 3.17Å; I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.36Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 3.27Å
42A98.4Very high98.3Very high42 Ų42109.8 Ų109.835%0.34750%0.496SS..Hα-helixtrans-62.8-35.5177.100000112.8Q38 R39 R46Q38-A42 WeakPolarHBondContact O-CB 3.43Å; Q38-A42 PolarHBondContact O-N 2.84Å; R39-A42 PolarHBondContact O-N 3.5Å; A42-R46 VanDerWaalsContact O-CG 3.26Å; A42-R46 WeakPolarHBondContact O-CG 3.4Å; A42-R46 PolarHBondContact O-N 2.78Å; A42-R46 VanDerWaalsContact O-N 3.1Å
43L98.4Very high98.3Very high87 Ų87112.9 Ų112.946%0.45550%0.503SS..Hα-helixtrans-71.4-34.9173.8-71.8170.6000112.6R39 Q40 I41 R47R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 3.22Å; Q40-L43 PolarHBondContact O-N 2.9Å; I41-L43 VanDerWaalsContact C-N 3.3Å; I41-L43 PolarHBondContact O-N 3.43Å; L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 WeakPolarHBondContact O-CD 3.19Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.37Å
44Q98.6Very high98.3Very high112 Ų112113.5 Ų113.552%0.52351%0.506SS..Hα-helixtrans-64.4-51172.6-73.1167.3-21.900110.9Q40 I41 R46 R47 E48Q40-Q44 WeakPolarHBondContact O-CG 3.16Å; Q40-Q44 PolarHBondContact O-N 3.21Å; I41-Q44 WeakPolarHBondContact O-CB 3.46Å; I41-Q44 PolarHBondContact O-N 2.87Å; I41-Q44 VanDerWaalsContact O-N 3.17Å; Q44-R46 VanDerWaalsContact C-N 3.35Å; Q44-R46 PolarHBondContact O-N 2.89Å; Q44-R47 PolarHBondContact O-N 3.04Å; Q44-E48 PolarHBondContact O-N 3.3Å
45I98.4Very high98.3Very high95 Ų95116.5 Ų116.549%0.48752%0.517SS..Hα-helixtrans-57.7-45.1179-67.5167.7000111.4I41 R47 E48 V49I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.36Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 3.27Å; I45-R47 PolarHBondContact O-N 2.86Å; I45-E48 PolarHBondContact O-N 3.43Å; I45-V49 HydrophobicContact CG2-CG2 4.42Å; I45-V49 WeakPolarHBondContact O-CG2 3.34Å; I45-V49 PolarHBondContact O-N 2.84Å
46R98.4Very high98.4Very high162 Ų162114.4 Ų114.461%0.61151%0.514SS*.Hα-helixtrans-57.5-50.6175.9-75.1172.2-174.1-1650.5111.8A42 Q44 E48 V49 E50A42-R46 VanDerWaalsContact O-CG 3.26Å; A42-R46 WeakPolarHBondContact O-CG 3.4Å; A42-R46 PolarHBondContact O-N 2.78Å; A42-R46 VanDerWaalsContact O-N 3.1Å; Q44-R46 VanDerWaalsContact C-N 3.35Å; Q44-R46 PolarHBondContact O-N 2.89Å; R46-E48 VanDerWaalsContact C-N 3.29Å; R46-E48 PolarHBondContact O-N 2.72Å; R46-V49 PolarHBondContact O-N 3.28Å; R46-E50 WeakPolarHBondContact O-CB 3.41Å; R46-E50 WeakPolarHBondContact O-CG 3.31Å; R46-E50 PolarHBondContact O-N 3.19Å
47R98.5Very high98.4Very high145 Ų145113.5 Ų113.555%0.54751%0.512SS..Hα-helixtrans-62.3-33.9178.3-71.3168.2175.9177.7-2.6113L43 Q44 I45 R51L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 WeakPolarHBondContact O-CD 3.19Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.38Å; L43-R47 PolarHBondContact O-N 3.37Å; Q44-R47 PolarHBondContact O-N 3.04Å; I45-R47 PolarHBondContact O-N 2.86Å; R47-R51 WeakPolarHBondContact O-CB 3.42Å; R47-R51 VanDerWaalsContact O-CD 3.32Å; R47-R51 WeakPolarHBondContact O-CD 3.45Å; R47-R51 WeakPolarHBondContact O-CG 3.5Å; R47-R51 PolarHBondContact O-N 3.11Å
48E98.7Very high98.4Very high86 Ų86115.9 Ų115.940%0.40252%0.517SS..Hα-helixtrans-70.2-44.3174.1-78-173.1-139.500112.6Q44 I45 R46 E50 R51 R52Q44-E48 PolarHBondContact O-N 3.3Å; I45-E48 PolarHBondContact O-N 3.43Å; R46-E48 VanDerWaalsContact C-N 3.29Å; R46-E48 PolarHBondContact O-N 2.72Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E48-R51 PolarHBondContact O-N 3.14Å; E48-R52 VanDerWaalsContact O-CG 3.29Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE2-CZ 2.76Å; E48-R52 IonicContact OE2-NH2 3.82Å; E48-R52 PolarHBondContact OE2-NH2 2.9Å
49V98.6Very high98.4Very high87 Ų87114.7 Ų114.753%0.52751%0.511SS..Hα-helixtrans-64.4-41.1175.9172.30000110.8I45 R46 R51 R52 R53I45-V49 HydrophobicContact CG2-CG2 4.42Å; I45-V49 WeakPolarHBondContact O-CG2 3.34Å; I45-V49 PolarHBondContact O-N 2.84Å; R46-V49 PolarHBondContact O-N 3.28Å; V49-R51 PolarHBondContact O-N 2.76Å; V49-R52 PolarHBondContact O-N 3.19Å; V49-R53 VanDerWaalsContact O-CB 3.3Å; V49-R53 WeakPolarHBondContact O-CB 3.07Å; V49-R53 PolarHBondContact O-N 2.85Å
50E98.5Very high98.5Very high104 Ų104110.8 Ų110.849%0.48650%0.503SS..Hα-helixtrans-57.7-46.3171.9-73.7158-163.400111.7R46 E48 Q54R46-E50 WeakPolarHBondContact O-CB 3.41Å; R46-E50 WeakPolarHBondContact O-CG 3.31Å; R46-E50 PolarHBondContact O-N 3.19Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.36Å; E50-Q54 PolarHBondContact O-N 2.91Å
51R98.5Very high98.5Very high159 Ų159109.2 Ų109.260%0.650%0.495SS*.Hα-helixtrans-64.8-44.6177.3-76.3165178179.5-4112.9R47 E48 V49 Q54 Q55R47-R51 WeakPolarHBondContact O-CB 3.42Å; R47-R51 VanDerWaalsContact O-CD 3.32Å; R47-R51 WeakPolarHBondContact O-CD 3.45Å; R47-R51 WeakPolarHBondContact O-CG 3.5Å; R47-R51 PolarHBondContact O-N 3.11Å; E48-R51 PolarHBondContact O-N 3.14Å; V49-R51 PolarHBondContact O-N 2.76Å; R51-Q54 PolarHBondContact O-N 3.49Å; R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.35Å
52R98.4Very high98.5Very high133 Ų133109.9 Ų109.950%0.50250%0.496SS..Hα-helixtrans-62.3-47.3177.7-68.5172.8-154.9-164.77.4110.4E48 V49 Q54 Q55 E56E48-R52 VanDerWaalsContact O-CG 3.29Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE2-CZ 2.76Å; E48-R52 IonicContact OE2-NH2 3.82Å; E48-R52 PolarHBondContact OE2-NH2 2.9Å; V49-R52 PolarHBondContact O-N 3.19Å; R52-Q54 VanDerWaalsContact C-N 3.32Å; R52-Q54 PolarHBondContact O-N 2.92Å; R52-Q55 WeakPolarHBondContact O-CB 3.29Å; R52-Q55 PolarHBondContact O-N 2.91Å; R52-E56 WeakPolarHBondContact O-CG 3.32Å; R52-E56 PolarHBondContact O-N 3.5Å
53R98.3Very high98.5Very high167 Ų167114.5 Ų114.563%0.6351%0.505SS*.Hα-helixtrans-58.6-39.7173.5-175.1179.9176.2-166.3-1.6112.6V49 L57V49-R53 VanDerWaalsContact O-CB 3.3Å; V49-R53 WeakPolarHBondContact O-CB 3.07Å; V49-R53 PolarHBondContact O-N 2.85Å; R53-L57 HydrophobicContact CG-CD1 4.06Å; R53-L57 WeakPolarHBondContact O-CB 3.43Å; R53-L57 WeakPolarHBondContact O-CD1 3.32Å; R53-L57 VanDerWaalsContact O-CG 3.22Å; R53-L57 WeakPolarHBondContact O-CG 3.43Å; R53-L57 PolarHBondContact O-N 3.3Å
54Q98.4Very high98.5Very high103 Ų103116.2 Ų116.248%0.48151%0.514SS..Hα-helixtrans-67.2-34.2174.6-76.1172.37.700112.8E50 R51 R52 R58E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.36Å; E50-Q54 PolarHBondContact O-N 2.91Å; R51-Q54 PolarHBondContact O-N 3.49Å; R52-Q54 VanDerWaalsContact C-N 3.32Å; R52-Q54 PolarHBondContact O-N 2.92Å; Q54-R58 WeakPolarHBondContact O-CD 3.25Å; Q54-R58 VanDerWaalsContact O-CG 3.24Å; Q54-R58 WeakPolarHBondContact O-CG 3.48Å; Q54-R58 PolarHBondContact O-N 3.28Å; Q54-R58 VanDerWaalsContact O-N 3.11Å
55Q98.4Very high98.5Very high113 Ų113117.3 Ų117.353%0.52851%0.513SS..Hα-helixtrans-70-44.5174.3-71.5166.2-29.700111.3R51 R52 R58 Q59R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.35Å; R52-Q55 WeakPolarHBondContact O-CB 3.29Å; R52-Q55 PolarHBondContact O-N 2.91Å; Q55-R58 PolarHBondContact O-N 3.42Å; Q55-Q59 WeakPolarHBondContact O-CG 3.29Å; Q55-Q59 PolarHBondContact O-N 3.47Å
56E98.3Very high98.5Very high112 Ų112117.5 Ų117.552%0.52351%0.512SS..Hα-helixtrans-59.4-46174.5-70.3157.7-16500111.5R52 R58 Q59 L60R52-E56 WeakPolarHBondContact O-CG 3.32Å; R52-E56 PolarHBondContact O-N 3.5Å; E56-R58 PolarHBondContact O-N 3.06Å; E56-Q59 PolarHBondContact O-N 3.46Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 2.78Å
57L98.4Very high98.5Very high82 Ų82112.5 Ų112.543%0.42950%0.497SS..Hα-helixtrans-61.9-42.3176.2-73.9166.6000112.2R53 L60 E61R53-L57 HydrophobicContact CG-CD1 4.06Å; R53-L57 WeakPolarHBondContact O-CB 3.43Å; R53-L57 WeakPolarHBondContact O-CD1 3.32Å; R53-L57 VanDerWaalsContact O-CG 3.22Å; R53-L57 WeakPolarHBondContact O-CG 3.43Å; R53-L57 PolarHBondContact O-N 3.3Å; L57-L60 PolarHBondContact O-N 3.08Å; L57-E61 WeakPolarHBondContact O-CG 3.4Å; L57-E61 PolarHBondContact O-N 3.33Å
58R98.6Very high98.5Very high143 Ų143113.1 Ų113.154%0.5450%0.5SS..Hα-helixtrans-63.1-43.5175.2-73.1169.2-170.3-175.83.3112.4Q54 Q55 E56 L60 E61 E62Q54-R58 WeakPolarHBondContact O-CD 3.25Å; Q54-R58 VanDerWaalsContact O-CG 3.24Å; Q54-R58 WeakPolarHBondContact O-CG 3.48Å; Q54-R58 PolarHBondContact O-N 3.28Å; Q54-R58 VanDerWaalsContact O-N 3.11Å; Q55-R58 PolarHBondContact O-N 3.42Å; E56-R58 PolarHBondContact O-N 3.06Å; R58-L60 VanDerWaalsContact C-N 3.26Å; R58-L60 PolarHBondContact O-N 3.39Å; R58-E61 WeakPolarHBondContact O-CB 3.45Å; R58-E61 PolarHBondContact O-N 3.31Å; R58-E62 WeakPolarHBondContact O-CB 3.23Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.24Å; R58-E62 PolarHBondContact O-N 3.46Å
59Q98.6Very high98.5Very high92 Ų92113 Ų11343%0.4350%0.499SS..Hα-helixtrans-62.8-33.3175.5-71.117518.500112.4Q55 E56 R63Q55-Q59 WeakPolarHBondContact O-CG 3.29Å; Q55-Q59 PolarHBondContact O-N 3.47Å; E56-Q59 PolarHBondContact O-N 3.46Å; Q59-R63 WeakPolarHBondContact O-CB 3.31Å; Q59-R63 WeakPolarHBondContact O-CD 3.44Å; Q59-R63 WeakPolarHBondContact O-CG 3.19Å; Q59-R63 PolarHBondContact O-N 3.45Å; Q59-R63 VanDerWaalsContact O-N 3.1Å
60L98.6Very high98.5Very high91 Ų91114.4 Ų114.448%0.47650%0.495SS..Hα-helixtrans-72.6-41.8173.2-69.4170.3000111.7E56 L57 R58 R63 L64E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 2.78Å; L57-L60 PolarHBondContact O-N 3.08Å; R58-L60 VanDerWaalsContact C-N 3.26Å; R58-L60 PolarHBondContact O-N 3.39Å; L60-R63 PolarHBondContact O-N 3.04Å; L60-L64 VanDerWaalsContact O-CB 3.3Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 2.79Å
61E98.4Very high98.5Very high90 Ų90116.8 Ų116.842%0.42150%0.5SS..Hα-helixtrans-59.6-43.9172.4-74.8176.5-140.700112.2L57 R58 L64 R65L57-E61 WeakPolarHBondContact O-CG 3.4Å; L57-E61 PolarHBondContact O-N 3.33Å; R58-E61 WeakPolarHBondContact O-CB 3.45Å; R58-E61 PolarHBondContact O-N 3.31Å; E61-L64 PolarHBondContact O-N 3.03Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.24Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.33Å; E61-R65 IonicContact OE2-CZ 3.3Å; E61-R65 IonicContact OE2-NH1 2.74Å; E61-R65 PolarHBondContact OE2-NH1 2.92Å; E61-R65 IonicContact OE2-NH2 3.78Å; E61-R65 PolarHBondContact OE2-NH2 3.02Å
62E98.6Very high98.4Very high102 Ų102112.2 Ų112.248%0.47749%0.485SS..Hα-helixtrans-62.4-50.3178.1-74.1158.3-174.200110.9R58 L64 R65 E66R58-E62 WeakPolarHBondContact O-CB 3.23Å; R58-E62 VanDerWaalsContact O-CG 3.24Å; R58-E62 WeakPolarHBondContact O-CG 3.24Å; R58-E62 PolarHBondContact O-N 3.46Å; E62-L64 PolarHBondContact O-N 3.02Å; E62-R65 PolarHBondContact O-N 3.43Å; E62-E66 PolarHBondContact O-N 3.39Å
63R98.7Very high98.4Very high140 Ų140113.3 Ų113.353%0.52849%0.489SS..Hα-helixtrans-60.1-44.1175.3-70.6168.8-165.8174.88.6112.5Q59 L60 R65 E66 D67Q59-R63 WeakPolarHBondContact O-CB 3.31Å; Q59-R63 WeakPolarHBondContact O-CD 3.44Å; Q59-R63 WeakPolarHBondContact O-CG 3.19Å; Q59-R63 PolarHBondContact O-N 3.45Å; Q59-R63 VanDerWaalsContact O-N 3.1Å; L60-R63 PolarHBondContact O-N 3.04Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.02Å; R63-E66 PolarHBondContact O-N 3.02Å; R63-D67 WeakPolarHBondContact O-CB 3.41Å; R63-D67 PolarHBondContact O-N 3.24Å
64L98.4Very high98.5Very high122 Ų122110.4 Ų110.464%0.63948%0.483SS*.Hα-helixtrans-66.7-31.8178.7-72.2170000112.5L60 E61 E62 W68L60-L64 VanDerWaalsContact O-CB 3.3Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 2.79Å; E61-L64 PolarHBondContact O-N 3.03Å; E62-L64 PolarHBondContact O-N 3.02Å; L64-W68 WeakPolarHBondContact O-CB 3.44Å; L64-W68 PolarHBondContact O-N 3.02Å
65R98.7Very high98.5Very high136 Ų136111.1 Ų111.151%0.51349%0.485SS..Hα-helixtrans-67.4-47.8170.2-73.7168.9-171133.112.7111.1E61 E62 R63 W68 E69E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.24Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.33Å; E61-R65 IonicContact OE2-CZ 3.3Å; E61-R65 IonicContact OE2-NH1 2.74Å; E61-R65 PolarHBondContact OE2-NH1 2.92Å; E61-R65 IonicContact OE2-NH2 3.78Å; E61-R65 PolarHBondContact OE2-NH2 3.02Å; E62-R65 PolarHBondContact O-N 3.43Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 3.02Å; R65-W68 PolarHBondContact O-N 2.92Å; R65-E69 WeakPolarHBondContact O-CB 3.25Å; R65-E69 WeakPolarHBondContact O-CG 3.44Å; R65-E69 PolarHBondContact O-N 2.92Å
66E98.7Very high98.5Very high98 Ų98110.7 Ų110.746%0.45849%0.485SS..Hα-helixtrans-58.9-48.9176.2-75.7-171.5-13100112.3E62 R63 W68 E69 R70E62-E66 PolarHBondContact O-N 3.39Å; R63-E66 PolarHBondContact O-N 3.02Å; E66-W68 VanDerWaalsContact C-N 3.31Å; E66-W68 PolarHBondContact O-N 3.15Å; E66-E69 PolarHBondContact O-N 2.89Å; E66-R70 WeakPolarHBondContact O-CB 3.33Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.35Å; E66-R70 IonicContact OE2-CZ 2.9Å; E66-R70 IonicContact OE2-NE 3.87Å; E66-R70 IonicContact OE2-NH2 3.72Å; E66-R70 PolarHBondContact OE2-NH2 2.89Å
67D98.4Very high98.5Very high57 Ų57111 Ų11131%0.30549%0.486SS..Hα-helixtrans-66.1-33.2179.7-70.5-25.7000112.2R63 R70 R71R63-D67 WeakPolarHBondContact O-CB 3.41Å; R63-D67 PolarHBondContact O-N 3.24Å; D67-R70 IonicContact OD1-CZ 2.7Å; D67-R70 IonicContact OD1-NE 2.76Å; D67-R70 IonicContact OD1-NH1 3.81Å; D67-R70 PolarHBondContact OD1-NH1 3.07Å; D67-R71 WeakPolarHBondContact O-CB 3.34Å; D67-R71 WeakPolarHBondContact O-CD 3.44Å; D67-R71 WeakPolarHBondContact O-CG 3.45Å; D67-R71 PolarHBondContact O-N 3.28Å
68W98.4Very high98.5Very high158 Ų158110.9 Ų110.960%0.59849%0.489SS*.Hα-helixtrans-66.5-47.7170.4-178.692.6000111.2L64 R65 E66 R70 R71 Q72L64-W68 WeakPolarHBondContact O-CB 3.44Å; L64-W68 PolarHBondContact O-N 3.02Å; R65-W68 PolarHBondContact O-N 2.92Å; E66-W68 VanDerWaalsContact C-N 3.31Å; E66-W68 PolarHBondContact O-N 3.15Å; W68-R70 PolarHBondContact O-N 2.88Å; W68-R71 PolarHBondContact O-N 3.48Å; W68-Q72 HydrophobicContact CD2-CG 3.95Å; W68-Q72 VanDerWaalsContact CE2-NE2 3.29Å; W68-Q72 HydrophobicContact CE3-CG 4.02Å; W68-Q72 HydrophobicContact CH2-CG 3.91Å; W68-Q72 HydrophobicContact CZ2-CG 3.84Å; W68-Q72 VanDerWaalsContact CZ2-NE2 3.35Å; W68-Q72 HydrophobicContact CZ3-CG 4Å; W68-Q72 WeakPolarHBondContact O-CG 3.5Å; W68-Q72 PolarHBondContact O-N 3.17Å
69E98.7Very high98.5Very high85 Ų85109.4 Ų109.440%0.39749%0.492SS..Hα-helixtrans-61.5-42.7178.2-79.3-169.7-138.100112.6R65 E66 Q72 R73R65-E69 WeakPolarHBondContact O-CB 3.25Å; R65-E69 WeakPolarHBondContact O-CG 3.44Å; R65-E69 PolarHBondContact O-N 2.92Å; E66-E69 PolarHBondContact O-N 2.89Å; E69-Q72 PolarHBondContact O-N 2.86Å; E69-R73 VanDerWaalsContact O-CG 3.23Å; E69-R73 WeakPolarHBondContact O-CG 3.37Å; E69-R73 PolarHBondContact O-N 3.1Å; E69-R73 IonicContact OE2-CZ 3.64Å; E69-R73 IonicContact OE2-NE 3.24Å; E69-R73 IonicContact OE2-NH2 2.94Å; E69-R73 PolarHBondContact OE2-NH2 3.43Å
70R98.6Very high98.5Very high115 Ų115110.4 Ų110.443%0.43450%0.496SS..Hα-helixtrans-55.7-52.5174-69.7165.1-162.9178.1-4.3110.3E66 D67 W68 Q72 R73 E74E66-R70 WeakPolarHBondContact O-CB 3.33Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.35Å; E66-R70 IonicContact OE2-CZ 2.9Å; E66-R70 IonicContact OE2-NE 3.87Å; E66-R70 IonicContact OE2-NH2 3.72Å; E66-R70 PolarHBondContact OE2-NH2 2.89Å; D67-R70 IonicContact OD1-CZ 2.7Å; D67-R70 IonicContact OD1-NE 2.76Å; D67-R70 IonicContact OD1-NH1 3.81Å; D67-R70 PolarHBondContact OD1-NH1 3.07Å; W68-R70 PolarHBondContact O-N 2.88Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 2.85Å; R70-R73 WeakPolarHBondContact O-CB 3.47Å; R70-R73 PolarHBondContact O-N 3.21Å; R70-E74 VanDerWaalsContact C-OE1 3.3Å; R70-E74 VanDerWaalsContact O-CD 3.3Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.9Å
71R98.3Very high98.5Very high154 Ų154107.8 Ų107.858%0.58149%0.486SS*.Hα-helixtrans-59.9-32.4176.2-70.8168.1-178.4168.51.8114.1D67 W68 E74 K75D67-R71 WeakPolarHBondContact O-CB 3.34Å; D67-R71 WeakPolarHBondContact O-CD 3.44Å; D67-R71 WeakPolarHBondContact O-CG 3.45Å; D67-R71 PolarHBondContact O-N 3.28Å; W68-R71 PolarHBondContact O-N 3.48Å; R71-E74 WeakPolarHBondContact CA-OE2 3.34Å; R71-K75 WeakPolarHBondContact O-CB 3.49Å; R71-K75 WeakPolarHBondContact O-CD 3.47Å; R71-K75 WeakPolarHBondContact O-CG 3.35Å; R71-K75 PolarHBondContact O-N 3.41Å; R71-K75 VanDerWaalsContact O-N 3.08Å
72Q97.1Very high98.4Very high64 Ų64108.4 Ų108.430%0.29949%0.491SS..Hα-helixtrans-73.6-39.9173-62.1-57.7-4.100111.9W68 E69 R70 K75 L76W68-Q72 HydrophobicContact CD2-CG 3.95Å; W68-Q72 VanDerWaalsContact CE2-NE2 3.29Å; W68-Q72 HydrophobicContact CE3-CG 4.02Å; W68-Q72 HydrophobicContact CH2-CG 3.91Å; W68-Q72 HydrophobicContact CZ2-CG 3.84Å; W68-Q72 VanDerWaalsContact CZ2-NE2 3.35Å; W68-Q72 HydrophobicContact CZ3-CG 4Å; W68-Q72 WeakPolarHBondContact O-CG 3.5Å; W68-Q72 PolarHBondContact O-N 3.17Å; E69-Q72 PolarHBondContact O-N 2.86Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 2.85Å; Q72-K75 PolarHBondContact O-N 2.76Å; Q72-L76 WeakPolarHBondContact O-CB 3.22Å; Q72-L76 VanDerWaalsContact O-CG 3.28Å; Q72-L76 WeakPolarHBondContact O-CG 3.47Å; Q72-L76 PolarHBondContact O-N 2.92Å
73R98.6Very high98.4Very high155 Ų155110.3 Ų110.359%0.58550%0.495SS*.Hα-helixtrans-64.6-41.3175.5-65.3165.1-164.2-167.57.2111.3E69 R70 L76 H77E69-R73 VanDerWaalsContact O-CG 3.23Å; E69-R73 WeakPolarHBondContact O-CG 3.37Å; E69-R73 PolarHBondContact O-N 3.1Å; E69-R73 IonicContact OE2-CZ 3.64Å; E69-R73 IonicContact OE2-NE 3.24Å; E69-R73 IonicContact OE2-NH2 2.94Å; E69-R73 PolarHBondContact OE2-NH2 3.43Å; R70-R73 WeakPolarHBondContact O-CB 3.47Å; R70-R73 PolarHBondContact O-N 3.21Å; R73-L76 PolarHBondContact O-N 3.09Å; R73-H77 WeakPolarHBondContact O-CB 3.12Å; R73-H77 PolarHBondContact O-N 2.85Å
74E98.6Very high98.4Very high107 Ų107108.1 Ų108.150%0.549%0.493SS..Hα-helixtrans-59.5-49.7172.4-72.2149.9-148.100111.3R70 R71 L76 H77 T78R70-E74 VanDerWaalsContact C-OE1 3.3Å; R70-E74 VanDerWaalsContact O-CD 3.3Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.9Å; R71-E74 WeakPolarHBondContact CA-OE2 3.34Å; E74-L76 PolarHBondContact O-N 3.42Å; E74-H77 PolarHBondContact O-N 3.2Å; E74-T78 WeakPolarHBondContact O-CG2 3.24Å; E74-T78 PolarHBondContact O-N 2.94Å; E74-T78 PolarHBondContact O-OG1 2.85Å; E74-T78 VanDerWaalsContact O-OG1 3.09Å
75K98.5Very high98.3Very high118 Ų118107 Ų10751%0.51349%0.485SS..Hα-helixtrans-58.1-47.9175.5-76.8170.3-177.2-176.10112.2R71 Q72 H77 T78 L79R71-K75 WeakPolarHBondContact O-CB 3.49Å; R71-K75 WeakPolarHBondContact O-CD 3.47Å; R71-K75 WeakPolarHBondContact O-CG 3.35Å; R71-K75 PolarHBondContact O-N 3.41Å; R71-K75 VanDerWaalsContact O-N 3.08Å; Q72-K75 PolarHBondContact O-N 2.76Å; K75-H77 VanDerWaalsContact C-N 3.33Å; K75-H77 PolarHBondContact O-N 2.97Å; K75-T78 WeakPolarHBondContact CA-OG1 3.32Å; K75-T78 PolarHBondContact O-N 3.47Å; K75-T78 PolarHBondContact O-OG1 3.2Å; K75-L79 WeakPolarHBondContact O-CB 3.34Å; K75-L79 VanDerWaalsContact O-CG 3.28Å; K75-L79 WeakPolarHBondContact O-CG 3.4Å; K75-L79 PolarHBondContact O-N 3.4Å
76L98.6Very high98.2Very high103 Ų103103 Ų10354%0.53948%0.478SS..Hα-helixtrans-60.7-41.7176.5-72.4170.2000111.6Q72 R73 E74 Q80Q72-L76 WeakPolarHBondContact O-CB 3.22Å; Q72-L76 VanDerWaalsContact O-CG 3.28Å; Q72-L76 WeakPolarHBondContact O-CG 3.47Å; Q72-L76 PolarHBondContact O-N 2.92Å; R73-L76 PolarHBondContact O-N 3.09Å; E74-L76 PolarHBondContact O-N 3.42Å; L76-Q80 WeakPolarHBondContact O-CB 3.49Å; L76-Q80 WeakPolarHBondContact O-CG 3.47Å; L76-Q80 PolarHBondContact O-N 3.27Å
77H98.6Very high98Very high119 Ų119102.2 Ų102.255%0.55148%0.476SS*.Hα-helixtrans-67.8-45.2177.5-174.321.7000112R73 E74 K75 L79 Q80 S81R73-H77 WeakPolarHBondContact O-CB 3.12Å; R73-H77 PolarHBondContact O-N 2.85Å; E74-H77 PolarHBondContact O-N 3.2Å; K75-H77 VanDerWaalsContact C-N 3.33Å; K75-H77 PolarHBondContact O-N 2.97Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L79 PolarHBondContact O-N 3.34Å; H77-Q80 WeakPolarHBondContact O-CB 3.34Å; H77-Q80 PolarHBondContact O-N 3.27Å; H77-Q80 VanDerWaalsContact O-N 3.15Å; H77-S81 PolarHBondContact O-N 2.76Å; H77-S81 PolarHBondContact O-OG 2.87Å
78T98.5Very high97.7Very high80 Ų80105 Ų10549%0.49149%0.487SS..Hα-helixtrans-62.1-39.6176.152.50000112.2E74 K75 S81 L82E74-T78 WeakPolarHBondContact O-CG2 3.24Å; E74-T78 PolarHBondContact O-N 2.94Å; E74-T78 PolarHBondContact O-OG1 2.85Å; E74-T78 VanDerWaalsContact O-OG1 3.09Å; K75-T78 WeakPolarHBondContact CA-OG1 3.32Å; K75-T78 PolarHBondContact O-N 3.47Å; K75-T78 PolarHBondContact O-OG1 3.2Å; T78-S81 PolarHBondContact O-N 2.93Å; T78-L82 WeakPolarHBondContact O-CB 3.34Å; T78-L82 VanDerWaalsContact O-CG 3.27Å; T78-L82 WeakPolarHBondContact O-CG 3.41Å; T78-L82 PolarHBondContact O-N 3.39Å
79L98.5Very high97.4Very high112 Ų112102.5 Ų102.559%0.58649%0.485SS*.Hα-helixtrans-66.9-36.6174.2-71.9170.2000112K75 H77 Y83K75-L79 WeakPolarHBondContact O-CB 3.34Å; K75-L79 VanDerWaalsContact O-CG 3.28Å; K75-L79 WeakPolarHBondContact O-CG 3.4Å; K75-L79 PolarHBondContact O-N 3.4Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L79 PolarHBondContact O-N 3.34Å; L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 2.68Å
80Q98.4Very high97.2Very high112 Ų112104.1 Ų104.152%0.52350%0.495SS..Hα-helixtrans-66-43.4173.2-76.1169.410.700112.1L76 H77 Y83 L84L76-Q80 WeakPolarHBondContact O-CB 3.49Å; L76-Q80 WeakPolarHBondContact O-CG 3.47Å; L76-Q80 PolarHBondContact O-N 3.27Å; H77-Q80 WeakPolarHBondContact O-CB 3.34Å; H77-Q80 PolarHBondContact O-N 3.27Å; H77-Q80 VanDerWaalsContact O-N 3.15Å; Q80-Y83 PolarHBondContact O-N 3.04Å; Q80-L84 WeakPolarHBondContact O-CB 3.33Å; Q80-L84 VanDerWaalsContact O-CG 3.28Å; Q80-L84 WeakPolarHBondContact O-CG 3.12Å; Q80-L84 PolarHBondContact O-N 3.4Å
81S98.3Very high96.8Very high37 Ų37100 Ų10026%0.25949%0.488SS..Hα-helixtrans-62.6-49.4176.1-60.80000111.1H77 T78 Y83 L84 E85H77-S81 PolarHBondContact O-N 2.76Å; H77-S81 PolarHBondContact O-OG 2.87Å; T78-S81 PolarHBondContact O-N 2.93Å; S81-Y83 VanDerWaalsContact C-N 3.28Å; S81-Y83 PolarHBondContact O-N 3Å; S81-L84 CarbonylContact O-C 3.51Å; S81-L84 PolarHBondContact O-N 3.15Å; S81-L84 VanDerWaalsContact O-N 3.1Å; S81-E85 WeakPolarHBondContact O-CB 3.38Å; S81-E85 VanDerWaalsContact O-CG 3.32Å; S81-E85 WeakPolarHBondContact O-CG 3.38Å; S81-E85 PolarHBondContact O-N 3.25Å
82L98.3Very high96.4Very high102 Ų10296.6 Ų96.653%0.53448%0.479SS..Hα-helixtrans-60.5-34.7175.6-70.4169.4000112.8T78 S86T78-L82 WeakPolarHBondContact O-CB 3.34Å; T78-L82 VanDerWaalsContact O-CG 3.27Å; T78-L82 WeakPolarHBondContact O-CG 3.41Å; T78-L82 PolarHBondContact O-N 3.39Å; L82-S86 WeakPolarHBondContact O-CB 3.34Å; L82-S86 PolarHBondContact O-N 3.01Å; L82-S86 PolarHBondContact O-OG 2.83Å
83Y97.9Very high96Very high142 Ų14298 Ų9856%0.55750%0.496SS*.Hα-helixtrans-69.3-42173.5176.5-107.5000112.2L79 Q80 S81 S86 L87L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 2.68Å; Q80-Y83 PolarHBondContact O-N 3.04Å; S81-Y83 VanDerWaalsContact C-N 3.28Å; S81-Y83 PolarHBondContact O-N 3Å; Y83-S86 PolarHBondContact O-N 3.16Å; Y83-S86 PolarHBondContact O-OG 3.16Å; Y83-L87 HydrophobicContact CD1-CD1 4.07Å; Y83-L87 HydrophobicContact CE1-CD1 3.48Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.48Å; Y83-L87 HydrophobicContact CE1-CG 4.23Å; Y83-L87 HydrophobicContact CE2-CD1 4.38Å; Y83-L87 HydrophobicContact CE2-CG 4.3Å; Y83-L87 WeakPolarHBondContact O-CG 3.25Å; Y83-L87 PolarHBondContact O-N 3.21Å
84L97.6Very high95.5Very high95 Ų9597.9 Ų97.950%0.49750%0.502SS..Hα-helixtrans-67.8-36.6175.4-70.4170000111.8Q80 S81 L87 Q88Q80-L84 WeakPolarHBondContact O-CB 3.33Å; Q80-L84 VanDerWaalsContact O-CG 3.28Å; Q80-L84 WeakPolarHBondContact O-CG 3.12Å; Q80-L84 PolarHBondContact O-N 3.4Å; S81-L84 CarbonylContact O-C 3.51Å; S81-L84 PolarHBondContact O-N 3.15Å; S81-L84 VanDerWaalsContact O-N 3.1Å; L84-L87 PolarHBondContact O-N 3.34Å; L84-Q88 WeakPolarHBondContact O-CB 3.4Å; L84-Q88 VanDerWaalsContact O-CG 3.24Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.33Å
85E97Very high95Very high99 Ų9998.2 Ų98.246%0.46350%0.498SS..Hα-helixtrans-64.1-43.8171.6-73.6164.1-150.700111.1S81 L87 Q88 L89S81-E85 WeakPolarHBondContact O-CB 3.38Å; S81-E85 VanDerWaalsContact O-CG 3.32Å; S81-E85 WeakPolarHBondContact O-CG 3.38Å; S81-E85 PolarHBondContact O-N 3.25Å; E85-L87 PolarHBondContact O-N 2.85Å; E85-Q88 CarbonylContact O-C 3.59Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 2.95Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; E85-L89 WeakPolarHBondContact O-CB 3.44Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 2.96Å
86S96.2Very high94.5Very high52 Ų5295.3 Ų95.336%0.36449%0.493SS..Hα-helixtrans-65.5-38.5176.377.30000112.7L82 Y83 Q88 L89 I90L82-S86 WeakPolarHBondContact O-CB 3.34Å; L82-S86 PolarHBondContact O-N 3.01Å; L82-S86 PolarHBondContact O-OG 2.83Å; Y83-S86 PolarHBondContact O-N 3.16Å; Y83-S86 PolarHBondContact O-OG 3.16Å; S86-Q88 VanDerWaalsContact C-N 3.34Å; S86-L89 PolarHBondContact O-N 2.96Å; S86-I90 WeakPolarHBondContact O-CG1 3.5Å; S86-I90 PolarHBondContact O-N 3.39Å; S86-I90 VanDerWaalsContact O-N 3.12Å
87L95.6Very high94Very high80 Ų8092.5 Ų92.542%0.41948%0.484SS..Hα-helixtrans-63.2-37.7169.2-72.3178.4000112.6Y83 L84 E85 I90Y83-L87 HydrophobicContact CD1-CD1 4.07Å; Y83-L87 HydrophobicContact CE1-CD1 3.48Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.48Å; Y83-L87 HydrophobicContact CE1-CG 4.23Å; Y83-L87 HydrophobicContact CE2-CD1 4.38Å; Y83-L87 HydrophobicContact CE2-CG 4.3Å; Y83-L87 WeakPolarHBondContact O-CG 3.25Å; Y83-L87 PolarHBondContact O-N 3.21Å; L84-L87 PolarHBondContact O-N 3.34Å; E85-L87 PolarHBondContact O-N 2.85Å; L87-I90 HydrophobicContact CD2-CD1 4.37Å
88Q91.9Very high93.5Very high117 Ų11794 Ų9455%0.54749%0.489SS..Hα-helixtrans-69.7-30.9175.3-77.3175.847.100112.8L84 E85 S86 Q92 R95L84-Q88 WeakPolarHBondContact O-CB 3.4Å; L84-Q88 VanDerWaalsContact O-CG 3.24Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.33Å; E85-Q88 CarbonylContact O-C 3.59Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 2.95Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; S86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-Q92 WeakPolarHBondContact O-CG 3.17Å; Q88-Q92 PolarHBondContact O-NE2 3.26Å; Q88-R95 PolarHBondContact O-NH2 3.27Å
89L91.8Very high92.7Very high104 Ų10496 Ų9655%0.54549%0.493SS..Hα-helixtrans-70.5-35.2175.2-75.4163.5000112.3E85 S86 G91 Q92E85-L89 WeakPolarHBondContact O-CB 3.44Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 2.96Å; S86-L89 PolarHBondContact O-N 2.96Å; L89-G91 PolarHBondContact O-N 3.32Å; L89-G91 VanDerWaalsContact O-N 3.16Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 WeakPolarHBondContact O-CG 3.2Å; L89-Q92 PolarHBondContact O-N 2.86Å
90I94.9Very high92.3Very high120 Ų12094 Ų9462%0.61549%0.486SS*.THydrogen-bonded Turntrans-58120.3177.8-71.6166.8000110.4S86 L87 Q92 R95S86-I90 WeakPolarHBondContact O-CG1 3.5Å; S86-I90 PolarHBondContact O-N 3.39Å; S86-I90 VanDerWaalsContact O-N 3.12Å; L87-I90 HydrophobicContact CD2-CD1 4.37Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.3Å; I90-R95 PolarHBondContact O-NH2 2.88Å
91G89.1Confident91.7Very high28 Ų2895 Ų9529%0.28949%0.49SS..THydrogen-bonded Turntrans69.220.6-178.400000114.9L89 S93 R95L89-G91 PolarHBondContact O-N 3.32Å; L89-G91 VanDerWaalsContact O-N 3.16Å; G91-S93 VanDerWaalsContact C-N 3.33Å; G91-R95 PolarHBondContact O-N 3.49Å; G91-R95 PolarHBondContact O-NE 2.59Å; G91-R95 VanDerWaalsContact O-NE 3.08Å
92Q90.5Very high91.1Very high83 Ų8396.1 Ų96.139%0.38850%0.502SS..Hα-helixtrans-60.7-44.1165.3-77.7-173.86.700111Q88 L89 I90 H94 R95 S96Q88-Q92 WeakPolarHBondContact O-CG 3.17Å; Q88-Q92 PolarHBondContact O-NE2 3.26Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 WeakPolarHBondContact O-CG 3.2Å; L89-Q92 PolarHBondContact O-N 2.86Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.3Å; Q92-H94 PolarHBondContact O-N 3.45Å; Q92-H94 VanDerWaalsContact O-N 3.1Å; Q92-R95 CarbonylContact O-C 3.56Å; Q92-R95 WeakPolarHBondContact O-CA 3.34Å; Q92-R95 WeakPolarHBondContact O-CB 3.3Å; Q92-R95 PolarHBondContact O-N 3.27Å; Q92-S96 PolarHBondContact O-N 3.36Å; Q92-S96 PolarHBondContact O-OG 3.03Å
93S87.9Confident90.5Very high92 Ų9296.7 Ų96.764%0.64351%0.506SS*.Hα-helixtrans-55.7-32.5179.8-41.10000113.6G91 S96 A97G91-S93 VanDerWaalsContact C-N 3.33Å; S93-S96 PolarHBondContact O-OG 3.1Å; S93-A97 WeakPolarHBondContact O-CB 3.45Å; S93-A97 PolarHBondContact O-N 3.18Å
94H88.8Confident89.9Confident154 Ų15495.1 Ų95.171%0.71351%0.506SS*.Hα-helixtrans-77.4-30.8174.7-66-58.9000113.3Q92 K98Q92-H94 PolarHBondContact O-N 3.45Å; Q92-H94 VanDerWaalsContact O-N 3.1Å; H94-K98 WeakPolarHBondContact O-CB 3.26Å; H94-K98 PolarHBondContact O-N 2.88Å
95R88.1Confident89.5Confident114 Ų11492.5 Ų92.543%0.4350%0.498SS..Hα-helixtrans-74-52.2175.7-74.1174.8-89.6159.8-7.4110.5Q88 I90 G91 Q92 A97 K98 E99Q88-R95 PolarHBondContact O-NH2 3.27Å; I90-R95 PolarHBondContact O-NH2 2.88Å; G91-R95 PolarHBondContact O-N 3.49Å; G91-R95 PolarHBondContact O-NE 2.59Å; G91-R95 VanDerWaalsContact O-NE 3.08Å; Q92-R95 CarbonylContact O-C 3.56Å; Q92-R95 WeakPolarHBondContact O-CA 3.34Å; Q92-R95 WeakPolarHBondContact O-CB 3.3Å; Q92-R95 PolarHBondContact O-N 3.27Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.92Å; R95-K98 PolarHBondContact O-N 3.47Å; R95-K98 VanDerWaalsContact O-N 3.14Å; R95-E99 WeakPolarHBondContact O-CG 3.44Å; R95-E99 PolarHBondContact O-N 2.65Å
96S87.6Confident89.3Confident56 Ų5689.5 Ų89.539%0.39249%0.49SS..Hα-helixtrans-63.5-35.8177.265.20000112.6Q92 S93 E99 T100Q92-S96 PolarHBondContact O-N 3.36Å; Q92-S96 PolarHBondContact O-OG 3.03Å; S93-S96 PolarHBondContact O-OG 3.1Å; S96-E99 PolarHBondContact O-N 3.15Å; S96-T100 VanDerWaalsContact O-CB 3.3Å; S96-T100 WeakPolarHBondContact O-CB 3.33Å; S96-T100 PolarHBondContact O-N 3.32Å; S96-T100 PolarHBondContact O-OG1 3.27Å
97A88.6Confident89Confident44 Ų4489 Ų8936%0.36449%0.489SS..Hα-helixtrans-62.5-46.2172.300000111.7S93 R95 E99 T100 E101S93-A97 WeakPolarHBondContact O-CB 3.45Å; S93-A97 PolarHBondContact O-N 3.18Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.92Å; A97-E99 VanDerWaalsContact C-N 3.32Å; A97-E99 PolarHBondContact O-N 2.92Å; A97-T100 CarbonylContact O-C 3.56Å; A97-T100 PolarHBondContact O-N 3.3Å; A97-E101 WeakPolarHBondContact O-CG 3.39Å; A97-E101 PolarHBondContact O-N 2.78Å
98K87.3Confident88.8Confident152 Ų15288.5 Ų88.566%0.66149%0.49SS*.Hα-helixtrans-65.4-33.4177.8-174.3-178177.6-173.40113.1H94 R95 A102H94-K98 WeakPolarHBondContact O-CB 3.26Å; H94-K98 PolarHBondContact O-N 2.88Å; R95-K98 PolarHBondContact O-N 3.47Å; R95-K98 VanDerWaalsContact O-N 3.14Å; K98-A102 PolarHBondContact O-N 3.48Å
99E83.1Confident88.8Confident120 Ų12088.6 Ų88.656%0.56149%0.49SS*.Hα-helixtrans-69.4-45.4172.6-72152-167.600110.2R95 S96 A97 E101 A102 D103R95-E99 WeakPolarHBondContact O-CG 3.44Å; R95-E99 PolarHBondContact O-N 2.65Å; S96-E99 PolarHBondContact O-N 3.15Å; A97-E99 VanDerWaalsContact C-N 3.32Å; A97-E99 PolarHBondContact O-N 2.92Å; E99-E101 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.48Å; E99-A102 WeakPolarHBondContact O-CB 3.1Å; E99-A102 PolarHBondContact O-N 2.85Å; E99-D103 PolarHBondContact O-N 3.26Å
100T88.8Confident88.9Confident72 Ų7290.5 Ų90.544%0.44249%0.49SS..Hα-helixtrans-61.6-37.4175.2-530000112.5S96 A97 A102 D103 L104S96-T100 VanDerWaalsContact O-CB 3.3Å; S96-T100 WeakPolarHBondContact O-CB 3.33Å; S96-T100 PolarHBondContact O-N 3.32Å; S96-T100 PolarHBondContact O-OG1 3.27Å; A97-T100 CarbonylContact O-C 3.56Å; A97-T100 PolarHBondContact O-N 3.3Å; T100-A102 VanDerWaalsContact C-N 3.27Å; T100-A102 PolarHBondContact O-N 3.42Å; T100-D103 PolarHBondContact O-N 2.91Å; T100-L104 HydrophobicContact CG2-CD1 4.03Å; T100-L104 HydrophobicContact CG2-CG 4.25Å; T100-L104 WeakPolarHBondContact O-CB 3.12Å; T100-L104 VanDerWaalsContact O-CG 3.25Å; T100-L104 WeakPolarHBondContact O-CG 3.26Å; T100-L104 PolarHBondContact O-N 3.17Å
101E85.6Confident88.7Confident132 Ų13290.3 Ų90.362%0.61749%0.487SS*.Hα-helixtrans-58.8-38173.4-78.5170.2-172.300112A97 E99 A105A97-E101 WeakPolarHBondContact O-CG 3.39Å; A97-E101 PolarHBondContact O-N 2.78Å; E99-E101 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.48Å; E101-A105 WeakPolarHBondContact O-CB 3.49Å; E101-A105 PolarHBondContact O-N 2.78Å; E101-A105 VanDerWaalsContact O-N 3.09Å
102A85.4Confident88.9Confident61 Ų6195.1 Ų95.150%0.50450%0.502SS..Hα-helixtrans-73.4-40.2176.700000112.1K98 E99 T100 A105 A106K98-A102 PolarHBondContact O-N 3.48Å; E99-A102 WeakPolarHBondContact O-CB 3.1Å; E99-A102 PolarHBondContact O-N 2.85Å; T100-A102 VanDerWaalsContact C-N 3.27Å; T100-A102 PolarHBondContact O-N 3.42Å; A102-A105 PolarHBondContact O-N 2.83Å; A102-A106 PolarHBondContact O-N 3.48Å
103D87.5Confident89.2Confident114 Ų11496.4 Ų96.461%0.6151%0.508SS*.Hα-helixtrans-65.3-40.3175.7-72.2-29.5000111.9E99 T100 A106 A107E99-D103 PolarHBondContact O-N 3.26Å; T100-D103 PolarHBondContact O-N 2.91Å; D103-A106 PolarHBondContact O-N 3.24Å; D103-A107 PolarHBondContact O-N 3.42Å
104L84.6Confident89.6Confident108 Ų10897.9 Ų97.957%0.56550%0.504SS*.Hα-helixtrans-62.5-42.8172.9-73.3170.2000111.6T100 A106 A107 T108T100-L104 HydrophobicContact CG2-CD1 4.03Å; T100-L104 HydrophobicContact CG2-CG 4.25Å; T100-L104 WeakPolarHBondContact O-CB 3.12Å; T100-L104 VanDerWaalsContact O-CG 3.25Å; T100-L104 WeakPolarHBondContact O-CG 3.26Å; T100-L104 PolarHBondContact O-N 3.17Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.91Å; L104-A107 WeakPolarHBondContact O-CB 3.36Å; L104-A107 PolarHBondContact O-N 3.12Å; L104-T108 PolarHBondContact O-N 2.96Å; L104-T108 PolarHBondContact O-OG1 3.12Å
105A90Very high89.9Confident41 Ų4197 Ų9734%0.33950%0.5SS..Hα-helixtrans-66.1-31175.300000112.9E101 A102 T108 Q109E101-A105 WeakPolarHBondContact O-CB 3.49Å; E101-A105 PolarHBondContact O-N 2.78Å; E101-A105 VanDerWaalsContact O-N 3.09Å; A102-A105 PolarHBondContact O-N 2.83Å; A105-T108 PolarHBondContact O-OG1 2.91Å; A105-Q109 VanDerWaalsContact O-CG 3.28Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.94Å
106A91.4Very high90.3Very high35 Ų3595.5 Ų95.529%0.28950%0.503SS..Hα-helixtrans-72.8-33171.900000112.2A102 D103 L104 R110A102-A106 PolarHBondContact O-N 3.48Å; D103-A106 PolarHBondContact O-N 3.24Å; L104-A106 VanDerWaalsContact C-N 3.3Å; L104-A106 PolarHBondContact O-N 2.91Å; A106-R110 WeakPolarHBondContact O-CG 3.21Å; A106-R110 PolarHBondContact O-N 3.28Å
107A90.8Very high90.8Very high42 Ų4296.6 Ų96.635%0.34750%0.501SS..Hα-helixtrans-67.3-48.417400000111.8D103 L104 Q109 R110 E111D103-A107 PolarHBondContact O-N 3.42Å; L104-A107 WeakPolarHBondContact O-CB 3.36Å; L104-A107 PolarHBondContact O-N 3.12Å; A107-Q109 VanDerWaalsContact C-N 3.31Å; A107-Q109 PolarHBondContact O-N 3.38Å; A107-R110 WeakPolarHBondContact O-CB 3.48Å; A107-R110 PolarHBondContact O-N 2.9Å; A107-E111 PolarHBondContact O-N 3.44Å
108T90.4Very high91.2Very high69 Ų6997 Ų9742%0.42350%0.504SS..Hα-helixtrans-62-36.617955.90000112.4L104 A105 R110 E111 E112L104-T108 PolarHBondContact O-N 2.96Å; L104-T108 PolarHBondContact O-OG1 3.12Å; A105-T108 PolarHBondContact O-OG1 2.91Å; T108-R110 VanDerWaalsContact C-N 3.33Å; T108-R110 PolarHBondContact O-N 3.31Å; T108-E111 PolarHBondContact O-N 2.91Å; T108-E112 WeakPolarHBondContact O-CG 3.4Å; T108-E112 PolarHBondContact O-N 3.4Å
109Q92.8Very high91.6Very high119 Ų11994.3 Ų94.356%0.55649%0.494SS*.Hα-helixtrans-61.7-38.2173.1-74.2171.723.800112.8A105 A107 E113A105-Q109 VanDerWaalsContact O-CG 3.28Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.94Å; A107-Q109 VanDerWaalsContact C-N 3.31Å; A107-Q109 PolarHBondContact O-N 3.38Å; Q109-E113 WeakPolarHBondContact O-CB 3.22Å; Q109-E113 PolarHBondContact O-N 3.43Å
110R93.4Very high92.3Very high144 Ų14493.6 Ų93.654%0.54349%0.491SS..Hα-helixtrans-66.2-43.3173.8-65.5169.6-169.2-170.26.2110.9A106 A107 T108 E113 H114 E477A106-R110 WeakPolarHBondContact O-CG 3.21Å; A106-R110 PolarHBondContact O-N 3.28Å; A107-R110 WeakPolarHBondContact O-CB 3.48Å; A107-R110 PolarHBondContact O-N 2.9Å; T108-R110 VanDerWaalsContact C-N 3.33Å; T108-R110 PolarHBondContact O-N 3.31Å; R110-E113 WeakPolarHBondContact O-CB 3.5Å; R110-E113 PolarHBondContact O-N 2.9Å; R110-H114 PolarHBondContact O-CD2 3.33Å; R110-H114 VanDerWaalsContact O-CG 3.3Å; R110-H114 PolarHBondContact O-N 2.87Å; R110-E477 IonicContact NH1-OE1 3.26Å
111E90.9Very high92.7Very high117 Ų11798.7 Ų98.755%0.54750%0.502SS..Hα-helixtrans-60.9-46176.5-68.2-179.6161.900111.7A107 T108 E113 H114 H115A107-E111 PolarHBondContact O-N 3.44Å; T108-E111 PolarHBondContact O-N 2.91Å; E111-E113 PolarHBondContact O-N 3.39Å; E111-H114 CarbonylContact O-C 3.59Å; E111-H114 PolarHBondContact O-N 3.48Å; E111-H114 VanDerWaalsContact O-N 3.13Å; E111-H115 PolarHBondContact O-CD2 2.94Å; E111-H115 PolarHBondContact O-N 2.87Å
112E93.6Very high93.2Very high129 Ų12999.6 Ų99.660%0.60350%0.501SS*.Hα-helixtrans-57.6-47.2173.1-74.6179.1178.100111.7T108 H114 H115 V116T108-E112 WeakPolarHBondContact O-CG 3.4Å; T108-E112 PolarHBondContact O-N 3.4Å; E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 2.83Å; E112-H115 PolarHBondContact O-N 3.4Å; E112-V116 WeakPolarHBondContact O-CG2 3.13Å; E112-V116 PolarHBondContact O-N 3.28Å
113E96.3Very high93.8Very high110 Ų110103.2 Ų103.251%0.51450%0.501SS..Hα-helixtrans-57.9-41.6173.3-87.4-165.1-141.500112.4Q109 R110 E111 K117Q109-E113 WeakPolarHBondContact O-CB 3.22Å; Q109-E113 PolarHBondContact O-N 3.43Å; R110-E113 WeakPolarHBondContact O-CB 3.5Å; R110-E113 PolarHBondContact O-N 2.9Å; E111-E113 PolarHBondContact O-N 3.39Å; E113-K117 WeakPolarHBondContact O-CB 3.46Å; E113-K117 WeakPolarHBondContact O-CD 3.48Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.38Å; E113-K117 IonicContact OE2-NZ 2.59Å; E113-K117 PolarHBondContact OE2-NZ 3.39Å
114H95.8Very high94.3Very high123 Ų123103.1 Ų103.157%0.56950%0.497SS*.Hα-helixtrans-67.4-38.9177.2-71.4-54.7000112R110 E111 E112 K117 A118R110-H114 PolarHBondContact O-CD2 3.33Å; R110-H114 VanDerWaalsContact O-CG 3.3Å; R110-H114 PolarHBondContact O-N 2.87Å; E111-H114 CarbonylContact O-C 3.59Å; E111-H114 PolarHBondContact O-N 3.48Å; E111-H114 VanDerWaalsContact O-N 3.13Å; E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 2.83Å; H114-K117 PolarHBondContact O-N 3.48Å; H114-A118 WeakPolarHBondContact O-CB 3.28Å; H114-A118 PolarHBondContact O-N 3.1Å
115H96.6Very high94.9Very high135 Ų135100.4 Ų100.463%0.62549%0.49SS*.Hα-helixtrans-63.6-46.1173.7-84.9-71.1000112.1E111 E112 K117 A118 E119E111-H115 PolarHBondContact O-CD2 2.94Å; E111-H115 PolarHBondContact O-N 2.87Å; E112-H115 PolarHBondContact O-N 3.4Å; H115-K117 PolarHBondContact O-N 3.41Å; H115-A118 WeakPolarHBondContact O-CB 3.43Å; H115-A118 PolarHBondContact O-N 2.91Å; H115-E119 PolarHBondContact O-N 2.87Å
116V96.6Very high95.2Very high82 Ų82101.4 Ų101.450%0.49749%0.49SS..Hα-helixtrans-60.7-46.9175.9173.50000110.8E112 A118 E119 E120E112-V116 WeakPolarHBondContact O-CG2 3.13Å; E112-V116 PolarHBondContact O-N 3.28Å; V116-A118 VanDerWaalsContact C-N 3.27Å; V116-A118 PolarHBondContact O-N 2.83Å; V116-E119 WeakPolarHBondContact O-CB 3.3Å; V116-E119 PolarHBondContact O-N 3.28Å; V116-E119 VanDerWaalsContact O-N 3.17Å; V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.32Å
117K97.5Very high95.5Very high79 Ų79105.5 Ų105.534%0.34350%0.501SS..Hα-helixtrans-63.3-30.9177.2-68161.1-163.31700112.5E113 H114 H115 R121E113-K117 WeakPolarHBondContact O-CB 3.46Å; E113-K117 WeakPolarHBondContact O-CD 3.48Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.38Å; E113-K117 IonicContact OE2-NZ 2.59Å; E113-K117 PolarHBondContact OE2-NZ 3.39Å; H114-K117 PolarHBondContact O-N 3.48Å; H115-K117 PolarHBondContact O-N 3.41Å; K117-R121 WeakPolarHBondContact O-CD 3.2Å; K117-R121 VanDerWaalsContact O-CG 3.25Å; K117-R121 WeakPolarHBondContact O-CG 3.37Å; K117-R121 PolarHBondContact O-N 2.98Å
118A96.1Very high95.8Very high52 Ų52109.3 Ų109.343%0.4351%0.511SS..Hα-helixtrans-72.9-41.5173.400000112.1H114 H115 V116 R121 Y122H114-A118 WeakPolarHBondContact O-CB 3.28Å; H114-A118 PolarHBondContact O-N 3.1Å; H115-A118 WeakPolarHBondContact O-CB 3.43Å; H115-A118 PolarHBondContact O-N 2.91Å; V116-A118 VanDerWaalsContact C-N 3.27Å; V116-A118 PolarHBondContact O-N 2.83Å; A118-R121 PolarHBondContact O-N 3.06Å; A118-Y122 WeakPolarHBondContact O-CB 3.41Å; A118-Y122 PolarHBondContact O-N 3.43Å
119E96.4Very high96.1Very high97 Ų97109.6 Ų109.645%0.45351%0.51SS..Hα-helixtrans-61.2-41.9173.1-88.3-149.7-129.200112.5H115 V116 Y122 R123H115-E119 PolarHBondContact O-N 2.87Å; V116-E119 WeakPolarHBondContact O-CB 3.3Å; V116-E119 PolarHBondContact O-N 3.28Å; V116-E119 VanDerWaalsContact O-N 3.17Å; E119-Y122 PolarHBondContact O-N 3.35Å; E119-R123 WeakPolarHBondContact O-CB 3.39Å; E119-R123 WeakPolarHBondContact O-CD 3.42Å; E119-R123 WeakPolarHBondContact O-CG 3.47Å; E119-R123 PolarHBondContact O-N 3.16Å; E119-R123 IonicContact OE2-CZ 4Å; E119-R123 VanDerWaalsContact OE2-CZ 3.26Å; E119-R123 IonicContact OE2-NE 3.91Å; E119-R123 PolarHBondContact OE2-NE 2.85Å; E119-R123 VanDerWaalsContact OE2-NE 3.15Å; E119-R123 IonicContact OE2-NH2 3.65Å; E119-R123 PolarHBondContact OE2-NH2 3.13Å
120E97Very high96.3Very high104 Ų104110.7 Ų110.749%0.48651%0.513SS..Hα-helixtrans-59.5-51176-72.8-179.7146.800111.3V116 Y122 R123 E124V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.32Å; E120-Y122 VanDerWaalsContact C-N 3.29Å; E120-Y122 PolarHBondContact O-N 2.85Å; E120-R123 PolarHBondContact O-N 3.02Å; E120-R123 VanDerWaalsContact O-N 3.16Å; E120-E124 WeakPolarHBondContact O-CG 3.37Å; E120-E124 PolarHBondContact O-N 3.2Å
121R97.4Very high96.5Very high179 Ų179107.7 Ų107.768%0.67551%0.507SS*.Hα-helixtrans-56.7-40.8174.7-69167.1-174.6178.71.8112.3K117 A118 E124 A125K117-R121 WeakPolarHBondContact O-CD 3.2Å; K117-R121 VanDerWaalsContact O-CG 3.25Å; K117-R121 WeakPolarHBondContact O-CG 3.37Å; K117-R121 PolarHBondContact O-N 2.98Å; A118-R121 PolarHBondContact O-N 3.06Å; R121-E124 PolarHBondContact O-N 2.86Å; R121-A125 WeakPolarHBondContact O-CB 3.4Å; R121-A125 PolarHBondContact O-N 3.17Å
122Y96.9Very high96.7Very high151 Ų151107 Ų10759%0.59250%0.504SS*.Hα-helixtrans-66-45.5176.1172.9-115.9000112.3A118 E119 E120 E124 A125 L126A118-Y122 WeakPolarHBondContact O-CB 3.41Å; A118-Y122 PolarHBondContact O-N 3.43Å; E119-Y122 PolarHBondContact O-N 3.35Å; E120-Y122 VanDerWaalsContact C-N 3.29Å; E120-Y122 PolarHBondContact O-N 2.85Å; Y122-E124 PolarHBondContact O-N 2.85Å; Y122-A125 PolarHBondContact O-N 3.11Å; Y122-L126 HydrophobicContact CD1-CD1 4.28Å; Y122-L126 HydrophobicContact CD2-CG 4.36Å; Y122-L126 HydrophobicContact CE1-CD1 3.71Å; Y122-L126 HydrophobicContact CE1-CG 4.47Å; Y122-L126 HydrophobicContact CE2-CD1 4.05Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 3.97Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 2.83Å
123R97.8Very high96.9Very high137 Ų137106.6 Ų106.652%0.51750%0.5SS..Hα-helixtrans-61.4-33175.6-67.9160-175.5-162.92.1111.3E119 E120 K127E119-R123 WeakPolarHBondContact O-CB 3.39Å; E119-R123 WeakPolarHBondContact O-CD 3.42Å; E119-R123 WeakPolarHBondContact O-CG 3.47Å; E119-R123 PolarHBondContact O-N 3.16Å; E119-R123 IonicContact OE2-CZ 4Å; E119-R123 VanDerWaalsContact OE2-CZ 3.26Å; E119-R123 IonicContact OE2-NE 3.91Å; E119-R123 PolarHBondContact OE2-NE 2.85Å; E119-R123 VanDerWaalsContact OE2-NE 3.15Å; E119-R123 IonicContact OE2-NH2 3.65Å; E119-R123 PolarHBondContact OE2-NH2 3.13Å; E120-R123 PolarHBondContact O-N 3.02Å; E120-R123 VanDerWaalsContact O-N 3.16Å; R123-K127 WeakPolarHBondContact O-CG 3.41Å; R123-K127 PolarHBondContact O-N 3.49Å
124E97.3Very high96.8Very high112 Ų112104.8 Ų104.852%0.52350%0.496SS..Hα-helixtrans-74.2-49173.9-70.4-17414900112.7E120 R121 Y122 L126 K127 E128E120-E124 WeakPolarHBondContact O-CG 3.37Å; E120-E124 PolarHBondContact O-N 3.2Å; R121-E124 PolarHBondContact O-N 2.86Å; Y122-E124 PolarHBondContact O-N 2.85Å; E124-L126 PolarHBondContact O-N 2.9Å; E124-K127 WeakPolarHBondContact O-CA 3.42Å; E124-K127 WeakPolarHBondContact O-CB 3.34Å; E124-K127 PolarHBondContact O-N 2.88Å; E124-E128 PolarHBondContact O-N 3.19Å
125A97.6Very high96.9Very high51 Ų51104.2 Ų104.242%0.42149%0.492SS..Hα-helixtrans-55.2-36.8174.200000112.2R121 Y122 E128 L129R121-A125 WeakPolarHBondContact O-CB 3.4Å; R121-A125 PolarHBondContact O-N 3.17Å; Y122-A125 PolarHBondContact O-N 3.11Å; A125-E128 PolarHBondContact O-N 3.2Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 3.23Å
126L97.1Very high96.8Very high62 Ų62102.1 Ų102.133%0.32548%0.483SS..Hα-helixtrans-66.2-32.9172.4-75.2-178.7000113.9Y122 E124 K130Y122-L126 HydrophobicContact CD1-CD1 4.28Å; Y122-L126 HydrophobicContact CD2-CG 4.36Å; Y122-L126 HydrophobicContact CE1-CD1 3.71Å; Y122-L126 HydrophobicContact CE1-CG 4.47Å; Y122-L126 HydrophobicContact CE2-CD1 4.05Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 3.97Å; Y122-L126 WeakPolarHBondContact O-CG 3.43Å; Y122-L126 PolarHBondContact O-N 2.83Å; E124-L126 PolarHBondContact O-N 2.9Å; L126-K130 WeakPolarHBondContact O-CD 3.39Å; L126-K130 VanDerWaalsContact O-CG 3.25Å; L126-K130 WeakPolarHBondContact O-CG 3.25Å; L126-K130 PolarHBondContact O-N 3.02Å
127K97.6Very high96.6Very high121 Ų121102.7 Ų102.753%0.52648%0.48SS..Hα-helixtrans-69.4-46.9172.5-64.3162.7-162164.90109.7R123 E124 K130 I131R123-K127 WeakPolarHBondContact O-CG 3.41Å; R123-K127 PolarHBondContact O-N 3.49Å; E124-K127 WeakPolarHBondContact O-CA 3.42Å; E124-K127 WeakPolarHBondContact O-CB 3.34Å; E124-K127 PolarHBondContact O-N 2.88Å; K127-K130 WeakPolarHBondContact O-CB 3.29Å; K127-K130 PolarHBondContact O-N 3Å; K127-I131 WeakPolarHBondContact O-CG1 3.4Å; K127-I131 PolarHBondContact O-N 2.95Å
128E96.8Very high96.5Very high122 Ų122105.1 Ų105.157%0.5749%0.493SS*.Hα-helixtrans-61.3-46.3178.8-65-153.9140.500112.1E124 A125 K130 I131 Q132E124-E128 PolarHBondContact O-N 3.19Å; A125-E128 PolarHBondContact O-N 3.2Å; E128-K130 VanDerWaalsContact C-N 3.29Å; E128-K130 PolarHBondContact O-N 2.98Å; E128-I131 CarbonylContact O-C 3.53Å; E128-I131 WeakPolarHBondContact O-CA 3.4Å; E128-I131 WeakPolarHBondContact O-CB 3.45Å; E128-I131 PolarHBondContact O-N 3.08Å; E128-Q132 WeakPolarHBondContact O-CG 3.49Å; E128-Q132 PolarHBondContact O-N 3.48Å
129L97Very high96.3Very high75 Ų75111.5 Ų111.539%0.39351%0.506SS..Hα-helixtrans-60.6-37177.7-176.9154.1000112A125 K133A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 3.23Å; L129-K133 HydrophobicContact CD2-CD 3.88Å; L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 WeakPolarHBondContact O-CG 3.35Å; L129-K133 PolarHBondContact O-N 3.11Å
130K97.5Very high96Very high143 Ų143113.2 Ų113.262%0.62251%0.514SS*.Hα-helixtrans-64.1-43.9171.3-74.3169.3-176.4176.70111.5L126 K127 E128 K133 T134L126-K130 WeakPolarHBondContact O-CD 3.39Å; L126-K130 VanDerWaalsContact O-CG 3.25Å; L126-K130 WeakPolarHBondContact O-CG 3.25Å; L126-K130 PolarHBondContact O-N 3.02Å; K127-K130 WeakPolarHBondContact O-CB 3.29Å; K127-K130 PolarHBondContact O-N 3Å; E128-K130 VanDerWaalsContact C-N 3.29Å; E128-K130 PolarHBondContact O-N 2.98Å; K130-K133 PolarHBondContact O-N 3.36Å; K130-T134 PolarHBondContact O-N 3.26Å; K130-T134 PolarHBondContact O-OG1 3.27Å
131I97.1Very high95.9Very high80 Ų80112.8 Ų112.841%0.4151%0.51SS..Hα-helixtrans-67.2-34.8178.1-67.8163.9000111.9K127 E128 T134 K135K127-I131 WeakPolarHBondContact O-CG1 3.4Å; K127-I131 PolarHBondContact O-N 2.95Å; E128-I131 CarbonylContact O-C 3.53Å; E128-I131 WeakPolarHBondContact O-CA 3.4Å; E128-I131 WeakPolarHBondContact O-CB 3.45Å; E128-I131 PolarHBondContact O-N 3.08Å; I131-T134 PolarHBondContact O-OG1 2.87Å; I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 VanDerWaalsContact CG2-CE 3.45Å; I131-K135 WeakPolarHBondContact O-CB 3.26Å; I131-K135 WeakPolarHBondContact O-CD 3.29Å; I131-K135 WeakPolarHBondContact O-CG 3.46Å; I131-K135 PolarHBondContact O-N 2.84Å; I131-K135 VanDerWaalsContact O-N 3.11Å
132Q95.8Very high95.7Very high104 Ų104113.8 Ų113.849%0.48651%0.514SS..Hα-helixtrans-66.1-49.4173.4-70.217316.600110.1E128 T134 K135 E136E128-Q132 WeakPolarHBondContact O-CG 3.49Å; E128-Q132 PolarHBondContact O-N 3.48Å; Q132-T134 VanDerWaalsContact C-N 3.34Å; Q132-T134 PolarHBondContact O-N 3.49Å; Q132-K135 PolarHBondContact O-N 2.84Å; Q132-E136 WeakPolarHBondContact O-CG 3.25Å; Q132-E136 PolarHBondContact O-N 3.18Å
133K97Very high95.5Very high120 Ų120110.5 Ų110.552%0.52251%0.513SS..Hα-helixtrans-60.2-36.2177.2-74.7-178.4179.2-179.40113.6L129 K130 Q137L129-K133 HydrophobicContact CD2-CD 3.88Å; L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 WeakPolarHBondContact O-CG 3.35Å; L129-K133 PolarHBondContact O-N 3.11Å; K130-K133 PolarHBondContact O-N 3.36Å; K133-Q137 WeakPolarHBondContact O-CG 3.33Å; K133-Q137 PolarHBondContact O-N 3.05Å
134T95Very high95.2Very high71 Ų71108.3 Ų108.344%0.43651%0.511SS..Hα-helixtrans-69-47173.554.30000111.7K130 I131 Q132 E136 Q137 E138K130-T134 PolarHBondContact O-N 3.26Å; K130-T134 PolarHBondContact O-OG1 3.27Å; I131-T134 PolarHBondContact O-OG1 2.87Å; Q132-T134 VanDerWaalsContact C-N 3.34Å; Q132-T134 PolarHBondContact O-N 3.49Å; T134-E136 VanDerWaalsContact C-N 3.27Å; T134-E136 PolarHBondContact O-N 3.32Å; T134-Q137 PolarHBondContact O-N 3.4Å; T134-E138 WeakPolarHBondContact O-CG 3.42Å; T134-E138 PolarHBondContact O-N 2.94Å
135K96.3Very high95Very high111 Ų111107.1 Ų107.148%0.48351%0.508SS..Hα-helixtrans-57.3-37.6174.9-73168.2-179.3172.40112.5I131 Q132 R139I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 VanDerWaalsContact CG2-CE 3.45Å; I131-K135 WeakPolarHBondContact O-CB 3.26Å; I131-K135 WeakPolarHBondContact O-CD 3.29Å; I131-K135 WeakPolarHBondContact O-CG 3.46Å; I131-K135 PolarHBondContact O-N 2.84Å; I131-K135 VanDerWaalsContact O-N 3.11Å; Q132-K135 PolarHBondContact O-N 2.84Å; K135-R139 WeakPolarHBondContact O-CB 3.45Å; K135-R139 WeakPolarHBondContact O-CD 3.31Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.23Å
136E94.6Very high94.9Very high92 Ų92107.6 Ų107.643%0.4351%0.512SS..Hα-helixtrans-68-47.2175.1-74.8172.9171.700112.4Q132 T134 E138 R139 Q140Q132-E136 WeakPolarHBondContact O-CG 3.25Å; Q132-E136 PolarHBondContact O-N 3.18Å; T134-E136 VanDerWaalsContact C-N 3.27Å; T134-E136 PolarHBondContact O-N 3.32Å; E136-E138 VanDerWaalsContact C-N 3.27Å; E136-E138 PolarHBondContact O-N 3.38Å; E136-R139 WeakPolarHBondContact O-CB 3.49Å; E136-R139 PolarHBondContact O-N 2.92Å; E136-Q140 WeakPolarHBondContact O-CG 3.28Å; E136-Q140 PolarHBondContact O-N 3.38Å
137Q93.8Very high94.8Very high94 Ų94113.4 Ų113.444%0.43953%0.529SS..Hα-helixtrans-60.7-37.4174.1-75.7-171.934.300112.1K133 T134 K141K133-Q137 WeakPolarHBondContact O-CG 3.33Å; K133-Q137 PolarHBondContact O-N 3.05Å; T134-Q137 PolarHBondContact O-N 3.4Å; Q137-K141 VanDerWaalsContact O-CB 3.23Å; Q137-K141 WeakPolarHBondContact O-CB 3.36Å; Q137-K141 VanDerWaalsContact O-CD 3.32Å; Q137-K141 WeakPolarHBondContact O-CD 3.23Å; Q137-K141 WeakPolarHBondContact O-CG 3.36Å; Q137-K141 PolarHBondContact O-N 2.91Å
138E94.3Very high94.7Very high130 Ų130113.4 Ų113.461%0.60753%0.529SS*.Hα-helixtrans-64.2-46.7173.5-75.2171.9-173.900111.7T134 E136 Q140 K141 R142T134-E138 WeakPolarHBondContact O-CG 3.42Å; T134-E138 PolarHBondContact O-N 2.94Å; E136-E138 VanDerWaalsContact C-N 3.27Å; E136-E138 PolarHBondContact O-N 3.38Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.13Å; E138-K141 PolarHBondContact O-N 3.02Å; E138-R142 WeakPolarHBondContact O-CB 3.48Å; E138-R142 PolarHBondContact O-N 3.32Å
139R92.8Very high94.6Very high186 Ų186114.5 Ų114.570%0.70253%0.532SS*.Hα-helixtrans-56-46.9174.4-74.4163.9176.9-172.5-2.3111.5K135 E136 R142K135-R139 WeakPolarHBondContact O-CB 3.45Å; K135-R139 WeakPolarHBondContact O-CD 3.31Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.23Å; E136-R139 WeakPolarHBondContact O-CB 3.49Å; E136-R139 PolarHBondContact O-N 2.92Å; R139-R142 WeakPolarHBondContact O-CB 3.47Å; R139-R142 PolarHBondContact O-N 3.45Å
140Q90Very high94.5Very high133 Ų133113.6 Ų113.662%0.62154%0.535SS*.Hα-helixtrans-63.4-46.7176.2-69.8172.42.600112.1E136 E138 R142 S143E136-Q140 WeakPolarHBondContact O-CG 3.28Å; E136-Q140 PolarHBondContact O-N 3.38Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.13Å; Q140-R142 VanDerWaalsContact C-N 3.28Å; Q140-R142 PolarHBondContact O-N 3.12Å; Q140-S143 PolarHBondContact O-OG 2.94Å
141K94.1Very high94.4Very high95 Ų95111.8 Ų111.841%0.41353%0.532SS..Hα-helixtrans-71.1-19.9-179.4-68.4164.5-165.7172.30112.7Q137 E138 S143 I144 N145Q137-K141 VanDerWaalsContact O-CB 3.23Å; Q137-K141 WeakPolarHBondContact O-CB 3.36Å; Q137-K141 VanDerWaalsContact O-CD 3.32Å; Q137-K141 WeakPolarHBondContact O-CD 3.23Å; Q137-K141 WeakPolarHBondContact O-CG 3.36Å; Q137-K141 PolarHBondContact O-N 2.91Å; E138-K141 PolarHBondContact O-N 3.02Å; K141-S143 PolarHBondContact O-N 2.86Å; K141-I144 PolarHBondContact O-N 2.93Å; K141-N145 VanDerWaalsContact O-CB 3.32Å; K141-N145 WeakPolarHBondContact O-CB 3.21Å; K141-N145 VanDerWaalsContact O-CG 3.25Å; K141-N145 PolarHBondContact O-N 3Å
142R94.1Very high94.3Very high199 Ų199113.6 Ų113.675%0.75154%0.538SS*.Hα-helixtrans-57.6-46-176.6-169.1174.6-177.3176.10.9113E138 R139 Q140 A146E138-R142 WeakPolarHBondContact O-CB 3.48Å; E138-R142 PolarHBondContact O-N 3.32Å; R139-R142 WeakPolarHBondContact O-CB 3.47Å; R139-R142 PolarHBondContact O-N 3.45Å; Q140-R142 VanDerWaalsContact C-N 3.28Å; Q140-R142 PolarHBondContact O-N 3.12Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 2.94Å
143S92Very high94.3Very high83 Ų83111.4 Ų111.458%0.5853%0.533SS*.Hα-helixtrans-68.6-42.517959.50000112Q140 K141 N145 A146 R147Q140-S143 PolarHBondContact O-OG 2.94Å; K141-S143 PolarHBondContact O-N 2.86Å; S143-N145 PolarHBondContact O-N 3.43Å; S143-A146 PolarHBondContact O-N 3.22Å; S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.31Å
144I90.8Very high94.1Very high91 Ų91110 Ų11047%0.46753%0.528SS..Hα-helixtrans-61.4-45.3176.5-61.6170.1000110.4K141 R147 K148K141-I144 PolarHBondContact O-N 2.93Å; I144-R147 PolarHBondContact O-N 2.98Å; I144-K148 HydrophobicContact CG2-CD 4.28Å; I144-K148 WeakPolarHBondContact O-CB 3.46Å; I144-K148 WeakPolarHBondContact O-CG 3.35Å; I144-K148 PolarHBondContact O-N 2.87Å
145N94.4Very high94.1Very high87 Ų87113.6 Ų113.647%0.46554%0.537SS..Hα-helixtrans-70.9-37.7179.9-70.5-12000112.1K141 S143 K148 K149K141-N145 VanDerWaalsContact O-CB 3.32Å; K141-N145 WeakPolarHBondContact O-CB 3.21Å; K141-N145 VanDerWaalsContact O-CG 3.25Å; K141-N145 PolarHBondContact O-N 3Å; S143-N145 PolarHBondContact O-N 3.43Å; N145-K148 PolarHBondContact O-N 2.59Å; N145-K149 WeakPolarHBondContact O-CB 3.38Å; N145-K149 PolarHBondContact O-N 3.04Å
146A94.8Very high94Very high60 Ų60113.6 Ų113.650%0.49654%0.539SS..Hα-helixtrans-61.4-45.2171.300000111.6R142 S143 K149 A150R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 2.94Å; S143-A146 PolarHBondContact O-N 3.22Å; A146-K149 PolarHBondContact O-N 3.33Å; A146-A150 WeakPolarHBondContact O-CB 3.3Å; A146-A150 PolarHBondContact O-N 3.48Å
147R94.5Very high94Very high185 Ų185116.2 Ų116.270%0.69855%0.545SS*.Hα-helixtrans-62.1-43.1174.7-175.4178.3177.9-173.7-0.2112S143 I144 A150 L151S143-R147 WeakPolarHBondContact O-CB 3.43Å; S143-R147 PolarHBondContact O-N 3.31Å; I144-R147 PolarHBondContact O-N 2.98Å; R147-A150 PolarHBondContact O-N 3.39Å; R147-L151 HydrophobicContact CG-CD1 4.04Å; R147-L151 HydrophobicContact CG-CG 4.48Å; R147-L151 WeakPolarHBondContact O-CB 3.37Å; R147-L151 VanDerWaalsContact O-CG 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.25Å; R147-L151 PolarHBondContact O-N 3.13Å
148K95.6Very high93.8Very high120 Ų120114.6 Ų114.652%0.52254%0.544SS..Hα-helixtrans-59.4-45.9174.5-76.9174.4178.6179.30111.6I144 N145 L151 Q152I144-K148 HydrophobicContact CG2-CD 4.28Å; I144-K148 WeakPolarHBondContact O-CB 3.46Å; I144-K148 WeakPolarHBondContact O-CG 3.35Å; I144-K148 PolarHBondContact O-N 2.87Å; N145-K148 PolarHBondContact O-N 2.59Å; K148-L151 PolarHBondContact O-N 3.25Å; K148-Q152 WeakPolarHBondContact O-CG 3.26Å; K148-Q152 PolarHBondContact O-N 3Å
149K96.1Very high93.7Very high146 Ų146111.6 Ų111.664%0.63554%0.535SS*.Hα-helixtrans-63.2-43.2177.6-171174.5-178.6178.10112.1N145 A146 Q152 T153N145-K149 WeakPolarHBondContact O-CB 3.38Å; N145-K149 PolarHBondContact O-N 3.04Å; A146-K149 PolarHBondContact O-N 3.33Å; K149-Q152 WeakPolarHBondContact O-CB 3.25Å; K149-Q152 PolarHBondContact O-N 2.9Å; K149-T153 PolarHBondContact O-N 3.3Å; K149-T153 PolarHBondContact O-OG1 2.89Å
150A94.9Very high93.6Very high55 Ų55109.7 Ų109.746%0.45553%0.531SS..Hα-helixtrans-61.4-44.7174.900000112A146 R147 Q152 T153 E154A146-A150 WeakPolarHBondContact O-CB 3.3Å; A146-A150 PolarHBondContact O-N 3.48Å; R147-A150 PolarHBondContact O-N 3.39Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.27Å; A150-T153 WeakPolarHBondContact CA-OG1 3.25Å; A150-T153 PolarHBondContact O-N 3.21Å; A150-T153 PolarHBondContact O-OG1 3.45Å; A150-E154 WeakPolarHBondContact O-CB 3.42Å; A150-E154 PolarHBondContact O-N 3.48Å
151L94.8Very high93.5Very high105 Ų105107.9 Ų107.955%0.5553%0.529SS..Hα-helixtrans-64.7-32.6175.3-71.9170000112.9R147 K148 K155R147-L151 HydrophobicContact CG-CD1 4.04Å; R147-L151 HydrophobicContact CG-CG 4.48Å; R147-L151 WeakPolarHBondContact O-CB 3.37Å; R147-L151 VanDerWaalsContact O-CG 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.25Å; R147-L151 PolarHBondContact O-N 3.13Å; K148-L151 PolarHBondContact O-N 3.25Å; L151-K155 VanDerWaalsContact O-CB 3.32Å; L151-K155 WeakPolarHBondContact O-CB 3.36Å; L151-K155 PolarHBondContact O-N 2.97Å
152Q95.3Very high93Very high118 Ų118107.4 Ų107.455%0.55154%0.543SS*.Hα-helixtrans-65.7-49.7171.4-75.4168.8-41.700111K148 K149 A150 E154 K155 E156K148-Q152 WeakPolarHBondContact O-CG 3.26Å; K148-Q152 PolarHBondContact O-N 3Å; K149-Q152 WeakPolarHBondContact O-CB 3.25Å; K149-Q152 PolarHBondContact O-N 2.9Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.27Å; Q152-E154 VanDerWaalsContact C-N 3.25Å; Q152-E154 PolarHBondContact O-N 2.93Å; Q152-K155 WeakPolarHBondContact O-CB 3.4Å; Q152-K155 PolarHBondContact O-N 2.9Å; Q152-K155 VanDerWaalsContact O-N 3.11Å; Q152-E156 WeakPolarHBondContact O-CG 3.49Å; Q152-E156 PolarHBondContact O-N 3.49Å
153T95.6Very high92.6Very high59 Ų59108.3 Ų108.336%0.36255%0.547SS..Hα-helixtrans-62.3-32.2176.351.50000112.9K149 A150 E156 R157K149-T153 PolarHBondContact O-N 3.3Å; K149-T153 PolarHBondContact O-OG1 2.89Å; A150-T153 WeakPolarHBondContact CA-OG1 3.25Å; A150-T153 PolarHBondContact O-N 3.21Å; A150-T153 PolarHBondContact O-OG1 3.45Å; T153-E156 PolarHBondContact O-N 2.9Å; T153-R157 WeakPolarHBondContact O-CG 3.49Å; T153-R157 PolarHBondContact O-N 3.1Å
154E91.9Very high92.3Very high90 Ų90109.9 Ų109.942%0.42155%0.548SS..Hα-helixtrans-76.7-31.2175.3-158.355.3-132.900112.4A150 Q152 R157 S158A150-E154 WeakPolarHBondContact O-CB 3.42Å; A150-E154 PolarHBondContact O-N 3.48Å; Q152-E154 VanDerWaalsContact C-N 3.25Å; Q152-E154 PolarHBondContact O-N 2.93Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-R157 WeakPolarHBondContact OE2-CD 3.33Å; E154-R157 IonicContact OE2-CZ 2.77Å; E154-R157 IonicContact OE2-NE 3.99Å; E154-R157 IonicContact OE2-NH1 2.72Å; E154-R157 PolarHBondContact OE2-NH1 3.22Å; E154-S158 WeakPolarHBondContact O-CB 3.48Å; E154-S158 PolarHBondContact O-N 2.71Å; E154-S158 PolarHBondContact O-OG 3.47Å
155K95.4Very high91.9Very high147 Ų147111 Ų11164%0.63956%0.561SS**Hα-helixtrans-66.5-36.9168.5-171.8174.9-179.6179.60111.9L151 Q152 R157 S158 T159L151-K155 VanDerWaalsContact O-CB 3.32Å; L151-K155 WeakPolarHBondContact O-CB 3.36Å; L151-K155 PolarHBondContact O-N 2.97Å; Q152-K155 WeakPolarHBondContact O-CB 3.4Å; Q152-K155 PolarHBondContact O-N 2.9Å; Q152-K155 VanDerWaalsContact O-N 3.11Å; K155-R157 VanDerWaalsContact C-N 3.32Å; K155-S158 PolarHBondContact O-OG 2.9Å; K155-T159 HydrophobicContact CG-CG2 4.47Å; K155-T159 WeakPolarHBondContact O-CB 3.42Å; K155-T159 VanDerWaalsContact O-CG2 3.27Å; K155-T159 WeakPolarHBondContact O-CG2 3.36Å; K155-T159 PolarHBondContact O-N 3.2Å; K155-T159 PolarHBondContact O-OG1 3.15Å
156E94.9Very high91Very high111 Ų111112.5 Ų112.552%0.51958%0.576SS.*Hα-helixtrans-69.5-27.5173.3-72.1168.7-151.900113Q152 T153 T159 K160Q152-E156 WeakPolarHBondContact O-CG 3.49Å; Q152-E156 PolarHBondContact O-N 3.49Å; T153-E156 PolarHBondContact O-N 2.9Å; E156-T159 PolarHBondContact O-OG1 3.32Å; E156-K160 VanDerWaalsContact O-CD 3.26Å; E156-K160 WeakPolarHBondContact O-CD 3.15Å; E156-K160 WeakPolarHBondContact O-CE 3.45Å; E156-K160 VanDerWaalsContact O-CG 3.28Å; E156-K160 WeakPolarHBondContact O-CG 3.28Å
157R94.7Very high90.1Very high147 Ų147115 Ų11556%0.55559%0.587SS**Hα-helixtrans-75.6-52.5170.5-74.2162.5171.2-179.5-3.9111.3T153 E154 K155 T159 K160 V161T153-R157 WeakPolarHBondContact O-CG 3.49Å; T153-R157 PolarHBondContact O-N 3.1Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-R157 WeakPolarHBondContact OE2-CD 3.33Å; E154-R157 IonicContact OE2-CZ 2.77Å; E154-R157 IonicContact OE2-NE 3.99Å; E154-R157 IonicContact OE2-NH1 2.72Å; E154-R157 PolarHBondContact OE2-NH1 3.22Å; K155-R157 VanDerWaalsContact C-N 3.32Å; R157-T159 VanDerWaalsContact C-N 3.29Å; R157-T159 PolarHBondContact O-N 3.34Å; R157-K160 WeakPolarHBondContact O-CA 3.3Å; R157-K160 WeakPolarHBondContact O-CB 3.06Å; R157-K160 PolarHBondContact O-N 3.11Å; R157-V161 PolarHBondContact O-N 2.89Å
158S88.4Confident89.2Confident60 Ų60111.6 Ų111.642%0.4259%0.589SS.*Hα-helixtrans-64.5-31.9-177.866.50000112.8E154 K155 K160 V161 A162E154-S158 WeakPolarHBondContact O-CB 3.48Å; E154-S158 PolarHBondContact O-N 2.71Å; E154-S158 PolarHBondContact O-OG 3.47Å; K155-S158 PolarHBondContact O-OG 2.9Å; S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.45Å; S158-V161 PolarHBondContact O-N 3.41Å; S158-A162 VanDerWaalsContact O-CB 3.25Å; S158-A162 WeakPolarHBondContact O-CB 3.43Å; S158-A162 PolarHBondContact O-N 2.99Å
159T92Very high88.1Confident67 Ų67111.8 Ų111.841%0.41160%0.602SS.*Hα-helixtrans-72.2-15.917151.60000114.4K155 E156 R157 R163K155-T159 HydrophobicContact CG-CG2 4.47Å; K155-T159 WeakPolarHBondContact O-CB 3.42Å; K155-T159 VanDerWaalsContact O-CG2 3.27Å; K155-T159 WeakPolarHBondContact O-CG2 3.36Å; K155-T159 PolarHBondContact O-N 3.2Å; K155-T159 PolarHBondContact O-OG1 3.15Å; E156-T159 PolarHBondContact O-OG1 3.32Å; R157-T159 VanDerWaalsContact C-N 3.29Å; R157-T159 PolarHBondContact O-N 3.34Å; T159-R163 WeakPolarHBondContact O-CD 3.35Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.2Å; T159-R163 PolarHBondContact O-NE 3.26Å
160K91.4Very high86.4Confident145 Ų145111.4 Ų111.463%0.6361%0.607SS**Hα-helixtrans-83.1-40.7166.8-68165.5-172.8171.50111E156 R157 S158 R163E156-K160 VanDerWaalsContact O-CD 3.26Å; E156-K160 WeakPolarHBondContact O-CD 3.15Å; E156-K160 WeakPolarHBondContact O-CE 3.45Å; E156-K160 VanDerWaalsContact O-CG 3.28Å; E156-K160 WeakPolarHBondContact O-CG 3.28Å; R157-K160 WeakPolarHBondContact O-CA 3.3Å; R157-K160 WeakPolarHBondContact O-CB 3.06Å; R157-K160 PolarHBondContact O-N 3.11Å; S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.45Å; K160-R163 PolarHBondContact O-N 2.93Å
161V87.4Confident85.1Confident95 Ų95114.8 Ų114.858%0.57663%0.625SS**Hα-helixtrans-65.4-42.8176176.50000111.7R157 S158 R163 L164R157-V161 PolarHBondContact O-N 2.89Å; S158-V161 PolarHBondContact O-N 3.41Å; V161-R163 PolarHBondContact O-N 3.41Å; V161-R163 VanDerWaalsContact O-N 3.09Å; V161-L164 HydrophobicContact CG1-CD1 4.39Å; V161-L164 WeakPolarHBondContact O-CB 3.29Å; V161-L164 VanDerWaalsContact O-CG 3.28Å; V161-L164 WeakPolarHBondContact O-CG 3.47Å; V161-L164 PolarHBondContact O-N 2.83Å
162A84.3Confident83.4Confident86 Ų86116.8 Ų116.871%0.71163%0.634SS**THydrogen-bonded Turntrans-71.41.2177.900000114.5S158S158-A162 VanDerWaalsContact O-CB 3.25Å; S158-A162 WeakPolarHBondContact O-CB 3.43Å; S158-A162 PolarHBondContact O-N 2.99Å
163R86.4Confident81.7Confident217 Ų217119.3 Ų119.382%0.81965%0.646SS**THydrogen-bonded Turntrans-95.6-3.2167.7-70.2171.7-179.3-153.8-1.5112.7T159 K160 V161T159-R163 WeakPolarHBondContact O-CD 3.35Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.2Å; T159-R163 PolarHBondContact O-NE 3.26Å; K160-R163 PolarHBondContact O-N 2.93Å; V161-R163 PolarHBondContact O-N 3.41Å; V161-R163 VanDerWaalsContact O-N 3.09Å
164L84.1Confident79.7Confident116 Ų116124.8 Ų124.861%0.60767%0.673SS**SBendtrans-76152.4168-58174.6000109.6V161V161-L164 HydrophobicContact CG1-CD1 4.39Å; V161-L164 WeakPolarHBondContact O-CB 3.29Å; V161-L164 VanDerWaalsContact O-CG 3.28Å; V161-L164 WeakPolarHBondContact O-CG 3.47Å; V161-L164 PolarHBondContact O-N 2.83Å
165P82.1Confident78.2Confident114 Ų114127.3 Ų127.374%0.7469%0.688SS**PPolyproline II helixtrans-61.6143.5172.727-34.8000110.9
166P76.5Confident76.2Confident120 Ų120127.6 Ų127.678%0.77970%0.697SS**PPolyproline II helixtrans-67.1144.2179.528.1-34.6000111.3
167P75.1Confident74.6Confident112 Ų112128 Ų12873%0.72771%0.708SS**PPolyproline II helixtrans-67.8159171.830.6-35.2000111.3
168P75.3Confident72.6Confident114 Ų114132.5 Ų132.574%0.7473%0.726SS**PPolyproline II helixtrans-62.6148.6172.928.2-35.2000111.4
169P72.8Confident71.1Confident124 Ų124139.7 Ų139.781%0.80575%0.749SS**PPolyproline II helixtrans-76.1140.9-175.830.2-35.1000113.2
170D62.1Low69.4Low138 Ų138141.8 Ų141.874%0.73877%0.767SS**PPolyproline II helixtrans-74133.9176-70.8-49.6000112I172D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.97Å
171P66.1Low67.4Low126 Ų126143.5 Ų143.582%0.81878%0.777SS**SBendtrans-84.327.3-161.834.3-39.1000116.4
172I60.4Low65.8Low146 Ų146147.4 Ų147.475%0.74979%0.791SS**  trans-144.174.2-178.1-42.9177.2000112.5D170D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.97Å
173Q57.7Low64.2Low172 Ų172149.3 Ų149.380%0.80479%0.793SS**  trans-139.431.7173.1-67.7-162.919.700116I175Q173-I175 PolarHBondContact O-N 3.44Å
174D54.5Low63Low174 Ų174148.5 Ų148.593%0.9380%0.796SS**  trans-88.370.3164.4-75.6-43.6000111.2
175I60.6Low61.6Low142 Ų142154.2 Ų154.273%0.72881%0.809SS**  trans-137.9109.6171.2-54.9179.9000109.7Q173 P177Q173-I175 PolarHBondContact O-N 3.44Å; I175-P177 WeakPolarHBondContact O-CD 3.49Å
176D54Low60.4Low154 Ų154153.7 Ų153.782%0.82481%0.809SS**  trans-57.1119.2171.9-85.1-44.7000111.2R178D176-R178 PolarHBondContact O-N 3.18Å
177P60.6Low59.7Low118 Ų118154.5 Ų154.577%0.76681%0.806SS**  trans-70.2104.9176.727.5-32.8000110I175 K179I175-P177 WeakPolarHBondContact O-CD 3.49Å; P177-K179 PolarHBondContact O-N 3.45Å
178R53.2Low59.1Low243 Ų243156.8 Ų156.892%0.91781%0.811SS**  trans-51.1125.5174.9-73.5-176.2173.7-173.6-1.6110.5D176 S180D176-R178 PolarHBondContact O-N 3.18Å; R178-S180 PolarHBondContact O-N 3.15Å; R178-S180 VanDerWaalsContact O-N 3.12Å
179K56.8Low58.4Low210 Ų210158 Ų15891%0.91381%0.811SS**  trans-56.6115.4177.6-63.5176.4-177174.60110P177P177-K179 PolarHBondContact O-N 3.45Å
180S56Low57.7Low112 Ų112155.8 Ų155.878%0.78380%0.804SS**  trans-70.3140.7174.949.20000110.6R178 M182R178-S180 PolarHBondContact O-N 3.15Å; R178-S180 VanDerWaalsContact O-N 3.12Å; S180-M182 PolarHBondContact O-N 3.31Å
181H49.8Very low57.3Low180 Ų180156.7 Ų156.783%0.83380%0.801SS**  trans-74.3112.4-171.9-149.8-54.5000110.3V183H181-V183 PolarHBondContact O-N 3.34Å; H181-V183 VanDerWaalsContact O-N 3.14Å
182M53.5Low56.9Low177 Ų177153.6 Ų153.687%0.87279%0.787SS**  trans-65.3115.2169.7-84.318061.800109.4S180S180-M182 PolarHBondContact O-N 3.31Å
183V51.5Low56.8Low126 Ų126151.2 Ų151.276%0.76479%0.789SS**PPolyproline II helixtrans-78.2123.8169177.90000108H181 R185H181-V183 PolarHBondContact O-N 3.34Å; H181-V183 VanDerWaalsContact O-N 3.14Å; V183-R185 PolarHBondContact O-N 2.89Å
184K60.5Low56.9Low201 Ų201147.4 Ų147.487%0.87478%0.777SS**PPolyproline II helixtrans-63.7125.3169.8-69.8-176.2176.6-1760108.6
185R55.4Low56.8Low235 Ų235147.5 Ų147.589%0.88777%0.772SS**PPolyproline II helixtrans-72142.4164.7-69.4-177.3173.4-176.4-3.7108.3V183V183-R185 PolarHBondContact O-N 2.89Å
186S55.6Low56.4Low104 Ų104150.9 Ų150.973%0.72778%0.777SS**PPolyproline II helixtrans-65.7147.8177.538.70000111.7
187D62.8Low56.5Low136 Ų136149.3 Ų149.373%0.72776%0.764SS**PPolyproline II helixtrans-67.2133.4-176.9-60.7-68000111.9N189 A190D187-N189 PolarHBondContact O-N 2.9Å; D187-N189 VanDerWaalsContact O-N 3.12Å; D187-A190 WeakPolarHBondContact O-CB 3.44Å; D187-A190 PolarHBondContact O-N 3.08Å
188L62.1Low56.2Low160 Ų160151.2 Ų151.284%0.83877%0.765SS**G310 helixtrans-62.1-23.6-173-66.6168000113.4A190L188-A190 PolarHBondContact O-N 3.4Å
189N59.8Low56Low139 Ų139144.6 Ų144.674%0.74375%0.753SS**G310 helixtrans-70.4-10.6-179.9-70.910.9000114D187 F191 A192D187-N189 PolarHBondContact O-N 2.9Å; D187-N189 VanDerWaalsContact O-N 3.12Å; N189-F191 PolarHBondContact O-N 2.98Å; N189-A192 WeakPolarHBondContact O-CB 3.29Å; N189-A192 PolarHBondContact O-N 3.08Å; N189-A192 VanDerWaalsContact O-N 3.15Å
190A58.5Low55.7Low78 Ų78144 Ų14465%0.64575%0.754SS**G310 helixtrans-61.4-16.3-179.600000114.5D187 L188D187-A190 WeakPolarHBondContact O-CB 3.44Å; D187-A190 PolarHBondContact O-N 3.08Å; L188-A190 PolarHBondContact O-N 3.4Å
191F53.7Low55.4Low157 Ų157143.1 Ų143.169%0.68975%0.748SS**G310 helixtrans-96.3-7.2179.6-67.8-81.3000114.6N189 A193N189-F191 PolarHBondContact O-N 2.98Å; F191-A193 PolarHBondContact O-N 3.22Å
192A58.2Low55.2Low61 Ų61139.3 Ų139.350%0.50475%0.748SS.*THydrogen-bonded Turntrans-71.64.4-173.800000115.1N189 H197N189-A192 WeakPolarHBondContact O-CB 3.29Å; N189-A192 PolarHBondContact O-N 3.08Å; N189-A192 VanDerWaalsContact O-N 3.15Å; A192-H197 PolarHBondContact O-CD2 3.12Å
193A57.2Low54.7Low97 Ų97136 Ų13680%0.80274%0.737SS**THydrogen-bonded Turntrans-124.942.2-172.100000112.6F191F191-A193 PolarHBondContact O-N 3.22Å
194T60.3Low54.3Low91 Ų91138.9 Ų138.956%0.55874%0.742SS**SBendtrans-113.1153.2174.556.90000112Y196 H197T194-Y196 PolarHBondContact O-N 3.43Å; T194-H197 PolarHBondContact O-N 3.02Å; T194-H197 VanDerWaalsContact O-N 3.15Å
195H53.2Low54.1Low177 Ų177137.7 Ų137.782%0.81974%0.737SS**THydrogen-bonded Turntrans-63.52.9-163.4-162.7-68.5000116.2
196Y52.5Low53.9Low213 Ų213135.9 Ų135.984%0.83574%0.739SS**THydrogen-bonded Turntrans-123.321.2178.3-66.5-73.5000113.5T194 M198T194-Y196 PolarHBondContact O-N 3.43Å; Y196-M198 PolarHBondContact O-N 2.81Å; Y196-M198 VanDerWaalsContact O-N 3.15Å
197H55.1Low53.6Low120 Ų120135 Ų13556%0.55673%0.725SS**  trans-67.2110.1162.4-102.5-76.8000110.4A192 T194A192-H197 PolarHBondContact O-CD2 3.12Å; T194-H197 PolarHBondContact O-N 3.02Å; T194-H197 VanDerWaalsContact O-N 3.15Å
198M53.9Low53.3Low158 Ų158134.9 Ų134.978%0.77872%0.721SS**  trans-53.7129.8156.3-75.2-70.8-73.300108.1Y196 E200Y196-M198 PolarHBondContact O-N 2.81Å; Y196-M198 VanDerWaalsContact O-N 3.15Å; M198-E200 PolarHBondContact O-N 3.14Å
199P49.6Very low53.1Low104 Ų104130.6 Ų130.668%0.67571%0.708SS**  trans-72.598.217928.3-33.1000109.7S201P199-S201 PolarHBondContact O-N 2.98Å
200E50.5Low53.1Low198 Ų198127 Ų12793%0.92570%0.698SS**THydrogen-bonded Turntrans-71.163.3169.2-73.2-165.6165.300111.5M198M198-E200 PolarHBondContact O-N 3.14Å
201S49.9Very low53.1Low93 Ų93127.2 Ų127.265%0.6569%0.685SS**THydrogen-bonded Turntrans-153.243.4154.757.60000112P199 V203P199-S201 PolarHBondContact O-N 2.98Å; S201-V203 PolarHBondContact O-N 2.86Å
202A44.7Very low53.4Low101 Ų101122.6 Ų122.684%0.83567%0.67SS**  trans-65.950.3140.500000110.3E204A202-E204 PolarHBondContact O-N 3.22Å
203V44.6Very low53.9Low108 Ų108128.1 Ų128.166%0.65568%0.678SS**  trans-71.6108.1161.4172.70000104.2S201 K205S201-V203 PolarHBondContact O-N 2.86Å; V203-K205 PolarHBondContact O-N 2.82Å
204E41.8Very low54.5Low186 Ų186129.8 Ų129.887%0.86967%0.669SS**  trans-56.991.1159.8-66.5177.5166.600107.1A202 E206A202-E204 PolarHBondContact O-N 3.22Å; E204-E206 PolarHBondContact O-N 3.38Å
205K56.9Low55.2Low176 Ų176130.6 Ų130.677%0.76567%0.669SS**  trans-56.8125.7154-67-179.2-179.6178.40104.6V203 L207V203-K205 PolarHBondContact O-N 2.82Å; K205-L207 PolarHBondContact O-N 2.67Å
206E50.1Low56.4Low196 Ų196126.8 Ų126.892%0.91666%0.655SS**  trans-59.492.8172.4-67.3-177.7138.500108.1E204 E208E204-E206 PolarHBondContact O-N 3.38Å; E206-E208 PolarHBondContact O-N 2.86Å
207L51.3Low57.5Low85 Ų85122.1 Ų122.145%0.44564%0.643SS.*  trans-61.4125.1170.8-75.3171.6000106K205 A209 V212 L215K205-L207 PolarHBondContact O-N 2.67Å; L207-A209 PolarHBondContact O-N 3.31Å; L207-V212 HydrophobicContact CB-CG2 3.42Å; L207-V212 VanDerWaalsContact CB-CG2 3.42Å; L207-V212 HydrophobicContact CD1-CG2 4.27Å; L207-V212 HydrophobicContact CG-CG2 4.5Å; L207-V212 WeakPolarHBondContact O-CG2 3.33Å; L207-L215 HydrophobicContact CD1-CD1 4.15Å
208E55.5Low58.6Low135 Ų135120.8 Ų120.863%0.63164%0.644SS**  trans-49.9136.5177.6-62.2177.5137.700109.2E206 A210 Q211 V212E206-E208 PolarHBondContact O-N 2.86Å; E208-A210 CarbonylContact O-C 3.56Å; E208-A210 PolarHBondContact O-N 3.39Å; E208-Q211 HydrophobicContact CB-CG 4.46Å; E208-Q211 PolarHBondContact O-N 3.27Å; E208-Q211 PolarHBondContact OE2-NE2 3.27Å; E208-V212 PolarHBondContact O-N 3.12Å
209A57.9Low59.8Low70 Ų70118.5 Ų118.558%0.57963%0.634SS**Hα-helixtrans-60.4-9.7-16500000115.3L207 R213L207-A209 PolarHBondContact O-N 3.31Å; A209-R213 VanDerWaalsContact O-CD 3.23Å; A209-R213 WeakPolarHBondContact O-CD 3.5Å; A209-R213 VanDerWaalsContact O-CG 3.24Å; A209-R213 WeakPolarHBondContact O-CG 3.49Å
210A59.2Low61.2Low63 Ų63116.8 Ų116.852%0.52162%0.621SS.*Hα-helixtrans-74-49.216600000112.8E208 V212 R213 E214E208-A210 CarbonylContact O-C 3.56Å; E208-A210 PolarHBondContact O-N 3.39Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 3.32Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 2.97Å; A210-E214 PolarHBondContact O-N 2.91Å
211Q58Low62.5Low83 Ų83113.2 Ų113.239%0.38861%0.608SS.*Hα-helixtrans-64.9-37.1-175.8-55.6-178.830.300111.8E208 R213 E214 L215E208-Q211 HydrophobicContact CB-CG 4.46Å; E208-Q211 PolarHBondContact O-N 3.27Å; E208-Q211 PolarHBondContact OE2-NE2 3.27Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.07Å; Q211-E214 PolarHBondContact O-N 3.42Å; Q211-L215 WeakPolarHBondContact O-CG 3.16Å; Q211-L215 PolarHBondContact O-N 2.96Å; Q211-L215 VanDerWaalsContact O-N 3.08Å
212V60.4Low63.9Low60 Ų60112.3 Ų112.336%0.36460%0.598SS.*Hα-helixtrans-60-42.1172-179.10000111.3L207 E208 A210 L215 L216L207-V212 HydrophobicContact CB-CG2 3.42Å; L207-V212 VanDerWaalsContact CB-CG2 3.42Å; L207-V212 HydrophobicContact CD1-CG2 4.27Å; L207-V212 HydrophobicContact CG-CG2 4.5Å; L207-V212 WeakPolarHBondContact O-CG2 3.33Å; E208-V212 PolarHBondContact O-N 3.12Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 3.32Å; V212-L215 PolarHBondContact O-N 3.25Å; V212-L216 HydrophobicContact CG1-CD1 4.31Å; V212-L216 WeakPolarHBondContact O-CB 3.32Å; V212-L216 PolarHBondContact O-N 2.93Å
213R68.6Low65.4Low176 Ų176112.6 Ų112.666%0.66459%0.585SS**Hα-helixtrans-68.7-38.6-179.1-71.9170.9-179.9-177.8-0.9112A209 A210 Q211 L216 L217A209-R213 VanDerWaalsContact O-CD 3.23Å; A209-R213 WeakPolarHBondContact O-CD 3.5Å; A209-R213 VanDerWaalsContact O-CG 3.24Å; A209-R213 WeakPolarHBondContact O-CG 3.49Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 2.97Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.07Å; R213-L216 PolarHBondContact O-N 3.32Å; R213-L217 WeakPolarHBondContact O-CB 3.37Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.04Å
214E71.3Confident66.7Low132 Ų132113.4 Ų113.462%0.61758%0.583SS**Hα-helixtrans-64.9-44.4174.7-69.9-175.6177.200111.8A210 Q211 L216 L217 V218A210-E214 PolarHBondContact O-N 2.91Å; Q211-E214 PolarHBondContact O-N 3.42Å; E214-L216 PolarHBondContact O-N 3.09Å; E214-L217 PolarHBondContact O-N 3.12Å; E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 3.33Å
215L74.3Confident68.3Low108 Ų108106.8 Ų106.857%0.56556%0.558SS**Hα-helixtrans-65.5-37.9176-69.9172.8000112.6L207 Q211 V212 L219L207-L215 HydrophobicContact CD1-CD1 4.15Å; Q211-L215 WeakPolarHBondContact O-CG 3.16Å; Q211-L215 PolarHBondContact O-N 2.96Å; Q211-L215 VanDerWaalsContact O-N 3.08Å; V212-L215 PolarHBondContact O-N 3.25Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 PolarHBondContact O-N 3.03Å
216L77.6Confident69.1Low98 Ų98102.3 Ų102.351%0.51355%0.545SS..Hα-helixtrans-65.1-42.6172.1-107161.9000112V212 R213 E214 L219 V220V212-L216 HydrophobicContact CG1-CD1 4.31Å; V212-L216 WeakPolarHBondContact O-CB 3.32Å; V212-L216 PolarHBondContact O-N 2.93Å; R213-L216 PolarHBondContact O-N 3.32Å; E214-L216 PolarHBondContact O-N 3.09Å; L216-L219 PolarHBondContact O-N 3.37Å; L216-V220 HydrophobicContact CD2-CG2 4.49Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 VanDerWaalsContact O-CG2 3.25Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 2.89Å
217L77.3Confident70.1Confident115 Ų11596.2 Ų96.260%0.60252%0.518SS*.Hα-helixtrans-61.1-44.6175.6-81.8164.6000111.5R213 E214 V220 L221R213-L217 WeakPolarHBondContact O-CB 3.37Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.04Å; E214-L217 PolarHBondContact O-N 3.12Å; L217-V220 PolarHBondContact O-N 3.06Å; L217-L221 WeakPolarHBondContact O-CB 3.38Å; L217-L221 PolarHBondContact O-N 2.94Å
218V77.4Confident71.1Confident92 Ų9295.5 Ų95.556%0.55852%0.52SS*.Hα-helixtrans-64.6-43.9175.9171.70000111.2E214 V220 L221 V222E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 3.33Å; V218-V220 PolarHBondContact O-N 2.98Å; V218-L221 PolarHBondContact O-N 3.03Å; V218-V222 WeakPolarHBondContact O-CG2 3.42Å; V218-V222 PolarHBondContact O-N 3.14Å
219L79.6Confident72.1Confident109 Ų10995.5 Ų95.557%0.57152%0.518SS*.Hα-helixtrans-62.7-43.1177.8-176.563.7000111.8L215 L216 V222 L223L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 PolarHBondContact O-N 3.03Å; L216-L219 PolarHBondContact O-N 3.37Å; L219-V222 PolarHBondContact O-N 3.41Å; L219-L223 PolarHBondContact O-N 2.97Å
220V78Confident73Confident68 Ų6897.2 Ų97.241%0.41252%0.518SS..Hα-helixtrans-64.3-42.8174.8168.70000111.1L216 L217 V218 V222 L223 M224L216-V220 HydrophobicContact CD2-CG2 4.49Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 VanDerWaalsContact O-CG2 3.25Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 2.89Å; L217-V220 PolarHBondContact O-N 3.06Å; V218-V220 PolarHBondContact O-N 2.98Å; V220-V222 VanDerWaalsContact C-N 3.32Å; V220-V222 PolarHBondContact O-N 3.45Å; V220-L223 PolarHBondContact O-N 2.93Å; V220-M224 HydrophobicContact CG1-CG 4.35Å; V220-M224 HydrophobicContact CG1-SD 4.01Å; V220-M224 WeakPolarHBondContact O-CB 3.21Å; V220-M224 WeakPolarHBondContact O-CG 3.31Å; V220-M224 PolarHBondContact O-N 3.3Å
221L78.8Confident73.1Confident123 Ų123102.9 Ų102.964%0.64453%0.526SS*.Hα-helixtrans-60.7-42.3175.2-125.993.9000111.7L217 V218 S225L217-L221 WeakPolarHBondContact O-CB 3.38Å; L217-L221 PolarHBondContact O-N 2.94Å; V218-L221 PolarHBondContact O-N 3.03Å; L221-S225 VanDerWaalsContact O-CB 3.29Å; L221-S225 WeakPolarHBondContact O-CB 3.3Å; L221-S225 PolarHBondContact O-N 2.67Å
222V78.4Confident73.6Confident75 Ų75102.6 Ų102.646%0.45553%0.532SS..Hα-helixtrans-63.4-46.9176.71690000110.3V218 L219 V220 S225 V226V218-V222 WeakPolarHBondContact O-CG2 3.42Å; V218-V222 PolarHBondContact O-N 3.14Å; L219-V222 PolarHBondContact O-N 3.41Å; V220-V222 VanDerWaalsContact C-N 3.32Å; V220-V222 PolarHBondContact O-N 3.45Å; V222-S225 PolarHBondContact O-N 3.17Å; V222-S225 VanDerWaalsContact O-N 3.15Å; V222-S225 PolarHBondContact O-OG 2.84Å; V222-V226 WeakPolarHBondContact O-CG2 3.41Å; V222-V226 PolarHBondContact O-N 3.42Å
223L76.4Confident74Confident106 Ų106102.9 Ų102.956%0.55554%0.537SS*.Hα-helixtrans-57-54.4176.6-135.874.8000111L219 V220 S225 V226 D227L219-L223 PolarHBondContact O-N 2.97Å; V220-L223 PolarHBondContact O-N 2.93Å; L223-S225 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact O-N 3.17Å; L223-V226 WeakPolarHBondContact O-CA 3.29Å; L223-V226 WeakPolarHBondContact O-CB 3.46Å; L223-V226 PolarHBondContact O-N 3.45Å; L223-D227 VanDerWaalsContact O-CG 3.31Å; L223-D227 PolarHBondContact O-N 3.14Å
224M72.3Confident74.3Confident126 Ų12699.2 Ų99.262%0.62153%0.53SS*.Hα-helixtrans-57.8-33.4176.8-67.9-178.278.600112.5V220 S228V220-M224 HydrophobicContact CG1-CG 4.35Å; V220-M224 HydrophobicContact CG1-SD 4.01Å; V220-M224 WeakPolarHBondContact O-CB 3.21Å; V220-M224 WeakPolarHBondContact O-CG 3.31Å; V220-M224 PolarHBondContact O-N 3.3Å; M224-S228 WeakPolarHBondContact O-CB 3.49Å; M224-S228 PolarHBondContact O-N 3.05Å
225S74.2Confident74.2Confident47 Ų4798.2 Ų98.233%0.32953%0.525SS..Hα-helixtrans-76-19176.386.20000114.6L221 V222 L223 K229L221-S225 VanDerWaalsContact O-CB 3.29Å; L221-S225 WeakPolarHBondContact O-CB 3.3Å; L221-S225 PolarHBondContact O-N 2.67Å; V222-S225 PolarHBondContact O-N 3.17Å; V222-S225 VanDerWaalsContact O-N 3.15Å; V222-S225 PolarHBondContact O-OG 2.84Å; L223-S225 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact O-N 3.17Å; S225-K229 WeakPolarHBondContact O-CD 3.4Å; S225-K229 WeakPolarHBondContact O-CE 3.34Å; S225-K229 VanDerWaalsContact O-CG 3.31Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å; S225-K229 PolarHBondContact O-NZ 2.9Å; S225-K229 VanDerWaalsContact O-NZ 3.14Å
226V75.4Confident74.3Confident81 Ų8196 Ų9649%0.49152%0.518SS..Hα-helixtrans-87-47.7173.1170.40000109V222 L223 S228 K229 L230V222-V226 WeakPolarHBondContact O-CG2 3.41Å; V222-V226 PolarHBondContact O-N 3.42Å; L223-V226 WeakPolarHBondContact O-CA 3.29Å; L223-V226 WeakPolarHBondContact O-CB 3.46Å; L223-V226 PolarHBondContact O-N 3.45Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.9Å; V226-K229 WeakPolarHBondContact O-CB 3.49Å; V226-K229 PolarHBondContact O-N 3.44Å; V226-K229 VanDerWaalsContact O-N 3.07Å; V226-L230 PolarHBondContact O-N 2.92Å
227D70Confident74.1Confident68 Ų6895.9 Ų95.936%0.36452%0.518SS..Hα-helixtrans-58.2-45.9175.5-62.2-29.5000110.9L223 K229 L230 W231L223-D227 VanDerWaalsContact O-CG 3.31Å; L223-D227 PolarHBondContact O-N 3.14Å; D227-K229 PolarHBondContact O-N 3.44Å; D227-L230 WeakPolarHBondContact O-CB 3.4Å; D227-L230 PolarHBondContact O-N 3.07Å; D227-L230 VanDerWaalsContact O-N 3.09Å; D227-W231 PolarHBondContact O-N 3.44Å
228S71.7Confident74.3Confident70 Ų7093.2 Ų93.249%0.4951%0.512SS..Hα-helixtrans-57-36.3175.8173.70000112.9M224 V226 S232M224-S228 WeakPolarHBondContact O-CB 3.49Å; M224-S228 PolarHBondContact O-N 3.05Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.9Å; S228-S232 WeakPolarHBondContact O-CB 3.45Å; S228-S232 PolarHBondContact O-N 3.39Å; S228-S232 PolarHBondContact O-OG 3.29Å
229K76.6Confident74.4Confident135 Ų13596.1 Ų96.159%0.58751%0.513SS*.Hα-helixtrans-73.5-41.3175.2-69.5165.2-167.1142.90111.5S225 V226 D227 S232 S233S225-K229 WeakPolarHBondContact O-CD 3.4Å; S225-K229 WeakPolarHBondContact O-CE 3.34Å; S225-K229 VanDerWaalsContact O-CG 3.31Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å; S225-K229 PolarHBondContact O-NZ 2.9Å; S225-K229 VanDerWaalsContact O-NZ 3.14Å; V226-K229 WeakPolarHBondContact O-CB 3.49Å; V226-K229 PolarHBondContact O-N 3.44Å; V226-K229 VanDerWaalsContact O-N 3.07Å; D227-K229 PolarHBondContact O-N 3.44Å; K229-S232 WeakPolarHBondContact O-CB 3.25Å; K229-S232 PolarHBondContact O-N 2.87Å; K229-S233 PolarHBondContact O-N 3.04Å; K229-S233 PolarHBondContact O-OG 3.32Å; K229-S233 VanDerWaalsContact O-OG 3.1Å
230L76.7Confident74.7Confident107 Ų10795.7 Ų95.756%0.5651%0.511SS*.Hα-helixtrans-60-48.3176.7-173.965000111.3V226 D227 S232 S233 L234V226-L230 PolarHBondContact O-N 2.92Å; D227-L230 WeakPolarHBondContact O-CB 3.4Å; D227-L230 PolarHBondContact O-N 3.07Å; D227-L230 VanDerWaalsContact O-N 3.09Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 2.91Å; L230-S233 WeakPolarHBondContact CA-OG 3.44Å; L230-S233 PolarHBondContact O-N 3.05Å; L230-S233 PolarHBondContact O-OG 3Å; L230-L234 PolarHBondContact O-N 2.94Å
231W61.7Low75.1Confident182 Ų18298.8 Ų98.869%0.68952%0.52SS*.Hα-helixtrans-59.7-42.2172.5-76.6111000112.4D227 S233 L234 Q235D227-W231 PolarHBondContact O-N 3.44Å; W231-S233 VanDerWaalsContact C-N 3.31Å; W231-S233 PolarHBondContact O-N 3.29Å; W231-L234 PolarHBondContact O-N 3.05Å; W231-Q235 PolarHBondContact O-N 3.34Å; W231-Q235 VanDerWaalsContact O-N 3.15Å
232S68.3Low75.2Confident76 Ų7695.2 Ų95.253%0.53151%0.509SS..Hα-helixtrans-63-34.4176.1-60.20000112.9S228 K229 L230 P236S228-S232 WeakPolarHBondContact O-CB 3.45Å; S228-S232 PolarHBondContact O-N 3.39Å; S228-S232 PolarHBondContact O-OG 3.29Å; K229-S232 WeakPolarHBondContact O-CB 3.25Å; K229-S232 PolarHBondContact O-N 2.87Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 2.91Å; S232-P236 WeakPolarHBondContact O-CD 3.27Å
233S69.2Low75.7Confident66 Ų6694.9 Ų94.946%0.46250%0.504SS..Hα-helixtrans-77.7-28.6174.547.50000114K229 L230 W231 P236K229-S233 PolarHBondContact O-N 3.04Å; K229-S233 PolarHBondContact O-OG 3.32Å; K229-S233 VanDerWaalsContact O-OG 3.1Å; L230-S233 WeakPolarHBondContact CA-OG 3.44Å; L230-S233 PolarHBondContact O-N 3.05Å; L230-S233 PolarHBondContact O-OG 3Å; W231-S233 VanDerWaalsContact C-N 3.31Å; W231-S233 PolarHBondContact O-N 3.29Å; S233-P236 VanDerWaalsContact O-CD 3.31Å; S233-P236 WeakPolarHBondContact O-CD 3.45Å; S233-P236 WeakPolarHBondContact O-CG 3.46Å
234L74.8Confident76.4Confident99 Ų9995.7 Ų95.752%0.51851%0.506SS..Hα-helixtrans-77.5-29.1-179.8-152.474.4000112.6L230 W231 D237 A238L230-L234 PolarHBondContact O-N 2.94Å; W231-L234 PolarHBondContact O-N 3.05Å; L234-D237 PolarHBondContact O-N 2.99Å; L234-A238 PolarHBondContact O-N 3.43Å; L234-A238 VanDerWaalsContact O-N 3.16Å
235Q69.6Low77.4Confident111 Ų11194.7 Ų94.752%0.51950%0.502SS..Hα-helixtrans-62.9-40.7-177.2-158.8178.428.900115.8W231 R239W231-Q235 PolarHBondContact O-N 3.34Å; W231-Q235 VanDerWaalsContact O-N 3.15Å; Q235-R239 WeakPolarHBondContact O-CG 3.29Å; Q235-R239 PolarHBondContact O-N 3.49Å
236P76.8Confident78.1Confident62 Ų6297.7 Ų97.740%0.40351%0.511SS..Hα-helixtrans-66.6-38174.324.9-35000113.1S232 S233 R239 L240S232-P236 WeakPolarHBondContact O-CD 3.27Å; S233-P236 VanDerWaalsContact O-CD 3.31Å; S233-P236 WeakPolarHBondContact O-CD 3.45Å; S233-P236 WeakPolarHBondContact O-CG 3.46Å; P236-R239 WeakPolarHBondContact O-CB 3.42Å; P236-R239 PolarHBondContact O-N 3.45Å; P236-L240 WeakPolarHBondContact O-CG 3.29Å; P236-L240 PolarHBondContact O-N 3.26Å
237D73.6Confident79.1Confident96 Ų9698.4 Ų98.451%0.51351%0.507SS..Hα-helixtrans-66.6-44.2-179.4-68.3-19.3000111L234 R239 L240 E241L234-D237 PolarHBondContact O-N 2.99Å; D237-R239 VanDerWaalsContact C-N 3.25Å; D237-R239 PolarHBondContact O-N 3.19Å; D237-L240 WeakPolarHBondContact O-CA 3.44Å; D237-L240 WeakPolarHBondContact O-CB 3.4Å; D237-L240 PolarHBondContact O-N 2.92Å; D237-E241 PolarHBondContact O-N 3.43Å
238A80.5Confident80.2Confident58 Ų5897.5 Ų97.548%0.47951%0.509SS..Hα-helixtrans-57.9-3617300000113L234 E241 A242L234-A238 PolarHBondContact O-N 3.43Å; L234-A238 VanDerWaalsContact O-N 3.16Å; A238-E241 PolarHBondContact O-N 3.4Å; A238-A242 PolarHBondContact O-N 3.1Å
239R80.6Confident81.4Confident154 Ų154101.3 Ų101.358%0.58151%0.513SS*.Hα-helixtrans-67.5-40.5173.2-69.2171.7-171.5-176.25.8111.7Q235 P236 D237 E241 A242 D243Q235-R239 WeakPolarHBondContact O-CG 3.29Å; Q235-R239 PolarHBondContact O-N 3.49Å; P236-R239 WeakPolarHBondContact O-CB 3.42Å; P236-R239 PolarHBondContact O-N 3.45Å; D237-R239 VanDerWaalsContact C-N 3.25Å; D237-R239 PolarHBondContact O-N 3.19Å; R239-E241 VanDerWaalsContact C-N 3.31Å; R239-E241 PolarHBondContact O-N 3.16Å; R239-A242 PolarHBondContact O-N 3.4Å; R239-D243 VanDerWaalsContact O-CB 3.31Å; R239-D243 WeakPolarHBondContact O-CB 3.48Å; R239-D243 PolarHBondContact O-N 3.37Å
240L85.9Confident82.3Confident100 Ų10099.2 Ų99.252%0.52451%0.511SS..Hα-helixtrans-66.8-30.3177-69.5172.5000112.7P236 D237 Q244P236-L240 WeakPolarHBondContact O-CG 3.29Å; P236-L240 PolarHBondContact O-N 3.26Å; D237-L240 WeakPolarHBondContact O-CA 3.44Å; D237-L240 WeakPolarHBondContact O-CB 3.4Å; D237-L240 PolarHBondContact O-N 2.92Å; L240-Q244 VanDerWaalsContact O-CG 3.24Å; L240-Q244 WeakPolarHBondContact O-CG 3.32Å; L240-Q244 PolarHBondContact O-N 3.07Å; L240-Q244 PolarHBondContact O-NE2 2.69Å
241E85.3Confident83.2Confident132 Ų132102.1 Ų102.162%0.61752%0.515SS*.Hα-helixtrans-72.7-45171.4-67.7-167153.200112.1D237 A238 R239 D243 Q244 L245D237-E241 PolarHBondContact O-N 3.43Å; A238-E241 PolarHBondContact O-N 3.4Å; R239-E241 VanDerWaalsContact C-N 3.31Å; R239-E241 PolarHBondContact O-N 3.16Å; E241-D243 PolarHBondContact O-N 3.28Å; E241-Q244 WeakPolarHBondContact O-CB 3.42Å; E241-Q244 PolarHBondContact O-N 2.81Å; E241-Q244 VanDerWaalsContact O-N 3.1Å; E241-L245 WeakPolarHBondContact O-CG 3.46Å; E241-L245 PolarHBondContact O-N 2.99Å
242A82.5Confident84.9Confident48 Ų4895 Ų9540%0.39750%0.498SS..Hα-helixtrans-56.6-48.6172.900000111.6A238 R239 Q244 L245 E246A238-A242 PolarHBondContact O-N 3.1Å; R239-A242 PolarHBondContact O-N 3.4Å; A242-Q244 VanDerWaalsContact C-N 3.26Å; A242-Q244 PolarHBondContact O-N 2.87Å; A242-L245 PolarHBondContact O-N 3.08Å; A242-L245 VanDerWaalsContact O-N 3.13Å; A242-E246 PolarHBondContact O-N 2.76Å
243D88.8Confident86.2Confident68 Ų68100.6 Ų100.636%0.36451%0.508SS..Hα-helixtrans-51.9-42.2173.1-108.239.9000112.4R239 E241 K247R239-D243 VanDerWaalsContact O-CB 3.31Å; R239-D243 WeakPolarHBondContact O-CB 3.48Å; R239-D243 PolarHBondContact O-N 3.37Å; E241-D243 PolarHBondContact O-N 3.28Å; D243-K247 WeakPolarHBondContact O-CB 3.46Å; D243-K247 WeakPolarHBondContact O-CD 3.48Å; D243-K247 WeakPolarHBondContact O-CE 3.4Å; D243-K247 WeakPolarHBondContact O-CG 3.28Å; D243-K247 PolarHBondContact O-N 3.4Å; D243-K247 WeakPolarHBondContact OD2-CE 3.47Å; D243-K247 IonicContact OD2-NZ 3.66Å; D243-K247 PolarHBondContact OD2-NZ 2.96Å
244Q90.9Very high87.6Confident124 Ų124102.5 Ų102.558%0.57951%0.509SS*.Hα-helixtrans-71.7-40.6179.4-78.9174.189.500112L240 E241 A242 K247 A248L240-Q244 VanDerWaalsContact O-CG 3.24Å; L240-Q244 WeakPolarHBondContact O-CG 3.32Å; L240-Q244 PolarHBondContact O-N 3.07Å; L240-Q244 PolarHBondContact O-NE2 2.69Å; E241-Q244 WeakPolarHBondContact O-CB 3.42Å; E241-Q244 PolarHBondContact O-N 2.81Å; E241-Q244 VanDerWaalsContact O-N 3.1Å; A242-Q244 VanDerWaalsContact C-N 3.26Å; A242-Q244 PolarHBondContact O-N 2.87Å; Q244-K247 PolarHBondContact O-N 2.93Å; Q244-A248 WeakPolarHBondContact O-CB 3.41Å; Q244-A248 PolarHBondContact O-N 3.16Å
245L91.6Very high88.6Confident104 Ų104100.5 Ų100.555%0.54551%0.507SS..Hα-helixtrans-65.3-39.5175.2-69.1171.9000111.5E241 A242 A248 R249E241-L245 WeakPolarHBondContact O-CG 3.46Å; E241-L245 PolarHBondContact O-N 2.99Å; A242-L245 PolarHBondContact O-N 3.08Å; A242-L245 VanDerWaalsContact O-N 3.13Å; L245-A248 PolarHBondContact O-N 2.86Å; L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.24Å; L245-R249 PolarHBondContact O-N 3.27Å
246E90.1Very high90Very high111 Ų111100 Ų10052%0.51951%0.507SS..Hα-helixtrans-64.8-47172.3-73.3-168.7-17800112.2A242 A248 R249 V250A242-E246 PolarHBondContact O-N 2.76Å; E246-A248 PolarHBondContact O-N 2.84Å; E246-R249 WeakPolarHBondContact O-CB 3.4Å; E246-R249 PolarHBondContact O-N 3.21Å; E246-R249 VanDerWaalsContact O-N 3.1Å; E246-V250 WeakPolarHBondContact O-CG2 3.34Å; E246-V250 PolarHBondContact O-N 3.46Å
247K96.4Very high90.9Very high96 Ų96105.7 Ų105.742%0.41752%0.521SS..Hα-helixtrans-60.4-34.2175.2-70.4158.4-156.2170.70111.3D243 Q244 R251D243-K247 WeakPolarHBondContact O-CB 3.46Å; D243-K247 WeakPolarHBondContact O-CD 3.48Å; D243-K247 WeakPolarHBondContact O-CE 3.4Å; D243-K247 WeakPolarHBondContact O-CG 3.28Å; D243-K247 PolarHBondContact O-N 3.4Å; D243-K247 WeakPolarHBondContact OD2-CE 3.47Å; D243-K247 IonicContact OD2-NZ 3.66Å; D243-K247 PolarHBondContact OD2-NZ 2.96Å; Q244-K247 PolarHBondContact O-N 2.93Å; K247-R251 WeakPolarHBondContact O-CB 3.48Å; K247-R251 VanDerWaalsContact O-CD 3.26Å; K247-R251 WeakPolarHBondContact O-CD 3.45Å; K247-R251 WeakPolarHBondContact O-CG 3.4Å; K247-R251 PolarHBondContact O-N 3.2Å
248A93.2Very high92Very high49 Ų49108 Ų10841%0.40552%0.522SS..Hα-helixtrans-68.2-46.6171.400000112.6Q244 L245 E246 V250 R251 G252Q244-A248 WeakPolarHBondContact O-CB 3.41Å; Q244-A248 PolarHBondContact O-N 3.16Å; L245-A248 PolarHBondContact O-N 2.86Å; E246-A248 PolarHBondContact O-N 2.84Å; A248-V250 PolarHBondContact O-N 2.87Å; A248-R251 PolarHBondContact O-N 3.11Å; A248-G252 PolarHBondContact O-N 3.32Å
249R95.5Very high92.8Very high150 Ų150110.1 Ų110.157%0.56652%0.522SS*.Hα-helixtrans-57.7-44.1175.2-71.4164.7-175.4178.92.9111.7L245 E246 G252 R253L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.24Å; L245-R249 PolarHBondContact O-N 3.27Å; E246-R249 WeakPolarHBondContact O-CB 3.4Å; E246-R249 PolarHBondContact O-N 3.21Å; E246-R249 VanDerWaalsContact O-N 3.1Å; R249-G252 PolarHBondContact O-N 2.9Å; R249-R253 WeakPolarHBondContact O-CG 3.41Å; R249-R253 PolarHBondContact O-N 2.97Å
250V95.6Very high93.6Very high91 Ų91108 Ų10855%0.55252%0.519SS*.Hα-helixtrans-66.1-45.3177.7172.30000111.4E246 A248 G252 R253 Q254E246-V250 WeakPolarHBondContact O-CG2 3.34Å; E246-V250 PolarHBondContact O-N 3.46Å; A248-V250 PolarHBondContact O-N 2.87Å; V250-G252 VanDerWaalsContact C-N 3.33Å; V250-G252 PolarHBondContact O-N 2.89Å; V250-R253 PolarHBondContact O-N 3.27Å; V250-Q254 WeakPolarHBondContact O-CB 3.29Å; V250-Q254 PolarHBondContact O-N 2.67Å
251R96.1Very high94.2Very high168 Ų168108.7 Ų108.763%0.63452%0.522SS*.Hα-helixtrans-59-43173.4-72163.5-169.1159.41.6111.6K247 A248 Q254 A255K247-R251 WeakPolarHBondContact O-CB 3.48Å; K247-R251 VanDerWaalsContact O-CD 3.26Å; K247-R251 WeakPolarHBondContact O-CD 3.45Å; K247-R251 WeakPolarHBondContact O-CG 3.4Å; K247-R251 PolarHBondContact O-N 3.2Å; A248-R251 PolarHBondContact O-N 3.11Å; R251-Q254 PolarHBondContact O-N 2.99Å; R251-A255 WeakPolarHBondContact O-CB 3.33Å; R251-A255 PolarHBondContact O-N 3.11Å
252G97.1Very high94.8Very high33 Ų33107.1 Ų107.134%0.3452%0.515SS..Hα-helixtrans-61.6-49.4176.600000112.8A248 R249 V250 Q254 A255 L256A248-G252 PolarHBondContact O-N 3.32Å; R249-G252 PolarHBondContact O-N 2.9Å; V250-G252 VanDerWaalsContact C-N 3.33Å; V250-G252 PolarHBondContact O-N 2.89Å; G252-Q254 VanDerWaalsContact C-N 3.31Å; G252-Q254 PolarHBondContact O-N 2.99Å; G252-A255 PolarHBondContact O-N 3.3Å; G252-L256 WeakPolarHBondContact O-CG 3.19Å; G252-L256 PolarHBondContact O-N 3.21Å
253R96.9Very high95.5Very high193 Ų193108.2 Ų108.273%0.72851%0.512SS*.Hα-helixtrans-58.5-40.7173.8-72.1176179.91750.8112.1R249 V250 R257R249-R253 WeakPolarHBondContact O-CG 3.41Å; R249-R253 PolarHBondContact O-N 2.97Å; V250-R253 PolarHBondContact O-N 3.27Å; R253-R257 WeakPolarHBondContact O-CB 3.3Å; R253-R257 PolarHBondContact O-N 2.81Å; R253-R257 VanDerWaalsContact O-N 3.1Å
254Q96.8Very high95.9Very high106 Ų106108.2 Ų108.250%0.49551%0.512SS..Hα-helixtrans-69.9-36.8177.8-168.5-17962.200112.6V250 R251 G252 R258V250-Q254 WeakPolarHBondContact O-CB 3.29Å; V250-Q254 PolarHBondContact O-N 2.67Å; R251-Q254 PolarHBondContact O-N 2.99Å; G252-Q254 VanDerWaalsContact C-N 3.31Å; G252-Q254 PolarHBondContact O-N 2.99Å; Q254-R258 WeakPolarHBondContact O-CG 3.45Å; Q254-R258 PolarHBondContact O-N 2.9Å
255A97.5Very high96.2Very high56 Ų56109.3 Ų109.346%0.46351%0.511SS..Hα-helixtrans-66-50.2175.400000111.3R251 G252 R257 R258 E259R251-A255 WeakPolarHBondContact O-CB 3.33Å; R251-A255 PolarHBondContact O-N 3.11Å; G252-A255 PolarHBondContact O-N 3.3Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.19Å; A255-R258 WeakPolarHBondContact O-CB 3.33Å; A255-R258 PolarHBondContact O-N 3.3Å; A255-E259 PolarHBondContact O-N 3.04Å
256L97.3Very high96.5Very high101 Ų101109.7 Ų109.753%0.52951%0.51SS..Hα-helixtrans-56.3-42.4176.1-73.4167.2000112.1G252 R258 E259 Q260G252-L256 WeakPolarHBondContact O-CG 3.19Å; G252-L256 PolarHBondContact O-N 3.21Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 3.35Å; L256-E259 PolarHBondContact O-N 2.91Å; L256-Q260 WeakPolarHBondContact O-CB 3.26Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.49Å
257R97.3Very high96.9Very high182 Ų182110.9 Ų110.969%0.68751%0.509SS*.Hα-helixtrans-66.7-30177.2-167.6172.8-176174.82.3113R253 A255 L261R253-R257 WeakPolarHBondContact O-CB 3.3Å; R253-R257 PolarHBondContact O-N 2.81Å; R253-R257 VanDerWaalsContact O-N 3.1Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.19Å; R257-L261 WeakPolarHBondContact O-CD1 3.48Å; R257-L261 VanDerWaalsContact O-CG 3.26Å; R257-L261 WeakPolarHBondContact O-CG 3.09Å; R257-L261 PolarHBondContact O-N 3.43Å
258R96.9Very high97Very high143 Ų143110.9 Ų110.954%0.5451%0.514SS..Hα-helixtrans-71.9-44.3171.3-72174.4-175.6159.36.7111.1Q254 A255 L256 Q260 L261 E262Q254-R258 WeakPolarHBondContact O-CG 3.45Å; Q254-R258 PolarHBondContact O-N 2.9Å; A255-R258 WeakPolarHBondContact O-CB 3.33Å; A255-R258 PolarHBondContact O-N 3.3Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 3.35Å; R258-Q260 PolarHBondContact O-N 2.83Å; R258-L261 PolarHBondContact O-N 3.29Å; R258-E262 WeakPolarHBondContact O-CG 3.42Å; R258-E262 PolarHBondContact O-N 2.77Å
259E97.2Very high97.2Very high103 Ų103113.4 Ų113.448%0.48152%0.52SS..Hα-helixtrans-60.5-44.9178.6-162.3-166148.900111.6A255 L256 L261 E262 Q263A255-E259 PolarHBondContact O-N 3.04Å; L256-E259 PolarHBondContact O-N 2.91Å; E259-L261 PolarHBondContact O-N 2.88Å; E259-E262 CarbonylContact O-C 3.59Å; E259-E262 PolarHBondContact O-N 2.78Å; E259-E262 VanDerWaalsContact O-N 3.11Å; E259-Q263 WeakPolarHBondContact O-CG 3.48Å; E259-Q263 PolarHBondContact O-N 2.86Å; E259-Q263 PolarHBondContact OE1-NE2 3.49Å
260Q96.9Very high97.3Very high111 Ų111110.7 Ų110.752%0.51952%0.519SS..Hα-helixtrans-55.9-49.1173.3-73.7169.8-21.600111.9L256 R258 E262 Q263 D264L256-Q260 WeakPolarHBondContact O-CB 3.26Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.37Å; L256-Q260 PolarHBondContact O-N 3.49Å; R258-Q260 PolarHBondContact O-N 2.83Å; Q260-E262 VanDerWaalsContact C-N 3.27Å; Q260-E262 PolarHBondContact O-N 3.15Å; Q260-Q263 PolarHBondContact O-N 3.11Å; Q260-D264 PolarHBondContact O-N 3.12Å
261L97.9Very high97.4Very high113 Ų113111.6 Ų111.659%0.59252%0.518SS*.Hα-helixtrans-63.4-31.3176.4-70.9169.3000113R257 R258 E259 R265R257-L261 WeakPolarHBondContact O-CD1 3.48Å; R257-L261 VanDerWaalsContact O-CG 3.26Å; R257-L261 WeakPolarHBondContact O-CG 3.09Å; R257-L261 PolarHBondContact O-N 3.43Å; R258-L261 PolarHBondContact O-N 3.29Å; E259-L261 PolarHBondContact O-N 2.88Å; L261-R265 VanDerWaalsContact O-CB 3.25Å; L261-R265 WeakPolarHBondContact O-CB 3.47Å; L261-R265 PolarHBondContact O-N 3.24Å
262E97.4Very high97.5Very high100 Ų100108.6 Ų108.647%0.46751%0.514SS..Hα-helixtrans-74.4-37.8174.5-75.1-177.5-150.900112.5R258 E259 Q260 Q266R258-E262 WeakPolarHBondContact O-CG 3.42Å; R258-E262 PolarHBondContact O-N 2.77Å; E259-E262 CarbonylContact O-C 3.59Å; E259-E262 PolarHBondContact O-N 2.78Å; E259-E262 VanDerWaalsContact O-N 3.11Å; Q260-E262 VanDerWaalsContact C-N 3.27Å; Q260-E262 PolarHBondContact O-N 3.15Å; E262-Q266 VanDerWaalsContact O-CG 3.23Å; E262-Q266 WeakPolarHBondContact O-CG 3.42Å; E262-Q266 PolarHBondContact O-N 3.31Å; E262-Q266 PolarHBondContact O-NE2 2.9Å
263Q97.2Very high97.6Very high70 Ų70112.1 Ų112.133%0.32752%0.522SS..Hα-helixtrans-64.2-45.6171.8-68.7175.318.800111E259 Q260 Q266 R267E259-Q263 WeakPolarHBondContact O-CG 3.48Å; E259-Q263 PolarHBondContact O-N 2.86Å; E259-Q263 PolarHBondContact OE1-NE2 3.49Å; Q260-Q263 PolarHBondContact O-N 3.11Å; Q263-Q266 WeakPolarHBondContact O-CB 3.19Å; Q263-Q266 PolarHBondContact O-N 3.47Å; Q263-Q266 VanDerWaalsContact O-N 3.12Å; Q263-R267 WeakPolarHBondContact O-CG 3.44Å; Q263-R267 PolarHBondContact O-N 3.41Å
264D97.2Very high97.6Very high68 Ų68108.3 Ų108.336%0.36451%0.512SS..Hα-helixtrans-66.1-38.8177.4-70.3-29.5000112.1Q260 Q266 R267 L268Q260-D264 PolarHBondContact O-N 3.12Å; D264-Q266 VanDerWaalsContact C-N 3.3Å; D264-Q266 PolarHBondContact O-N 3.27Å; D264-R267 PolarHBondContact O-N 3.08Å; D264-R267 IonicContact OD1-CZ 3.49Å; D264-R267 IonicContact OD1-NH1 3.51Å; D264-R267 PolarHBondContact OD1-NH1 2.95Å; D264-L268 WeakPolarHBondContact O-CB 3.27Å; D264-L268 WeakPolarHBondContact O-CG 3.41Å; D264-L268 PolarHBondContact O-N 2.84Å
265R97.7Very high97.7Very high147 Ų147108.4 Ų108.456%0.55552%0.515SS*.Hα-helixtrans-60.6-39.3170.1-174.7-174.165.9150.5-2.4111.9L261 L269L261-R265 VanDerWaalsContact O-CB 3.25Å; L261-R265 WeakPolarHBondContact O-CB 3.47Å; L261-R265 PolarHBondContact O-N 3.24Å; R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 VanDerWaalsContact O-CG 3.25Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 2.88Å
266Q98Very high97.6Very high112 Ų112111.8 Ų111.852%0.52352%0.521SS..Hα-helixtrans-66.3-43.8176.5-73.3168.744.500111.7E262 Q263 D264 L269 V270E262-Q266 VanDerWaalsContact O-CG 3.23Å; E262-Q266 WeakPolarHBondContact O-CG 3.42Å; E262-Q266 PolarHBondContact O-N 3.31Å; E262-Q266 PolarHBondContact O-NE2 2.9Å; Q263-Q266 WeakPolarHBondContact O-CB 3.19Å; Q263-Q266 PolarHBondContact O-N 3.47Å; Q263-Q266 VanDerWaalsContact O-N 3.12Å; D264-Q266 VanDerWaalsContact C-N 3.3Å; D264-Q266 PolarHBondContact O-N 3.27Å; Q266-L269 PolarHBondContact O-N 2.95Å; Q266-V270 WeakPolarHBondContact O-CG2 3.24Å; Q266-V270 PolarHBondContact O-N 3.42Å; Q266-V270 VanDerWaalsContact O-N 3.12Å
267R98.3Very high97.6Very high136 Ų136111.6 Ų111.651%0.51352%0.518SS..Hα-helixtrans-55.4-53.7173.7-69.4167.6179.5150.80.2111.2Q263 D264 L269 V270 E271Q263-R267 WeakPolarHBondContact O-CG 3.44Å; Q263-R267 PolarHBondContact O-N 3.41Å; D264-R267 PolarHBondContact O-N 3.08Å; D264-R267 IonicContact OD1-CZ 3.49Å; D264-R267 IonicContact OD1-NH1 3.51Å; D264-R267 PolarHBondContact OD1-NH1 2.95Å; R267-L269 VanDerWaalsContact C-N 3.29Å; R267-L269 PolarHBondContact O-N 2.85Å; R267-V270 PolarHBondContact O-N 3.09Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.46Å
268L98.1Very high97.6Very high97 Ų97105.7 Ų105.751%0.50850%0.502SS..Hα-helixtrans-59.5-35179-71.3169.5000113.1D264 L272D264-L268 WeakPolarHBondContact O-CB 3.27Å; D264-L268 WeakPolarHBondContact O-CG 3.41Å; D264-L268 PolarHBondContact O-N 2.84Å; L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.38Å; L268-L272 PolarHBondContact O-N 3.19Å
269L98.3Very high97.6Very high101 Ų101101.6 Ų101.653%0.52949%0.491SS..Hα-helixtrans-68.2-38.1175.3-74.8168.6000112.5R265 Q266 R267 Q273R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 VanDerWaalsContact O-CG 3.25Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 2.88Å; Q266-L269 PolarHBondContact O-N 2.95Å; R267-L269 VanDerWaalsContact C-N 3.29Å; R267-L269 PolarHBondContact O-N 2.85Å; L269-Q273 WeakPolarHBondContact O-CB 3.39Å; L269-Q273 PolarHBondContact O-N 2.9Å
270V98.3Very high97.6Very high93 Ų93101.5 Ų101.556%0.56449%0.493SS*.Hα-helixtrans-69.2-42.1174.9174.70000111Q266 R267 Q273 H274Q266-V270 WeakPolarHBondContact O-CG2 3.24Å; Q266-V270 PolarHBondContact O-N 3.42Å; Q266-V270 VanDerWaalsContact O-N 3.12Å; R267-V270 PolarHBondContact O-N 3.09Å; V270-Q273 PolarHBondContact O-N 3.19Å; V270-H274 PolarHBondContact O-N 3.5Å
271E98.1Very high97.6Very high110 Ų110100.9 Ų100.951%0.51449%0.493SS..Hα-helixtrans-61.8-45.9174.9-72170-161.700111.8R267 Q273 H274 L275R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.46Å; E271-Q273 VanDerWaalsContact C-N 3.34Å; E271-Q273 PolarHBondContact O-N 3.18Å; E271-H274 PolarHBondContact O-N 3.38Å; E271-L275 WeakPolarHBondContact O-CB 3.47Å; E271-L275 WeakPolarHBondContact O-CG 3.38Å; E271-L275 PolarHBondContact O-N 3.06Å
272L98.1Very high97.5Very high106 Ų106102.9 Ų102.956%0.55549%0.492SS*.Hα-helixtrans-62.2-39.3174.5-76168.7000112.2L268 L275 Q276L268-L272 VanDerWaalsContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.38Å; L268-L272 PolarHBondContact O-N 3.19Å; L272-L275 PolarHBondContact O-N 3.2Å; L272-Q276 WeakPolarHBondContact O-CB 3.45Å; L272-Q276 PolarHBondContact O-N 3.07Å
273Q97.9Very high97.4Very high107 Ų107105.1 Ų105.150%0.550%0.496SS..Hα-helixtrans-64.1-40.5174.5-171.6-1801600111.5L269 V270 E271 Q276 Q277L269-Q273 WeakPolarHBondContact O-CB 3.39Å; L269-Q273 PolarHBondContact O-N 2.9Å; V270-Q273 PolarHBondContact O-N 3.19Å; E271-Q273 VanDerWaalsContact C-N 3.34Å; E271-Q273 PolarHBondContact O-N 3.18Å; Q273-Q276 PolarHBondContact O-N 3.31Å; Q273-Q277 WeakPolarHBondContact O-CB 3.32Å; Q273-Q277 VanDerWaalsContact O-CG 3.29Å; Q273-Q277 WeakPolarHBondContact O-CG 3.26Å; Q273-Q277 PolarHBondContact O-N 2.9Å
274H98.1Very high97.2Very high112 Ų112110.8 Ų110.852%0.51952%0.515SS..Hα-helixtrans-68.2-40.8176.2-174.570.6000112.4V270 E271 Q277 T278V270-H274 PolarHBondContact O-N 3.5Å; E271-H274 PolarHBondContact O-N 3.38Å; H274-Q277 PolarHBondContact O-N 3.2Å; H274-T278 WeakPolarHBondContact O-CB 3.37Å; H274-T278 WeakPolarHBondContact O-CG2 3.26Å; H274-T278 PolarHBondContact O-N 3.4Å; H274-T278 PolarHBondContact O-OG1 3.28Å
275L97.4Very high97Very high108 Ų108113.1 Ų113.157%0.56552%0.524SS*.Hα-helixtrans-63.3-40.6173.4-73168.7000111.6E271 L272 T278 D279E271-L275 WeakPolarHBondContact O-CB 3.47Å; E271-L275 WeakPolarHBondContact O-CG 3.38Å; E271-L275 PolarHBondContact O-N 3.06Å; L272-L275 PolarHBondContact O-N 3.2Å; L275-T278 WeakPolarHBondContact CA-OG1 3.47Å; L275-T278 PolarHBondContact O-OG1 3.31Å; L275-D279 WeakPolarHBondContact O-CB 3.45Å; L275-D279 PolarHBondContact O-N 2.83Å
276Q96.8Very high96.6Very high127 Ų127111 Ų11159%0.59352%0.52SS*.Hα-helixtrans-63.7-44.1173.8-172.6-177.19.300111.6L272 Q273 L280L272-Q276 WeakPolarHBondContact O-CB 3.45Å; L272-Q276 PolarHBondContact O-N 3.07Å; Q273-Q276 PolarHBondContact O-N 3.31Å; Q276-L280 HydrophobicContact CG-CD1 4.08Å; Q276-L280 VanDerWaalsContact O-CB 3.31Å; Q276-L280 WeakPolarHBondContact O-CB 3.08Å; Q276-L280 WeakPolarHBondContact O-CG 3.31Å; Q276-L280 PolarHBondContact O-N 3Å
277Q97.5Very high96.2Very high98 Ų98109 Ų10946%0.45852%0.515SS..Hα-helixtrans-64-44.7177.2-74.7173.48.500112.3Q273 H274 L280 L281Q273-Q277 WeakPolarHBondContact O-CB 3.32Å; Q273-Q277 VanDerWaalsContact O-CG 3.29Å; Q273-Q277 WeakPolarHBondContact O-CG 3.26Å; Q273-Q277 PolarHBondContact O-N 2.9Å; H274-Q277 PolarHBondContact O-N 3.2Å; Q277-L280 PolarHBondContact O-N 2.76Å; Q277-L281 WeakPolarHBondContact O-CB 3.42Å; Q277-L281 VanDerWaalsContact O-CG 3.29Å; Q277-L281 WeakPolarHBondContact O-CG 3.23Å; Q277-L281 PolarHBondContact O-N 2.76Å
278T96.1Very high95.6Very high58 Ų58107 Ų10736%0.35652%0.522SS..Hα-helixtrans-69.4-36.4-179.649.40000112.5H274 L275 L281 R282H274-T278 WeakPolarHBondContact O-CB 3.37Å; H274-T278 WeakPolarHBondContact O-CG2 3.26Å; H274-T278 PolarHBondContact O-N 3.4Å; H274-T278 PolarHBondContact O-OG1 3.28Å; L275-T278 WeakPolarHBondContact CA-OG1 3.47Å; L275-T278 PolarHBondContact O-OG1 3.31Å; T278-L281 PolarHBondContact O-N 3.47Å; T278-R282 WeakPolarHBondContact O-CB 3.44Å; T278-R282 PolarHBondContact O-N 2.88Å
279D97.2Very high95.1Very high57 Ų57109.8 Ų109.831%0.30553%0.532SS..Hα-helixtrans-70.8-38.6172.4-170.749.7000112.4L275 L281 R282 R283L275-D279 WeakPolarHBondContact O-CB 3.45Å; L275-D279 PolarHBondContact O-N 2.83Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 2.96Å; D279-R282 PolarHBondContact O-N 3.36Å; D279-R283 WeakPolarHBondContact O-CB 3.38Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.47Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 2.59Å; D279-R283 IonicContact OD2-CZ 3.84Å; D279-R283 IonicContact OD2-NE 3.76Å; D279-R283 PolarHBondContact OD2-NE 3.5Å; D279-R283 IonicContact OD2-NH2 2.94Å; D279-R283 PolarHBondContact OD2-NH2 2.99Å
280L97Very high94.5Very high101 Ų101108.9 Ų108.953%0.52953%0.526SS..Hα-helixtrans-60.9-39.2171-76.2171.1000112.1Q276 Q277 R284Q276-L280 HydrophobicContact CG-CD1 4.08Å; Q276-L280 VanDerWaalsContact O-CB 3.31Å; Q276-L280 WeakPolarHBondContact O-CB 3.08Å; Q276-L280 WeakPolarHBondContact O-CG 3.31Å; Q276-L280 PolarHBondContact O-N 3Å; Q277-L280 PolarHBondContact O-N 2.76Å; L280-R284 VanDerWaalsContact O-CB 3.3Å; L280-R284 WeakPolarHBondContact O-CB 3.23Å; L280-R284 PolarHBondContact O-N 3.32Å
281L96.5Very high94Very high97 Ų97107.8 Ų107.851%0.50852%0.522SS..Hα-helixtrans-66.8-43174.1-73.4170.5000111.9Q277 T278 D279 R284 Q285Q277-L281 WeakPolarHBondContact O-CB 3.42Å; Q277-L281 VanDerWaalsContact O-CG 3.29Å; Q277-L281 WeakPolarHBondContact O-CG 3.23Å; Q277-L281 PolarHBondContact O-N 2.76Å; T278-L281 PolarHBondContact O-N 3.47Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 2.96Å; L281-R284 PolarHBondContact O-N 3.25Å; L281-Q285 WeakPolarHBondContact O-CG 3.49Å; L281-Q285 PolarHBondContact O-N 3Å
282R96.1Very high93Very high155 Ų155106.7 Ų106.759%0.58552%0.524SS*.Hα-helixtrans-58-49.5172.9171.9-174.5-82.4-172.9-5.4111.4T278 D279 R284 Q285 Q286T278-R282 WeakPolarHBondContact O-CB 3.44Å; T278-R282 PolarHBondContact O-N 2.88Å; D279-R282 PolarHBondContact O-N 3.36Å; R282-R284 VanDerWaalsContact C-N 3.35Å; R282-R284 PolarHBondContact O-N 3.14Å; R282-Q285 WeakPolarHBondContact O-CB 3.4Å; R282-Q285 PolarHBondContact O-N 3.21Å; R282-Q286 WeakPolarHBondContact O-CG 3.41Å; R282-Q286 PolarHBondContact O-N 3.28Å
283R94.8Very high92.2Very high147 Ų147106.5 Ų106.556%0.55552%0.52SS*.Hα-helixtrans-61.3-42.3177.2-69.2176.9-162.8-142.68.4111.3D279 Q285 Q286 V287D279-R283 WeakPolarHBondContact O-CB 3.38Å; D279-R283 VanDerWaalsContact O-CG 3.28Å; D279-R283 WeakPolarHBondContact O-CG 3.47Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 2.59Å; D279-R283 IonicContact OD2-CZ 3.84Å; D279-R283 IonicContact OD2-NE 3.76Å; D279-R283 PolarHBondContact OD2-NE 3.5Å; D279-R283 IonicContact OD2-NH2 2.94Å; D279-R283 PolarHBondContact OD2-NH2 2.99Å; R283-Q285 PolarHBondContact O-N 3.22Å; R283-Q286 PolarHBondContact O-N 3.21Å; R283-V287 WeakPolarHBondContact O-CG2 3.34Å; R283-V287 PolarHBondContact O-N 2.92Å
284R92.9Very high91.4Very high189 Ų189106.1 Ų106.171%0.71352%0.52SS*.Hα-helixtrans-62.1-41175.2-175.6178.5177.5-173.9-0.6112.1L280 L281 R282 V287 S288L280-R284 VanDerWaalsContact O-CB 3.3Å; L280-R284 WeakPolarHBondContact O-CB 3.23Å; L280-R284 PolarHBondContact O-N 3.32Å; L281-R284 PolarHBondContact O-N 3.25Å; R282-R284 VanDerWaalsContact C-N 3.35Å; R282-R284 PolarHBondContact O-N 3.14Å; R284-V287 PolarHBondContact O-N 2.91Å; R284-S288 WeakPolarHBondContact O-CB 3.31Å; R284-S288 PolarHBondContact O-N 2.97Å; R284-S288 PolarHBondContact O-OG 2.94Å
285Q92.9Very high90.6Very high118 Ų118106.2 Ų106.255%0.55152%0.519SS*.Hα-helixtrans-62.4-46.7174.7-74.3171.2-1.800111.3L281 R282 R283 V287 S288 Q289L281-Q285 WeakPolarHBondContact O-CG 3.49Å; L281-Q285 PolarHBondContact O-N 3Å; R282-Q285 WeakPolarHBondContact O-CB 3.4Å; R282-Q285 PolarHBondContact O-N 3.21Å; R283-Q285 PolarHBondContact O-N 3.22Å; Q285-V287 PolarHBondContact O-N 2.93Å; Q285-S288 WeakPolarHBondContact CA-OG 3.47Å; Q285-S288 PolarHBondContact O-N 3.5Å; Q285-S288 PolarHBondContact O-OG 3.42Å; Q285-Q289 WeakPolarHBondContact O-CG 3.42Å; Q285-Q289 PolarHBondContact O-N 3.1Å; Q285-Q289 VanDerWaalsContact O-N 3.08Å
286Q90.8Very high90Very high103 Ų103104.3 Ų104.348%0.48151%0.508SS..Hα-helixtrans-60.2-43.2175.3-70.9170.6-23.200112.1R282 R283 S288 Q289 M290R282-Q286 WeakPolarHBondContact O-CG 3.41Å; R282-Q286 PolarHBondContact O-N 3.28Å; R283-Q286 PolarHBondContact O-N 3.21Å; Q286-S288 PolarHBondContact O-N 2.88Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-M290 PolarHBondContact O-N 3.5Å
287V89.6Confident89.6Confident69 Ų69100.9 Ų100.942%0.41850%0.497SS..Hα-helixtrans-63.7-39.5174.9170.80000111.8R283 R284 Q285 Q289 M290 F295R283-V287 WeakPolarHBondContact O-CG2 3.34Å; R283-V287 PolarHBondContact O-N 2.92Å; R284-V287 PolarHBondContact O-N 2.91Å; Q285-V287 PolarHBondContact O-N 2.93Å; V287-Q289 PolarHBondContact O-N 3.33Å; V287-M290 HydrophobicContact CB-CE 4.39Å; V287-M290 HydrophobicContact CG2-CE 3.91Å; V287-M290 PolarHBondContact O-N 3.3Å; V287-F295 HydrophobicContact CG1-CE2 4.05Å; V287-F295 HydrophobicContact CG1-CZ 4.1Å; V287-F295 HydrophobicContact CG2-CZ 4.48Å
288S85.1Confident88.9Confident94 Ų94102 Ų10266%0.65751%0.505SS*.Hα-helixtrans-70.6-13.8175.466.70000114.9R284 Q285 Q286R284-S288 WeakPolarHBondContact O-CB 3.31Å; R284-S288 PolarHBondContact O-N 2.97Å; R284-S288 PolarHBondContact O-OG 2.94Å; Q285-S288 WeakPolarHBondContact CA-OG 3.47Å; Q285-S288 PolarHBondContact O-N 3.5Å; Q285-S288 PolarHBondContact O-OG 3.42Å; Q286-S288 PolarHBondContact O-N 2.88Å
289Q87.6Confident88.6Confident155 Ų155105.3 Ų105.372%0.72451%0.512SS*.Hα-helixtrans-92.1-12.5173.2-71.1172.23.900112.7Q285 Q286 V287Q285-Q289 WeakPolarHBondContact O-CG 3.42Å; Q285-Q289 PolarHBondContact O-N 3.1Å; Q285-Q289 VanDerWaalsContact O-N 3.08Å; Q286-Q289 PolarHBondContact O-N 2.95Å; V287-Q289 PolarHBondContact O-N 3.33Å
290M86.4Confident88.1Confident82 Ų82105.8 Ų105.840%0.40451%0.512SS..SBendtrans-85.5143.9174.8-74.7-172.8-77.400110.8Q286 V287 F295Q286-M290 PolarHBondContact O-N 3.5Å; V287-M290 HydrophobicContact CB-CE 4.39Å; V287-M290 HydrophobicContact CG2-CE 3.91Å; V287-M290 PolarHBondContact O-N 3.3Å; M290-F295 HydrophobicContact CB-CE2 3.98Å; M290-F295 HydrophobicContact CE-CE2 4.34Å; M290-F295 HydrophobicContact CE-CZ 3.81Å; M290-F295 HydrophobicContact SD-CZ 4.42Å
291P87.1Confident87.5Confident71 Ų71105 Ų10546%0.46150%0.503SS..  trans-55.1126.9177.9-26.833.9000112.1Q293 I294P291-Q293 VanDerWaalsContact CB-OE1 3.29Å; P291-Q293 PolarHBondContact O-N 3.09Å; P291-Q293 VanDerWaalsContact O-N 3.1Å; P291-I294 HydrophobicContact CB-CD1 4.33Å; P291-I294 HydrophobicContact CB-CG1 4.4Å; P291-I294 HydrophobicContact CG-CD1 4.3Å; P291-I294 WeakPolarHBondContact O-CB 3.38Å; P291-I294 WeakPolarHBondContact O-CG1 3.4Å; P291-I294 PolarHBondContact O-N 3.21Å
292P77.3Confident87Confident87 Ų87105.8 Ų105.857%0.56550%0.504SS*.G310 helixtrans-62.1-24.6-172.924.8-35.1000113.1I294 F295 Q296P292-I294 PolarHBondContact O-N 3.4Å; P292-F295 PolarHBondContact O-N 2.79Å; P292-F295 VanDerWaalsContact O-N 3.07Å; P292-Q296 PolarHBondContact O-N 3.1Å
293Q80.7Confident86.7Confident102 Ų102102.9 Ų102.948%0.47750%0.496SS..G310 helixtrans-54.6-35175.5-60.981.70.900112P291 F295 Q296 R301P291-Q293 VanDerWaalsContact CB-OE1 3.29Å; P291-Q293 PolarHBondContact O-N 3.09Å; P291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-F295 PolarHBondContact O-N 2.94Å; Q293-Q296 PolarHBondContact O-N 3.28Å; Q293-R301 PolarHBondContact O-NE 3.48Å; Q293-R301 PolarHBondContact O-NH2 2.77Å
294I81.6Confident86.3Confident98 Ų9897.9 Ų97.950%0.50349%0.487SS..G310 helixtrans-58.9-33.7-179.1-60.8175.5000111.3P291 P292 R301P291-I294 HydrophobicContact CB-CD1 4.33Å; P291-I294 HydrophobicContact CB-CG1 4.4Å; P291-I294 HydrophobicContact CG-CD1 4.3Å; P291-I294 WeakPolarHBondContact O-CB 3.38Å; P291-I294 WeakPolarHBondContact O-CG1 3.4Å; P291-I294 PolarHBondContact O-N 3.21Å; P292-I294 PolarHBondContact O-N 3.4Å; I294-R301 PolarHBondContact O-NH2 2.85Å; I294-R301 VanDerWaalsContact O-NH2 3.15Å
295F81.8Confident86.1Confident114 Ų11497.8 Ų97.850%0.549%0.487SS..G310 helixtrans-92.9-12.3-177.7-60-74.9000114.1V287 M290 P292 Q293V287-F295 HydrophobicContact CG1-CE2 4.05Å; V287-F295 HydrophobicContact CG1-CZ 4.1Å; V287-F295 HydrophobicContact CG2-CZ 4.48Å; M290-F295 HydrophobicContact CB-CE2 3.98Å; M290-F295 HydrophobicContact CE-CE2 4.34Å; M290-F295 HydrophobicContact CE-CZ 3.81Å; M290-F295 HydrophobicContact SD-CZ 4.42Å; P292-F295 PolarHBondContact O-N 2.79Å; P292-F295 VanDerWaalsContact O-N 3.07Å; Q293-F295 PolarHBondContact O-N 2.94Å
296Q85Confident86.1Confident68 Ų6896.6 Ų96.632%0.31848%0.481SS..SBendtrans-76.3132.7173.4-71.3173-41.500110.3P292 Q293 R301P292-Q296 PolarHBondContact O-N 3.1Å; Q293-Q296 PolarHBondContact O-N 3.28Å; Q296-R301 HydrophobicContact CB-CG 3.96Å; Q296-R301 VanDerWaalsContact O-CZ 3.28Å; Q296-R301 PolarHBondContact O-NE 3.44Å; Q296-R301 PolarHBondContact O-NH2 3.38Å
297P88.3Confident86.2Confident56 Ų5697 Ų9736%0.36448%0.483SS..  trans-53.4151.2166.5-26.235.1000112.3Y299 Q300 R301P297-Y299 VanDerWaalsContact C-N 3.29Å; P297-Y299 HydrophobicContact CB-CD1 3.59Å; P297-Y299 HydrophobicContact CB-CE1 3.49Å; P297-Y299 VanDerWaalsContact CB-CE1 3.49Å; P297-Y299 HydrophobicContact CG-CE1 4.01Å; P297-Y299 PolarHBondContact O-N 3.38Å; P297-Q300 HydrophobicContact CB-CG 4.39Å; P297-Q300 HydrophobicContact CG-CG 4.42Å; P297-Q300 PolarHBondContact O-N 3.17Å; P297-Q300 VanDerWaalsContact O-N 3.11Å; P297-R301 PolarHBondContact O-N 3.08Å
298L82.8Confident86.3Confident121 Ų12198.3 Ų98.363%0.63449%0.487SS*.Hα-helixtrans-57.8-40-176.3-67.2176.6000112.9Q300 R301 Q302L298-Q300 PolarHBondContact O-N 2.74Å; L298-R301 WeakPolarHBondContact O-CB 3.25Å; L298-R301 PolarHBondContact O-N 2.77Å; L298-R301 VanDerWaalsContact O-N 3.09Å; L298-Q302 PolarHBondContact O-N 2.83Å; L298-Q302 VanDerWaalsContact O-N 3.08Å
299Y89.1Confident86.7Confident127 Ų12799.1 Ų99.150%0.49848%0.48SS..Hα-helixtrans-61.5-42.5177.579.9-91.5000111.9P297 R301 Q302 E303P297-Y299 VanDerWaalsContact C-N 3.29Å; P297-Y299 HydrophobicContact CB-CD1 3.59Å; P297-Y299 HydrophobicContact CB-CE1 3.49Å; P297-Y299 VanDerWaalsContact CB-CE1 3.49Å; P297-Y299 HydrophobicContact CG-CE1 4.01Å; P297-Y299 PolarHBondContact O-N 3.38Å; Y299-R301 PolarHBondContact O-N 3.46Å; Y299-Q302 CarbonylContact O-C 3.59Å; Y299-Q302 WeakPolarHBondContact O-CA 3.46Å; Y299-Q302 WeakPolarHBondContact O-CB 3.49Å; Y299-Q302 PolarHBondContact O-N 2.75Å; Y299-E303 WeakPolarHBondContact CD2-OE1 3.22Å; Y299-E303 WeakPolarHBondContact CD2-OE2 3.33Å; Y299-E303 WeakPolarHBondContact CE2-OE2 3.47Å; Y299-E303 WeakPolarHBondContact O-CG 3.43Å; Y299-E303 PolarHBondContact O-N 3.16Å
300Q86.6Confident87Confident68 Ų6898.1 Ų98.132%0.31847%0.47SS..Hα-helixtrans-64.9-27.3175.3-62.5-1777.900113.1P297 L298 Q302 E303 A304P297-Q300 HydrophobicContact CB-CG 4.39Å; P297-Q300 HydrophobicContact CG-CG 4.42Å; P297-Q300 PolarHBondContact O-N 3.17Å; P297-Q300 VanDerWaalsContact O-N 3.11Å; L298-Q300 PolarHBondContact O-N 2.74Å; Q300-Q302 VanDerWaalsContact C-N 3.35Å; Q300-E303 WeakPolarHBondContact CA-OE2 3.2Å; Q300-A304 VanDerWaalsContact O-CB 3.26Å; Q300-A304 WeakPolarHBondContact O-CB 3.28Å; Q300-A304 PolarHBondContact O-N 2.98Å
301R85.4Confident87.4Confident85 Ų85100.5 Ų100.532%0.32148%0.48SS..Hα-helixtrans-76-24.2172.7-56.4177.7-158-179.11.5112.5Q293 I294 Q296 P297 L298 Y299 R305Q293-R301 PolarHBondContact O-NE 3.48Å; Q293-R301 PolarHBondContact O-NH2 2.77Å; I294-R301 PolarHBondContact O-NH2 2.85Å; I294-R301 VanDerWaalsContact O-NH2 3.15Å; Q296-R301 HydrophobicContact CB-CG 3.96Å; Q296-R301 VanDerWaalsContact O-CZ 3.28Å; Q296-R301 PolarHBondContact O-NE 3.44Å; Q296-R301 PolarHBondContact O-NH2 3.38Å; P297-R301 PolarHBondContact O-N 3.08Å; L298-R301 WeakPolarHBondContact O-CB 3.25Å; L298-R301 PolarHBondContact O-N 2.77Å; L298-R301 VanDerWaalsContact O-N 3.09Å; Y299-R301 PolarHBondContact O-N 3.46Å; R301-R305 VanDerWaalsContact O-CD 3.29Å; R301-R305 WeakPolarHBondContact O-CD 3.44Å; R301-R305 WeakPolarHBondContact O-CG 3.41Å
302Q85.2Confident87.6Confident113 Ų113102.4 Ų102.453%0.52849%0.486SS..Hα-helixtrans-79.9-49.9172.7-70.1164.8-35.800109.4L298 Y299 Q300 A304 R305 E306L298-Q302 PolarHBondContact O-N 2.83Å; L298-Q302 VanDerWaalsContact O-N 3.08Å; Y299-Q302 CarbonylContact O-C 3.59Å; Y299-Q302 WeakPolarHBondContact O-CA 3.46Å; Y299-Q302 WeakPolarHBondContact O-CB 3.49Å; Y299-Q302 PolarHBondContact O-N 2.75Å; Q300-Q302 VanDerWaalsContact C-N 3.35Å; Q302-A304 PolarHBondContact O-N 2.8Å; Q302-R305 CarbonylContact O-C 3.59Å; Q302-R305 WeakPolarHBondContact O-CA 3.19Å; Q302-R305 WeakPolarHBondContact O-CB 3.42Å; Q302-R305 PolarHBondContact O-N 3.18Å; Q302-E306 PolarHBondContact O-N 3.46Å
303E89Confident88.3Confident93 Ų93102.5 Ų102.544%0.43548%0.478SS..Hα-helixtrans-50.2-53.2172.3-69.6169.3158.100111.4Y299 Q300 R305 E306 E307Y299-E303 WeakPolarHBondContact CD2-OE1 3.22Å; Y299-E303 WeakPolarHBondContact CD2-OE2 3.33Å; Y299-E303 WeakPolarHBondContact CE2-OE2 3.47Å; Y299-E303 WeakPolarHBondContact O-CG 3.43Å; Y299-E303 PolarHBondContact O-N 3.16Å; Q300-E303 WeakPolarHBondContact CA-OE2 3.2Å; E303-R305 PolarHBondContact O-N 2.87Å; E303-E306 CarbonylContact O-C 3.59Å; E303-E306 PolarHBondContact O-N 3.03Å; E303-E306 VanDerWaalsContact O-N 3.14Å; E303-E307 WeakPolarHBondContact O-CB 3.28Å; E303-E307 WeakPolarHBondContact O-CG 3.38Å; E303-E307 PolarHBondContact O-N 3.2Å
304A87.9Confident88.7Confident43 Ų43103.5 Ų103.536%0.35548%0.482SS..Hα-helixtrans-67.1-19.317900000114.6Q300 Q302 L308Q300-A304 VanDerWaalsContact O-CB 3.26Å; Q300-A304 WeakPolarHBondContact O-CB 3.28Å; Q300-A304 PolarHBondContact O-N 2.98Å; Q302-A304 PolarHBondContact O-N 2.8Å; A304-L308 WeakPolarHBondContact O-CB 3.44Å; A304-L308 PolarHBondContact O-N 3.47Å
305R88.7Confident89.1Confident187 Ų187101.2 Ų101.271%0.70648%0.477SS*.Hα-helixtrans-82.3-40.1171.3-79.5171.9175.8-171.6-1.9111.4R301 Q302 E303 E307 L308 Q309R301-R305 VanDerWaalsContact O-CD 3.29Å; R301-R305 WeakPolarHBondContact O-CD 3.44Å; R301-R305 WeakPolarHBondContact O-CG 3.41Å; Q302-R305 CarbonylContact O-C 3.59Å; Q302-R305 WeakPolarHBondContact O-CA 3.19Å; Q302-R305 WeakPolarHBondContact O-CB 3.42Å; Q302-R305 PolarHBondContact O-N 3.18Å; E303-R305 PolarHBondContact O-N 2.87Å; R305-E307 VanDerWaalsContact C-N 3.35Å; R305-L308 PolarHBondContact O-N 2.72Å; R305-Q309 WeakPolarHBondContact O-CB 3.28Å; R305-Q309 PolarHBondContact O-N 3.17Å
306E91.9Very high89.3Confident93 Ų93101.5 Ų101.544%0.43548%0.478SS..Hα-helixtrans-66.7-36.7172.8-71.6-178.5-136.800111.4Q302 E303 Q309 R310Q302-E306 PolarHBondContact O-N 3.46Å; E303-E306 CarbonylContact O-C 3.59Å; E303-E306 PolarHBondContact O-N 3.03Å; E303-E306 VanDerWaalsContact O-N 3.14Å; E306-Q309 PolarHBondContact O-N 3.04Å; E306-R310 VanDerWaalsContact O-CB 3.3Å; E306-R310 WeakPolarHBondContact O-CB 3.42Å; E306-R310 WeakPolarHBondContact O-CD 3.37Å; E306-R310 WeakPolarHBondContact O-CG 3.33Å; E306-R310 PolarHBondContact O-N 2.77Å; E306-R310 IonicContact OE2-CZ 2.71Å; E306-R310 IonicContact OE2-NH2 2.97Å; E306-R310 PolarHBondContact OE2-NH2 2.88Å
307E92.4Very high89.2Confident112 Ų112103.9 Ų103.952%0.52349%0.49SS..Hα-helixtrans-63-48.8172.3-74.3174.4161.600110.8E303 R305 Q309 R310 E311E303-E307 WeakPolarHBondContact O-CB 3.28Å; E303-E307 WeakPolarHBondContact O-CG 3.38Å; E303-E307 PolarHBondContact O-N 3.2Å; R305-E307 VanDerWaalsContact C-N 3.35Å; E307-Q309 VanDerWaalsContact C-N 3.29Å; E307-Q309 PolarHBondContact O-N 2.84Å; E307-R310 CarbonylContact O-C 3.58Å; E307-R310 PolarHBondContact O-N 3.4Å; E307-E311 WeakPolarHBondContact O-CG 3.21Å; E307-E311 PolarHBondContact O-N 2.68Å
308L92.4Very high89Confident96 Ų96105.1 Ų105.150%0.50349%0.493SS..Hα-helixtrans-60.5-38.2173.1178.363.2000112.2A304 R305 E311 L312A304-L308 WeakPolarHBondContact O-CB 3.44Å; A304-L308 PolarHBondContact O-N 3.47Å; R305-L308 PolarHBondContact O-N 2.72Å; L308-E311 PolarHBondContact O-N 3.49Å; L308-L312 HydrophobicContact CD1-CD1 4.39Å; L308-L312 HydrophobicContact CD1-CG 4.5Å; L308-L312 HydrophobicContact CG-CD1 4.21Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.4Å; L308-L312 PolarHBondContact O-N 2.97Å
309Q92.8Very high88.6Confident110 Ų110106 Ų10651%0.51450%0.496SS..Hα-helixtrans-66.7-43.6176-174.1178.5-38.500110.9R305 E306 E307 E311 L312 E313R305-Q309 WeakPolarHBondContact O-CB 3.28Å; R305-Q309 PolarHBondContact O-N 3.17Å; E306-Q309 PolarHBondContact O-N 3.04Å; E307-Q309 VanDerWaalsContact C-N 3.29Å; E307-Q309 PolarHBondContact O-N 2.84Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.86Å; Q309-L312 CarbonylContact O-C 3.58Å; Q309-L312 PolarHBondContact O-N 3.08Å; Q309-L312 VanDerWaalsContact O-N 3.16Å; Q309-E313 HydrophobicContact CG-CG 4.33Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.25Å; Q309-E313 PolarHBondContact NE2-OE1 3.41Å; Q309-E313 WeakPolarHBondContact O-CB 3.18Å; Q309-E313 VanDerWaalsContact O-CG 3.26Å; Q309-E313 WeakPolarHBondContact O-CG 3.33Å; Q309-E313 PolarHBondContact O-N 2.92Å
310R94.1Very high87.6Confident134 Ų134107.5 Ų107.551%0.50650%0.502SS..Hα-helixtrans-66.1-32.7175.2-68.7163.3-159.3172.75.9112.1E306 E307 F314E306-R310 VanDerWaalsContact O-CB 3.3Å; E306-R310 WeakPolarHBondContact O-CB 3.42Å; E306-R310 WeakPolarHBondContact O-CD 3.37Å; E306-R310 WeakPolarHBondContact O-CG 3.33Å; E306-R310 PolarHBondContact O-N 2.77Å; E306-R310 IonicContact OE2-CZ 2.71Å; E306-R310 IonicContact OE2-NH2 2.97Å; E306-R310 PolarHBondContact OE2-NH2 2.88Å; E307-R310 CarbonylContact O-C 3.58Å; E307-R310 PolarHBondContact O-N 3.4Å; R310-F314 WeakPolarHBondContact O-CB 3.46Å; R310-F314 PolarHBondContact O-N 3.2Å
311E95.1Very high86.6Confident132 Ų132108 Ų10862%0.61751%0.509SS*.Hα-helixtrans-67-38.9170.7-76.9-176.2169.500111.6E307 L308 Q309 A315E307-E311 WeakPolarHBondContact O-CG 3.21Å; E307-E311 PolarHBondContact O-N 2.68Å; L308-E311 PolarHBondContact O-N 3.49Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 2.86Å; E311-A315 VanDerWaalsContact O-CB 3.23Å; E311-A315 WeakPolarHBondContact O-CB 3.4Å; E311-A315 PolarHBondContact O-N 3.02Å
312L92.1Very high85.5Confident111 Ų111105.8 Ų105.858%0.58151%0.513SS*.Hα-helixtrans-73.2-38175.7-71.2168.4000112.5L308 Q309 A315 F316L308-L312 HydrophobicContact CD1-CD1 4.39Å; L308-L312 HydrophobicContact CD1-CG 4.5Å; L308-L312 HydrophobicContact CG-CD1 4.21Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.4Å; L308-L312 PolarHBondContact O-N 2.97Å; Q309-L312 CarbonylContact O-C 3.58Å; Q309-L312 PolarHBondContact O-N 3.08Å; Q309-L312 VanDerWaalsContact O-N 3.16Å; L312-A315 PolarHBondContact O-N 3.44Å; L312-F316 VanDerWaalsContact O-CB 3.25Å; L312-F316 WeakPolarHBondContact O-CB 3.47Å; L312-F316 PolarHBondContact O-N 2.92Å
313E91Very high84.2Confident89 Ų89108.7 Ų108.742%0.41653%0.527SS..Hα-helixtrans-64.7-47171.7-74.2165.9174.300110.1Q309 A315 F316 E317Q309-E313 HydrophobicContact CG-CG 4.33Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.25Å; Q309-E313 PolarHBondContact NE2-OE1 3.41Å; Q309-E313 WeakPolarHBondContact O-CB 3.18Å; Q309-E313 VanDerWaalsContact O-CG 3.26Å; Q309-E313 WeakPolarHBondContact O-CG 3.33Å; Q309-E313 PolarHBondContact O-N 2.92Å; E313-A315 PolarHBondContact O-N 3.26Å; E313-F316 CarbonylContact O-C 3.57Å; E313-F316 WeakPolarHBondContact O-CB 3.46Å; E313-F316 PolarHBondContact O-N 2.99Å; E313-E317 WeakPolarHBondContact O-CB 3.38Å; E313-E317 WeakPolarHBondContact O-CG 3.35Å; E313-E317 PolarHBondContact O-N 3Å
314F89.7Confident82.6Confident124 Ų124112.5 Ų112.554%0.54454%0.537SS..Hα-helixtrans-61.6-41.8174.1-178.5-94.9000111.9R310 F316 E317 D318R310-F314 WeakPolarHBondContact O-CB 3.46Å; R310-F314 PolarHBondContact O-N 3.2Å; F314-F316 VanDerWaalsContact C-N 3.34Å; F314-F316 PolarHBondContact O-N 3.46Å; F314-E317 PolarHBondContact O-N 2.64Å; F314-D318 WeakPolarHBondContact CE1-OD2 3.33Å; F314-D318 WeakPolarHBondContact O-CB 3.33Å; F314-D318 PolarHBondContact O-N 3.26Å
315A90.5Very high81.1Confident50 Ų50121.4 Ų121.441%0.41356%0.562SS.*Hα-helixtrans-66.1-34.9174.800000112.6E311 L312 E313 M319E311-A315 VanDerWaalsContact O-CB 3.23Å; E311-A315 WeakPolarHBondContact O-CB 3.4Å; E311-A315 PolarHBondContact O-N 3.02Å; L312-A315 PolarHBondContact O-N 3.44Å; E313-A315 PolarHBondContact O-N 3.26Å; A315-M319 WeakPolarHBondContact O-CG 3.45Å; A315-M319 PolarHBondContact O-N 3.45Å
316F85.1Confident79.4Confident119 Ų119118.7 Ų118.752%0.52257%0.565SS.*Hα-helixtrans-69.6-42.3174-179.1-89.9000111.6L312 E313 F314 M319 Y320L312-F316 VanDerWaalsContact O-CB 3.25Å; L312-F316 WeakPolarHBondContact O-CB 3.47Å; L312-F316 PolarHBondContact O-N 2.92Å; E313-F316 CarbonylContact O-C 3.57Å; E313-F316 WeakPolarHBondContact O-CB 3.46Å; E313-F316 PolarHBondContact O-N 2.99Å; F314-F316 VanDerWaalsContact C-N 3.34Å; F314-F316 PolarHBondContact O-N 3.46Å; F316-M319 PolarHBondContact O-N 3.04Å; F316-Y320 HydrophobicContact CD1-CD2 4.12Å; F316-Y320 HydrophobicContact CD2-CD2 4.34Å; F316-Y320 HydrophobicContact CD2-CE2 4.29Å; F316-Y320 AromaticContact CE1-CD2 3.72Å; F316-Y320 HydrophobicContact CE1-CD2 3.72Å; F316-Y320 AromaticContact CE1-CE2 3.92Å; F316-Y320 HydrophobicContact CE1-CE2 3.92Å; F316-Y320 AromaticContact CE2-CD2 3.97Å; F316-Y320 HydrophobicContact CE2-CD2 3.97Å; F316-Y320 AromaticContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CG-CD2 4.41Å; F316-Y320 AromaticContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CD2 3.64Å; F316-Y320 AromaticContact CZ-CE2 3.34Å; F316-Y320 HydrophobicContact CZ-CE2 3.34Å; F316-Y320 PolarHBondContact O-N 3.29Å
317E83.3Confident77.4Confident118 Ų118123.9 Ų123.955%0.55159%0.587SS**Hα-helixtrans-62.8-42.1171.3-74.5-170.316600111.6E313 F314 M319 Y320 T321E313-E317 WeakPolarHBondContact O-CB 3.38Å; E313-E317 WeakPolarHBondContact O-CG 3.35Å; E313-E317 PolarHBondContact O-N 3Å; F314-E317 PolarHBondContact O-N 2.64Å; E317-M319 VanDerWaalsContact C-N 3.29Å; E317-M319 PolarHBondContact O-N 3.24Å; E317-Y320 PolarHBondContact O-N 3.4Å; E317-T321 WeakPolarHBondContact O-CA 3.31Å; E317-T321 VanDerWaalsContact O-CB 3.23Å; E317-T321 WeakPolarHBondContact O-CB 3.45Å; E317-T321 VanDerWaalsContact O-CG2 3.31Å; E317-T321 WeakPolarHBondContact O-CG2 3.44Å; E317-T321 PolarHBondContact O-N 3.02Å; E317-T321 PolarHBondContact O-OG1 2.81Å
318D84.4Confident76Confident83 Ų83121.4 Ų121.444%0.44459%0.591SS.*Hα-helixtrans-63.6-34.3175-109.2-3.3000111.3F314 G322F314-D318 WeakPolarHBondContact CE1-OD2 3.33Å; F314-D318 WeakPolarHBondContact O-CB 3.33Å; F314-D318 PolarHBondContact O-N 3.26Å; D318-G322 WeakPolarHBondContact O-CA 3.32Å; D318-G322 PolarHBondContact O-N 3.42Å
319M74.8Confident74Confident139 Ų139124.7 Ų124.769%0.68561%0.609SS**Hα-helixtrans-68.9-41.5171.3-70.5-151.1-57.100113A315 F316 E317A315-M319 WeakPolarHBondContact O-CG 3.45Å; A315-M319 PolarHBondContact O-N 3.45Å; F316-M319 PolarHBondContact O-N 3.04Å; E317-M319 VanDerWaalsContact C-N 3.29Å; E317-M319 PolarHBondContact O-N 3.24Å
320Y67.4Low72Confident158 Ų158126.8 Ų126.862%0.6262%0.623SS**Hα-helixtrans-82.8-22.5-178.5-91.3-88.4000114.8F316 E317F316-Y320 HydrophobicContact CD1-CD2 4.12Å; F316-Y320 HydrophobicContact CD2-CD2 4.34Å; F316-Y320 HydrophobicContact CD2-CE2 4.29Å; F316-Y320 AromaticContact CE1-CD2 3.72Å; F316-Y320 HydrophobicContact CE1-CD2 3.72Å; F316-Y320 AromaticContact CE1-CE2 3.92Å; F316-Y320 HydrophobicContact CE1-CE2 3.92Å; F316-Y320 AromaticContact CE2-CD2 3.97Å; F316-Y320 HydrophobicContact CE2-CD2 3.97Å; F316-Y320 AromaticContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CE2-CE2 3.55Å; F316-Y320 HydrophobicContact CG-CD2 4.41Å; F316-Y320 AromaticContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CD2 3.64Å; F316-Y320 AromaticContact CZ-CE2 3.34Å; F316-Y320 HydrophobicContact CZ-CE2 3.34Å; F316-Y320 PolarHBondContact O-N 3.29Å; E317-Y320 PolarHBondContact O-N 3.4Å
321T66.1Low70Confident78 Ų78126.8 Ų126.848%0.47964%0.637SS.*Hα-helixtrans-109.6-22.3-178.371.20000113.2E317 E323 R324E317-T321 WeakPolarHBondContact O-CA 3.31Å; E317-T321 VanDerWaalsContact O-CB 3.23Å; E317-T321 WeakPolarHBondContact O-CB 3.45Å; E317-T321 VanDerWaalsContact O-CG2 3.31Å; E317-T321 WeakPolarHBondContact O-CG2 3.44Å; E317-T321 PolarHBondContact O-N 3.02Å; E317-T321 PolarHBondContact O-OG1 2.81Å; T321-E323 VanDerWaalsContact C-N 3.32Å; T321-E323 PolarHBondContact O-N 2.92Å; T321-R324 CarbonylContact O-C 3.54Å; T321-R324 WeakPolarHBondContact O-CA 3.42Å; T321-R324 PolarHBondContact O-N 3.42Å
322G62.2Low68.2Low39 Ų39124.7 Ų124.740%0.40263%0.633SS.*Hα-helixtrans-60-39.6175.300000112.7D318 R324D318-G322 WeakPolarHBondContact O-CA 3.32Å; D318-G322 PolarHBondContact O-N 3.42Å; G322-R324 PolarHBondContact O-N 3.46Å
323E58.2Low66.1Low174 Ų174127.3 Ų127.381%0.81364%0.643SS**THydrogen-bonded Turntrans-69.1-15.7171.7-63.4-161.4151.300113.4T321T321-E323 VanDerWaalsContact C-N 3.32Å; T321-E323 PolarHBondContact O-N 2.92Å
324R54.8Low64.2Low174 Ų174130.3 Ų130.366%0.65766%0.661SS**THydrogen-bonded Turntrans-102.326.5-176.1-67.8-165.2174.7-151.41.6114.7T321 G322 V326T321-R324 CarbonylContact O-C 3.54Å; T321-R324 WeakPolarHBondContact O-CA 3.42Å; T321-R324 PolarHBondContact O-N 3.42Å; G322-R324 PolarHBondContact O-N 3.46Å; R324-V326 PolarHBondContact O-N 2.89Å
325R56.3Low62.1Low229 Ų229130.3 Ų130.386%0.86467%0.671SS**  trans-74.345.5163.1-67.6-164.9176.5-146.10.1113.2
326V52Low60.5Low130 Ų130133.5 Ų133.579%0.78869%0.687SS**SBendtrans-118.7128.3169.2-178.10000108.5R324R324-V326 PolarHBondContact O-N 2.89Å
327K51.2Low59.1Low203 Ų203136.4 Ų136.488%0.88370%0.703SS**  trans-52.4135.5-166.9-58.3166178.3176.30114.9
328G61.6Low57.6Low59 Ų59136.3 Ų136.361%0.60871%0.712SS**SBendtrans72.6137.5133.900000118.8L330G328-L330 PolarHBondContact O-N 3.39Å
329D50.6Low55.6Low166 Ų166140.2 Ų140.289%0.88873%0.732SS**  trans58.249.8157-54.4-12.2000117.8
330L52.1Low54.3Low153 Ų153139.7 Ų139.780%0.80174%0.739SS**  trans-121.9107.4146.6-88.994.3000111.1G328 V332G328-L330 PolarHBondContact O-N 3.39Å; L330-V332 PolarHBondContact O-N 3.45Å; L330-V332 VanDerWaalsContact O-N 3.17Å
331V52Low52.7Low134 Ų134136.8 Ų136.881%0.81275%0.748SS**  trans-72.4102.5165.7179.50000108.1Q333V331-Q333 VanDerWaalsContact C-N 3.34Å; V331-Q333 HydrophobicContact CG1-CG 4.23Å; V331-Q333 PolarHBondContact O-N 2.92Å
332V56.6Low51.5Low88 Ų88139.4 Ų139.453%0.53377%0.769SS.*  trans-78.286.8173.4-174.30000108.8L330 L334L330-V332 PolarHBondContact O-N 3.45Å; L330-V332 VanDerWaalsContact O-N 3.17Å; V332-L334 HydrophobicContact CG1-CD2 3.89Å; V332-L334 HydrophobicContact CG1-CG 4.13Å; V332-L334 PolarHBondContact O-N 3.15Å
333Q48.3Very low50.2Low166 Ų166143.1 Ų143.178%0.77679%0.789SS**  trans-67.897.4162.6-77.9-174.6-19.500108.8V331 V335V331-Q333 VanDerWaalsContact C-N 3.34Å; V331-Q333 HydrophobicContact CG1-CG 4.23Å; V331-Q333 PolarHBondContact O-N 2.92Å; Q333-V335 PolarHBondContact O-N 2.92Å; Q333-V335 VanDerWaalsContact O-N 3.14Å
334L52Low49.3Very low152 Ų152140.4 Ų140.480%0.79679%0.79SS**  trans-70.3102.7164.2-66.4177.3000108.1V332 P336V332-L334 HydrophobicContact CG1-CD2 3.89Å; V332-L334 HydrophobicContact CG1-CG 4.13Å; V332-L334 PolarHBondContact O-N 3.15Å; L334-P336 WeakPolarHBondContact O-CD 3.48Å
335V45.5Very low48.4Very low125 Ų125139.1 Ų139.176%0.75880%0.801SS**PPolyproline II helixtrans-75120169.5178.30000107.7Q333 E337Q333-V335 PolarHBondContact O-N 2.92Å; Q333-V335 VanDerWaalsContact O-N 3.14Å; V335-E337 PolarHBondContact O-N 3.08Å
336P56.2Low47.5Very low116 Ų116131.2 Ų131.275%0.75379%0.791SS**PPolyproline II helixtrans-67.9126.5177.9-19.633.3000111.1L334L334-P336 WeakPolarHBondContact O-CD 3.48Å
337E54.9Low46.8Very low181 Ų181133.5 Ų133.585%0.84679%0.793SS**PPolyproline II helixtrans-76.9124171.1-171169.7-16800109.3V335 L339V335-E337 PolarHBondContact O-N 3.08Å; E337-L339 PolarHBondContact O-N 2.83Å
338P52.5Low46.3Very low116 Ų116130.4 Ų130.475%0.75379%0.786SS**PPolyproline II helixtrans-77.8123.9-172.329.5-34000112
339L42.5Very low45.3Very low165 Ų165134.8 Ų134.886%0.86480%0.795SS**PPolyproline II helixtrans-64.8138.4172.8-65.3172.8000111.1E337E337-L339 PolarHBondContact O-N 2.83Å
340P47.3Very low44.7Very low127 Ų127133 Ų13383%0.82579%0.785SS**PPolyproline II helixtrans-69.8137.7173.529.4-34000111.1
341A33.3Very low44.2Very low98 Ų98132.5 Ų132.581%0.8178%0.782SS**PPolyproline II helixtrans-77.7151.1-177.900000113.2
342S40.7Very low43.8Very low132 Ų132133 Ų13392%0.92378%0.781SS**PPolyproline II helixtrans-58.7136.5176.2-42.90000112.6
343S35Very low43.4Very low118 Ų118134 Ų13483%0.82579%0.789SS**  trans-115.7125.7167.453.50000110.9
344S40.3Very low42.9Very low117 Ų117133 Ų13382%0.81879%0.789SS**  trans-86.6133.8172.948.80000110.5
345T35.7Very low42.4Very low147 Ų147136.8 Ų136.890%0.90279%0.792SS**  trans-156.3113.8156.6-66.30000106.7
346G37.7Very low42Very low63 Ų63137.6 Ų137.665%0.64979%0.793SS**  trans-111.8150.8168.500000109.5
347Q37.3Very low41Very low178 Ų178139.1 Ų139.183%0.83279%0.794SS**  trans-171.1109.1134.4-105.2169.2-12.400109.6
348D40Very low40Very low138 Ų138137.1 Ų137.174%0.73879%0.789SS**  45.1124.7127.4-40.8-20.3000119
349L41.4Very low39Very low151 Ų151137.6 Ų137.679%0.79179%0.789SS**  -170.7116.3108.6-94.5166.7000111.7
350D37.9Very low38.7Very low128 Ų128135 Ų13568%0.68478%0.781SS**  trans65.6111.6142.9-59.7-4.5000123.6
351L40Very low38.1Very low142 Ų142134.8 Ų134.874%0.74378%0.776SS**  trans76.593.6130.4-59.3169.2000120.7
352D44.2Very low38.1Very low145 Ų145137.5 Ų137.578%0.77578%0.777SS**  43150.9106.4-60.7-9.6000122.1
353P48.5Very low37.9Very low108 Ų108139.1 Ų139.170%0.70177%0.77SS**  cis-131.1-154.7-4.637-16.1000113.3
354D37.5Very low37.8Very low145 Ų145140.8 Ų140.878%0.77577%0.77SS**  trans74.386.4166.6-63.8-0.3000117.7
355R41.6Very low37.4Very low232 Ų232140.3 Ų140.388%0.87577%0.773SS**  -176.988.9104.6-169.5176.2-163.1120.15.2112.9
356D37.8Very low37.3Very low142 Ų142142.2 Ų142.276%0.75977%0.772SS**  trans-68.5154.1173.5-46-62.4000112.5
357L34.1Very low37.8Very low148 Ų148144.2 Ų144.278%0.77577%0.774SS**  trans-154.157.6171.9-137.3168.4000110.9V359L357-V359 PolarHBondContact O-N 2.82Å
358D33.8Very low37.4Very low140 Ų140144.8 Ų144.875%0.74978%0.776SS**  trans-59.7132.5176.9-77.2-35.6000112.7
359V33.2Very low37Very low125 Ų125142.6 Ų142.676%0.75878%0.777SS**  trans-136.787.8155.3-177.30000107L357 V361L357-V359 PolarHBondContact O-N 2.82Å; V359-V361 PolarHBondContact O-N 3.2Å
360T34.3Very low36.6Very low112 Ų112145.1 Ų145.169%0.68779%0.785SS**  trans-69.6125.4176.449.10000110.7
361V36.3Very low36.2Very low121 Ų121145.3 Ų145.373%0.73379%0.786SS**  trans-131.2100.6165.2178.30000106.5V359V359-V361 PolarHBondContact O-N 3.2Å
362D32.1Very low35.9Very low155 Ų155146 Ų14683%0.82979%0.789SS**  trans-83.8132.7175.4-65.7-53000110.4
363E37.4Very low35.4Very low166 Ų166146.1 Ų146.178%0.77679%0.785SS**  trans-119124.7164.9-73.1-165.1150.200110.3
364N32.2Very low34.5Very low153 Ų153147.6 Ų147.682%0.81879%0.787SS**  trans48.3116.8147.6-53.3-38.6000120.4
365A31.1Very low34.1Very low107 Ų107149.6 Ų149.688%0.88479%0.791SS**  trans-143.597.3152.300000111.7
366E34.8Very low33.9Very low188 Ų188144 Ų14488%0.87978%0.783SS**  trans-100.1162.5145.8-90.1-171.2-159.900106.6
367P47.9Very low33.8Very low105 Ų105145.7 Ų145.768%0.68279%0.786SS**  cis-145.4-162.631.331.3-4.6000116.2
368E30Very low33.6Very low189 Ų189142.3 Ų142.388%0.88379%0.787SS**  trans97.8147.6155.7-47.4-154.2159.800118.7
369A31.6Very low33.6Very low92 Ų92143.5 Ų143.576%0.7679%0.788SS**  trans-103.1168.3-156.400000113.3
370E32.9Very low33.4Very low204 Ų204146 Ų14695%0.95379%0.792SS**  -157.3163.7123.6-116.5175.8-15700113.3
371N29.2Very low33.4Very low132 Ų132149.5 Ų149.571%0.70680%0.8SS**  trans-114.7136.8-162.1123.877.3000113.1
372I33.7Very low33.1Very low156 Ų156150.4 Ų150.480%0.881%0.806SS**  trans-141.8109.5161.6-56.6-176.9000110.2
373Q32.6Very low33.1Very low148 Ų148146.3 Ų146.369%0.69279%0.793SS**  23.1156.1124.6-54171.68.500119.5
374N30.2Very low32.7Very low140 Ų140146.3 Ų146.375%0.74980%0.799SS**  cis179.3149.6-23.2-98.2-11.6000105.6
375E30.1Very low32.6Very low187 Ų187142 Ų14287%0.87479%0.79SS**  trans154.5122.7157.9-91.2165.1-156.100107.7
376V36.5Very low32.6Very low115 Ų115144.3 Ų144.370%0.69778%0.783SS**  cis71.7120.228.7-167.60000110.7
377E36.8Very low32.5Very low176 Ų176145.3 Ų145.382%0.82278%0.779SS**  cis-149.2177.915.1-141.4150.6-124.900111.5
378G29.9Very low31.7Very low78 Ų78144.8 Ų144.880%0.80478%0.777SS**  trans170.361.3176.700000116.6
379E32.3Very low31.5Very low165 Ų165144.3 Ų144.377%0.77177%0.773SS**  trans-75.9161.4178.4-51-173.9140.100113.8
380Q29.3Very low31.4Very low178 Ų178147.2 Ų147.283%0.83277%0.771SS**  176136.5104.2-165129.473.500111.9
381E34.1Very low31.5Very low184 Ų184142.3 Ų142.386%0.8676%0.759SS**  trans-94.9-157.8173.5-59.7-167.2124.400112.6
382V30.6Very low31.6Very low140 Ų140140.4 Ų140.485%0.84876%0.761SS**  trans103.5135.9163.3-178.80000115.8
383A32.4Very low31.4Very low69 Ų69137.8 Ų137.857%0.5776%0.757SS**  cis-171.7165.2-30.700000109.5
384D28Very low31.2Very low166 Ų166141 Ų14189%0.88876%0.763SS**  trans55155.7153.8-52.4-28.3000120.9
385G30.5Very low31Very low62 Ų62142.5 Ų142.564%0.63976%0.763SS**  cis-159.5153.9-5.500000109.4
386E31.6Very low31.2Very low157 Ų157139 Ų13973%0.73475%0.754SS**  59.9136.587.2-67.8-148.1142.900114.9
387R33.3Very low30.9Very low209 Ų209138 Ų13879%0.78975%0.752SS**  cis-161177.911.6-111.2177-132.9-175.45.5107.3
388S30.6Very low30.7Very low93 Ų93136.8 Ų136.865%0.6575%0.751SS**  cis-172.2-170.8-6.250.30000109.5
389F25.1Very low30.7Very low179 Ų179138.3 Ų138.379%0.78575%0.75SS**  trans74.9146.8169.3-93.3-121.5000116.8
390E30.2Very low30.7Very low154 Ų154138.2 Ų138.272%0.7275%0.754SS**  cis-146.6142.66.3-168.2162.6-142.100114.8
391S34.7Very low31.5Very low101 Ų101135.6 Ų135.671%0.70675%0.752SS**  trans21.6138.4155.1-53.50000126.4
392A30.4Very low31.5Very low92 Ų92131.1 Ų131.176%0.7675%0.746SS**  trans70.9151.3137.800000121.4
393S29.7Very low31.7Very low100 Ų100132 Ų13270%0.69975%0.746SS**  cis171.7128.9-44.451.70000109.6
394R28.3Very low31.7Very low216 Ų216134.7 Ų134.782%0.81576%0.756SS**  trans172.5133.5138.5-102.3170.3179.8164.94.2113.9
395F27.4Very low32.3Very low172 Ų172131.2 Ų131.275%0.75474%0.74SS**  trans57.1125.8152.1-59.7-50.7000118.9
396T32.9Very low33.4Very low114 Ų114133.9 Ų133.970%0.69975%0.746SS**  cis-163.3154.8-5.7-19.60000110.6
397S31.1Very low34.6Very low92 Ų92130.5 Ų130.564%0.64374%0.738SS**  trans35128.5148.856.40000120.7
398N32.9Very low36Very low151 Ų151129 Ų12981%0.80773%0.733SS**  cis-156.6145.218.4-99.2-13000114.4
399S28.8Very low37.8Very low111 Ų111130.1 Ų130.178%0.77673%0.727SS**  trans39.7105.6149.360.70000121.9
400L33.2Very low39.9Very low163 Ų163124.9 Ų124.985%0.85372%0.717SS**  trans-53.9177.1141.5-90.570.3000112.5
401P46.2Very low42.1Very low122 Ų122122.5 Ų122.579%0.79271%0.709SS**  cis-123.1-159.211.242-23.6000112.2
402A33Very low44.4Very low90 Ų90126 Ų12674%0.74471%0.707SS**  cis-152.6174.17.500000112.7
403D35Very low46.9Very low159 Ų159128 Ų12885%0.8570%0.698SS**  trans-99.2156.2176.4-69.9-74.5000114.5
404V32.5Very low49.5Very low126 Ų126128 Ų12876%0.76469%0.689SS**  174.7108.2122160.80000107.6
405T39.9Very low52.3Low92 Ų92121.3 Ų121.356%0.56467%0.67SS**  trans-14782.116648.80000114.8P407T405-P407 WeakPolarHBondContact O-CD 3.49Å
406P55Low55Low118 Ų118116.4 Ų116.477%0.76665%0.651SS**THydrogen-bonded Turntrans-84.826.7175.635.7-36.3000118.4
407P57.1Low57.6Low87 Ų87119.1 Ų119.157%0.56565%0.649SS**THydrogen-bonded Turntrans-103.5-23.6162.535.2-30.4000113.3T405 H409 A410 L411T405-P407 WeakPolarHBondContact O-CD 3.49Å; P407-H409 PolarHBondContact O-N 2.85Å; P407-A410 PolarHBondContact O-N 3.38Å; P407-L411 PolarHBondContact O-N 3.47Å
408R62.4Low60.1Low178 Ų178118.9 Ų118.967%0.67264%0.639SS**Hα-helixtrans-70.4-29.2-169.6-77.5179.4168.1162.9-3.2113.6R412R408-R412 VanDerWaalsContact O-CB 3.26Å; R408-R412 WeakPolarHBondContact O-CB 3.38Å; R408-R412 PolarHBondContact O-N 2.88Å
409H67.3Low62.5Low116 Ų116119.2 Ų119.254%0.53763%0.629SS.*Hα-helixtrans-69.6-35.5178.7-163.7-10000112.4P407 R412 K413P407-H409 PolarHBondContact O-N 2.85Å; H409-R412 PolarHBondContact O-N 3.49Å; H409-K413 WeakPolarHBondContact CE1-CE 3.44Å; H409-K413 PolarHBondContact NE2-NZ 2.93Å; H409-K413 WeakPolarHBondContact O-CB 3.28Å; H409-K413 PolarHBondContact O-N 3.28Å
410A70.6Confident64.8Low69 Ų69116 Ų11657%0.5761%0.607SS**Hα-helixtrans-64.6-48.7175.500000111P407 R412 K413 L414P407-A410 PolarHBondContact O-N 3.38Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 2.97Å; A410-K413 PolarHBondContact O-N 3.04Å; A410-L414 WeakPolarHBondContact O-CB 3.23Å; A410-L414 PolarHBondContact O-N 3.5Å
411L76.1Confident66.8Low103 Ų103113.2 Ų113.254%0.53959%0.589SS.*Hα-helixtrans-59.7-41.5174.6-174.569.1000112P407 L414 L415P407-L411 PolarHBondContact O-N 3.47Å; L411-L414 PolarHBondContact O-N 3.02Å; L411-L415 HydrophobicContact CD1-CD1 4.44Å; L411-L415 HydrophobicContact CG-CD1 3.99Å; L411-L415 HydrophobicContact CG-CG 4.45Å; L411-L415 WeakPolarHBondContact O-CB 3.41Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.2Å; L411-L415 PolarHBondContact O-N 3.14Å
412R82Confident68.1Low176 Ų176116.2 Ų116.266%0.66459%0.585SS**Hα-helixtrans-65.7-45.5178.3-162.4169.7-170165.83.2111.6R408 H409 A410 L414 L415 D416R408-R412 VanDerWaalsContact O-CB 3.26Å; R408-R412 WeakPolarHBondContact O-CB 3.38Å; R408-R412 PolarHBondContact O-N 2.88Å; H409-R412 PolarHBondContact O-N 3.49Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 2.97Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-L414 PolarHBondContact O-N 3.18Å; R412-L415 PolarHBondContact O-N 3.42Å; R412-D416 WeakPolarHBondContact CG-OD2 3.24Å; R412-D416 WeakPolarHBondContact O-CB 3.43Å; R412-D416 VanDerWaalsContact O-CG 3.26Å; R412-D416 PolarHBondContact O-N 3.08Å
413K84.3Confident69.9Low133 Ų133115.9 Ų115.958%0.57857%0.574SS**Hα-helixtrans-57.5-41.9171.7-88.3167.7167.3155.80112H409 A410 R417H409-K413 WeakPolarHBondContact CE1-CE 3.44Å; H409-K413 PolarHBondContact NE2-NZ 2.93Å; H409-K413 WeakPolarHBondContact O-CB 3.28Å; H409-K413 PolarHBondContact O-N 3.28Å; A410-K413 PolarHBondContact O-N 3.04Å; K413-R417 WeakPolarHBondContact O-CB 3.43Å; K413-R417 PolarHBondContact O-N 3.31Å
414L82.6Confident71.6Confident99 Ų99112.7 Ų112.752%0.51856%0.556SS.*Hα-helixtrans-64.7-48.4176-178.566.8000111.9A410 L411 R412 D416 R417 I418A410-L414 WeakPolarHBondContact O-CB 3.23Å; A410-L414 PolarHBondContact O-N 3.5Å; L411-L414 PolarHBondContact O-N 3.02Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-L414 PolarHBondContact O-N 3.18Å; L414-D416 PolarHBondContact O-N 3.1Å; L414-R417 WeakPolarHBondContact O-CB 3.49Å; L414-R417 PolarHBondContact O-N 2.9Å; L414-I418 HydrophobicContact CD1-CD1 4.24Å; L414-I418 HydrophobicContact CG-CD1 3.95Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 2.97Å
415L87.3Confident72.9Confident77 Ų77117.3 Ų117.340%0.40356%0.56SS.*Hα-helixtrans-64.8-38.4179.1-71.1171.4000112.2L411 R412 I418 R419L411-L415 HydrophobicContact CD1-CD1 4.44Å; L411-L415 HydrophobicContact CG-CD1 3.99Å; L411-L415 HydrophobicContact CG-CG 4.45Å; L411-L415 WeakPolarHBondContact O-CB 3.41Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.2Å; L411-L415 PolarHBondContact O-N 3.14Å; R412-L415 PolarHBondContact O-N 3.42Å; L415-I418 PolarHBondContact O-N 2.94Å; L415-R419 WeakPolarHBondContact O-CB 3.47Å; L415-R419 WeakPolarHBondContact O-CD 3.3Å; L415-R419 WeakPolarHBondContact O-CG 3.29Å; L415-R419 PolarHBondContact O-N 3.32Å
416D85.8Confident74.1Confident68 Ų68118.5 Ų118.536%0.36456%0.562SS.*Hα-helixtrans-74.1-29.9177-64.2-31.3000111.8R412 L414 R419 S420R412-D416 WeakPolarHBondContact CG-OD2 3.24Å; R412-D416 WeakPolarHBondContact O-CB 3.43Å; R412-D416 VanDerWaalsContact O-CG 3.26Å; R412-D416 PolarHBondContact O-N 3.08Å; L414-D416 PolarHBondContact O-N 3.1Å; D416-R419 PolarHBondContact O-N 2.94Å; D416-R419 IonicContact OD1-CZ 3.66Å; D416-R419 IonicContact OD1-NH1 2.67Å; D416-R419 PolarHBondContact OD1-NH1 3.43Å; D416-S420 PolarHBondContact O-N 3.2Å
417R86.6Confident74.1Confident172 Ų172116.8 Ų116.865%0.64955%0.553SS**Hα-helixtrans-68-40.5168.5-169.675.8166.2-151.1-1.5112.3K413 L414 R419 S420 Q421K413-R417 WeakPolarHBondContact O-CB 3.43Å; K413-R417 PolarHBondContact O-N 3.31Å; L414-R417 WeakPolarHBondContact O-CB 3.49Å; L414-R417 PolarHBondContact O-N 2.9Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-S420 PolarHBondContact O-N 3.45Å; R417-S420 PolarHBondContact O-OG 2.93Å; R417-S420 VanDerWaalsContact O-OG 3.12Å; R417-Q421 WeakPolarHBondContact O-CB 3.29Å; R417-Q421 WeakPolarHBondContact O-CG 3.15Å; R417-Q421 PolarHBondContact O-N 3.44Å
418I83.4Confident73.7Confident86 Ų86115.4 Ų115.444%0.44155%0.554SS.*Hα-helixtrans-65.7-38.7173.8-70.6164.4000110.3L414 L415 R422L414-I418 HydrophobicContact CD1-CD1 4.24Å; L414-I418 HydrophobicContact CG-CD1 3.95Å; L414-I418 VanDerWaalsContact O-CG1 3.28Å; L414-I418 WeakPolarHBondContact O-CG1 3.42Å; L414-I418 PolarHBondContact O-N 2.97Å; L415-I418 PolarHBondContact O-N 2.94Å; I418-R422 VanDerWaalsContact O-CB 3.3Å; I418-R422 WeakPolarHBondContact O-CB 3.49Å; I418-R422 PolarHBondContact O-N 3.27Å
419R82.6Confident72.9Confident158 Ų158112.1 Ų112.160%0.59656%0.558SS**Hα-helixtrans-65.3-45.2174-73.4160.2178.9-174-6.8111.9L415 D416 R417 R422 T423L415-R419 WeakPolarHBondContact O-CB 3.47Å; L415-R419 WeakPolarHBondContact O-CD 3.3Å; L415-R419 WeakPolarHBondContact O-CG 3.29Å; L415-R419 PolarHBondContact O-N 3.32Å; D416-R419 PolarHBondContact O-N 2.94Å; D416-R419 IonicContact OD1-CZ 3.66Å; D416-R419 IonicContact OD1-NH1 2.67Å; D416-R419 PolarHBondContact OD1-NH1 3.43Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R419-R422 PolarHBondContact O-N 3.5Å; R419-T423 PolarHBondContact O-N 3Å; R419-T423 PolarHBondContact O-OG1 2.94Å
420S78.1Confident71.7Confident44 Ų44111.7 Ų111.731%0.30857%0.569SS.*Hα-helixtrans-62.5-51.617783.30000110.5D416 R417 R422 T423 D424D416-S420 PolarHBondContact O-N 3.2Å; R417-S420 PolarHBondContact O-N 3.45Å; R417-S420 PolarHBondContact O-OG 2.93Å; R417-S420 VanDerWaalsContact O-OG 3.12Å; S420-R422 PolarHBondContact O-N 3.12Å; S420-R422 VanDerWaalsContact O-N 3.12Å; S420-T423 WeakPolarHBondContact CA-OG1 3.46Å; S420-T423 CarbonylContact O-C 3.5Å; S420-T423 PolarHBondContact O-N 3.32Å; S420-T423 PolarHBondContact O-OG1 2.87Å; S420-D424 VanDerWaalsContact C-OD2 3.27Å; S420-D424 WeakPolarHBondContact O-CB 3.39Å; S420-D424 PolarHBondContact O-N 3.47Å; S420-D424 VanDerWaalsContact O-OD2 3.05Å
421Q74.2Confident69.9Low105 Ų105119.5 Ų119.549%0.49158%0.583SS.*Hα-helixtrans-55.1-36.4176.1-75.2-179.9-47.800112.6R417 D424 W425R417-Q421 WeakPolarHBondContact O-CB 3.29Å; R417-Q421 WeakPolarHBondContact O-CG 3.15Å; R417-Q421 PolarHBondContact O-N 3.44Å; Q421-D424 PolarHBondContact O-N 3.33Å; Q421-W425 WeakPolarHBondContact O-CB 3.32Å; Q421-W425 VanDerWaalsContact O-CD1 3.25Å; Q421-W425 PolarHBondContact O-N 3.34Å
422R73.6Confident68.2Low185 Ų185121.2 Ų121.270%0.69860%0.598SS**Hα-helixtrans-68.6-40.8174.4-175.5173.4178.4166.31.1112.8I418 R419 S420 D424 I426I418-R422 VanDerWaalsContact O-CB 3.3Å; I418-R422 WeakPolarHBondContact O-CB 3.49Å; I418-R422 PolarHBondContact O-N 3.27Å; R419-R422 PolarHBondContact O-N 3.5Å; S420-R422 PolarHBondContact O-N 3.12Å; S420-R422 VanDerWaalsContact O-N 3.12Å; R422-D424 VanDerWaalsContact C-N 3.35Å; R422-I426 HydrophobicContact CG-CD1 3.95Å; R422-I426 WeakPolarHBondContact O-CB 3.31Å; R422-I426 WeakPolarHBondContact O-CD1 3.33Å; R422-I426 WeakPolarHBondContact O-CG1 3.33Å; R422-I426 PolarHBondContact O-N 2.94Å; R422-I426 VanDerWaalsContact O-N 3.08Å
423T71.9Confident66.1Low83 Ų83117.9 Ų117.951%0.50960%0.599SS.*Hα-helixtrans-70.4-32173.747.10000112.5R419 S420 I426 S427R419-T423 PolarHBondContact O-N 3Å; R419-T423 PolarHBondContact O-OG1 2.94Å; S420-T423 WeakPolarHBondContact CA-OG1 3.46Å; S420-T423 CarbonylContact O-C 3.5Å; S420-T423 PolarHBondContact O-N 3.32Å; S420-T423 PolarHBondContact O-OG1 2.87Å; T423-I426 PolarHBondContact O-N 3.26Å; T423-S427 WeakPolarHBondContact O-CB 3.34Å; T423-S427 PolarHBondContact O-N 2.96Å; T423-S427 PolarHBondContact O-OG 3.01Å
424D70.1Confident64.1Low91 Ų91117 Ų11749%0.48761%0.607SS.*Hα-helixtrans-68.4-42.5177.2-56.4-24.3000110.1S420 Q421 R422 S427 G428S420-D424 VanDerWaalsContact C-OD2 3.27Å; S420-D424 WeakPolarHBondContact O-CB 3.39Å; S420-D424 PolarHBondContact O-N 3.47Å; S420-D424 VanDerWaalsContact O-OD2 3.05Å; Q421-D424 PolarHBondContact O-N 3.33Å; R422-D424 VanDerWaalsContact C-N 3.35Å; D424-S427 PolarHBondContact O-N 2.99Å; D424-S427 PolarHBondContact O-OG 2.91Å; D424-G428 PolarHBondContact O-N 3.5Å
425W59.6Low61.7Low224 Ų224117.5 Ų117.585%0.84862%0.619SS**Hα-helixtrans-62.4-43.5170.7-91.164.5000112.9Q421Q421-W425 WeakPolarHBondContact O-CB 3.32Å; Q421-W425 VanDerWaalsContact O-CD1 3.25Å; Q421-W425 PolarHBondContact O-N 3.34Å
426I64.9Low59.1Low117 Ų117119.8 Ų119.860%0.664%0.635SS**Hα-helixtrans-67.7-35.3-179.9-70.4165.8000111.7R422 T423R422-I426 HydrophobicContact CG-CD1 3.95Å; R422-I426 WeakPolarHBondContact O-CB 3.31Å; R422-I426 WeakPolarHBondContact O-CD1 3.33Å; R422-I426 WeakPolarHBondContact O-CG1 3.33Å; R422-I426 PolarHBondContact O-N 2.94Å; R422-I426 VanDerWaalsContact O-N 3.08Å; T423-I426 PolarHBondContact O-N 3.26Å
427S56.4Low56.5Low82 Ų82123.4 Ų123.457%0.57366%0.655SS**Hα-helixtrans-83.7-25.8177.856.30000113.9T423 D424 S429T423-S427 WeakPolarHBondContact O-CB 3.34Å; T423-S427 PolarHBondContact O-N 2.96Å; T423-S427 PolarHBondContact O-OG 3.01Å; D424-S427 PolarHBondContact O-N 2.99Å; D424-S427 PolarHBondContact O-OG 2.91Å; S427-S429 PolarHBondContact O-N 3.3Å
428G48Very low54Low57 Ų57120 Ų12059%0.58866%0.657SS**Hα-helixtrans-63.6-20.817500000114.3D424 S430D424-G428 PolarHBondContact O-N 3.5Å; G428-S430 PolarHBondContact O-N 3.37Å
429S45.1Very low51.9Low109 Ų109124.1 Ų124.176%0.76268%0.675SS**THydrogen-bonded Turntrans-69.97.8179.4-165.50000115.2S427S427-S429 PolarHBondContact O-N 3.3Å
430S41.5Very low49.9Very low108 Ų108124.8 Ų124.876%0.75569%0.689SS**  trans-131.163.1-176.5-163.50000112.6G428G428-S430 PolarHBondContact O-N 3.37Å
431R34Very low48.1Very low232 Ų232129.5 Ų129.588%0.87571%0.71SS**  trans-155.1108.3161.9-162.9168.4-67.1-150.20.4112.5
432V39.3Very low46.8Very low139 Ų139130.5 Ų130.584%0.84273%0.725SS**  trans-99.4129.1168.8172.30000107
433P38.4Very low45Very low107 Ų107129.5 Ų129.570%0.69573%0.728SS**  -154.9-170.292.241.3-21.3000114.4
434P42Very low43.3Very low113 Ų113136.8 Ų136.873%0.73475%0.747SS**  -123.9171.6-53.936.7-22.9000112.9
435S33Very low41.7Very low111 Ų111139.7 Ų139.778%0.77676%0.762SS**  trans-4.4135.7163.8-42.30000121.1
436V32.2Very low40.4Very low124 Ų124136.4 Ų136.475%0.75276%0.758SS**  173.6126.3107154.80000111.6
437D31.3Very low38.8Very low145 Ų145136.2 Ų136.278%0.77577%0.767SS**  trans63145.3154.8-57-6.4000126.3
438S34.9Very low38Very low100 Ų100138.8 Ų138.870%0.69977%0.773SS**  trans75.499.3155.8-65.20000122.8
439E38.7Very low37.2Very low172 Ų172145.1 Ų145.180%0.80479%0.787SS**  54.3104.8121.5-64.9169.2-150.200120.7
440L40Very low36.7Very low173 Ų173146.5 Ų146.591%0.90679%0.791SS**  175126.9111.2-92.3161.8000112.4
441I41.9Very low36.3Very low143 Ų143144.7 Ų144.773%0.73379%0.789SS**  trans-99.2139.1176.9-71.6171.8000106.3
442P46.5Very low36.1Very low125 Ų125139.3 Ų139.381%0.81279%0.787SS**  -146.8154.868.238.7-18.1000120.2
443E35.6Very low35.8Very low165 Ų165140.5 Ų140.577%0.77179%0.788SS**  trans-59.2163.8170.5-60.1147.4159.100113.4
444R35.7Very low35.5Very low236 Ų236141.6 Ų141.689%0.89179%0.793SS**  trans-15070.6169.7-135.3-171.6-168.5120.20.8111.9M446R444-M446 PolarHBondContact O-N 3.5Å
445D36Very low35.4Very low152 Ų152142.1 Ų142.181%0.81380%0.797SS**  trans-66.7128.4172.2-86.1-28.4000111.6S447D445-S447 PolarHBondContact O-N 3.18Å
446M32.8Very low35.2Very low154 Ų154146.4 Ų146.476%0.75980%0.804SS**  trans-98.272.2173-76.9-67.8-56.600109.3R444 I448R444-M446 PolarHBondContact O-N 3.5Å; M446-I448 HydrophobicContact CE-CD1 4.37Å; M446-I448 HydrophobicContact CE-CG1 4.43Å; M446-I448 PolarHBondContact O-N 3.29Å
447S31.4Very low35.2Very low113 Ų113144.8 Ų144.879%0.7980%0.804SS**  trans-69109.2167490000109.5D445D445-S447 PolarHBondContact O-N 3.18Å
448I39.1Very low35.4Very low136 Ų136146.7 Ų146.770%0.69781%0.813SS**  trans-101.1125.5170.1-64.4-178.7000108.1M446 T450M446-I448 HydrophobicContact CE-CD1 4.37Å; M446-I448 HydrophobicContact CE-CG1 4.43Å; M446-I448 PolarHBondContact O-N 3.29Å; I448-T450 PolarHBondContact O-N 3.47Å
449E31.5Very low35.1Very low191 Ų191145.6 Ų145.689%0.89382%0.817SS**  trans-67121.3-177.9-59.1167119.500110.9
450T35.1Very low34.8Very low138 Ų138146.2 Ų146.285%0.84782%0.82SS**  trans-102.398.5165.3-55.90000108.3I448 S452I448-T450 PolarHBondContact O-N 3.47Å; T450-S452 PolarHBondContact O-N 2.84Å
451G32Very low34.8Very low69 Ų69143.5 Ų143.571%0.71181%0.813SS**  trans-66.7113179.600000112.1L453G451-L453 PolarHBondContact O-N 2.93Å
452S29.8Very low34.1Very low119 Ų119140.6 Ų140.683%0.83281%0.81SS**  trans-72.1119.8168.2-1740000109.6T450T450-S452 PolarHBondContact O-N 2.84Å
453L34.7Very low33.3Very low164 Ų164140.8 Ų140.886%0.85981%0.809SS**  trans-109.1135.5170.5-71.7178.4000110.2G451G451-L453 PolarHBondContact O-N 2.93Å
454T30.3Very low33Very low131 Ų131144.6 Ų144.680%0.80482%0.816SS**  trans-71149.2177.445.30000111.9
455P40.8Very low32.8Very low124 Ų124138 Ų13881%0.80581%0.812SS**  trans-80.3140.5177.333-34.2000112.2
456E29.8Very low32.4Very low200 Ų200135.5 Ų135.594%0.93581%0.813SS**  trans-126.2159.8155.1-93.3-163.7128.100109.8
457A30.8Very low32.5Very low91 Ų91135 Ų13575%0.75282%0.818SS**  trans-96.8158-159.200000114.6
458L36.7Very low32.5Very low185 Ų185138 Ų13897%0.96982%0.819SS**  174.5139.4117.6-91.1162.7000110.5
459G27.3Very low32.7Very low76 Ų76136.3 Ų136.378%0.78482%0.818SS**  trans159.972.9177.500000116.1
460E33Very low32.5Very low185 Ų185134.1 Ų134.186%0.86482%0.818SS**  trans-65.4154.2162-104.6-176.5-15400111
461P40.7Very low32.4Very low116 Ų116135.9 Ų135.975%0.75382%0.816SS**  -151.7140.760.539-17.6000119.9
462A26.6Very low34Very low82 Ų82137.4 Ų137.468%0.67881%0.813SS**  63.7160.8128.200000124.2
463V29.2Very low34.7Very low130 Ų130137.2 Ų137.279%0.78881%0.809SS**  trans75.496.3161.7-149.80000118.4
464R30.6Very low35.1Very low244 Ų244135.4 Ų135.492%0.92181%0.807SS**  -164.5157103.9-99.7168-163-157.50.9112.6
465A31.2Very low35.6Very low98 Ų98134 Ų13481%0.8181%0.81SS**  trans-72145.3-166.200000114.1
466A28Very low35.1Very low99 Ų99132.8 Ų132.882%0.81881%0.809SS**  trans-86.9152.1163.600000110.9
467V33.2Very low36Very low143 Ų143131.3 Ų131.387%0.86780%0.802SS**  trans-135.9135.9168175.50000107.7
468E32.8Very low36.8Very low176 Ų176132.8 Ų132.882%0.82280%0.804SS**  trans-145.8167.8178.8-115.4-168.6-135.300108.4
469P43.2Very low37.5Very low102 Ų102129.1 Ų129.166%0.66280%0.795SS**  cis-130.4168.4-15.237.2-22.5000113.1
470T26.6Very low38.8Very low145 Ų145133 Ų13389%0.8980%0.797SS**  trans-155.4138.3157.3-39.40000111.9
471E33.4Very low39.9Very low175 Ų175127.4 Ų127.482%0.81878%0.776SS**  trans-151.4172.7179.8-113.5-155.7173.600108.8
472P65Low40.6Very low100 Ų100125.7 Ų125.765%0.64977%0.771SS**  -120.6-173.2-5338.6-22.1000109.4
473P44.4Very low42Very low115 Ų115129 Ų12975%0.74777%0.773SS**  -159.7-163.885.341.6-19.7000114.2
474P42.9Very low43.4Very low126 Ų126128.4 Ų128.482%0.81876%0.76SS**  -117.4-177.7-52.533.9-17.6000112.3
475A41.1Very low44.8Very low103 Ų103122.2 Ų122.285%0.85175%0.745SS**  trans-73156.6-171.700000117
476A31.2Very low46.7Very low97 Ų97119.9 Ų119.980%0.80272%0.722SS**  trans-142.5135.1152.400000108.8
477E47.4Very low48.9Very low169 Ų169123.1 Ų123.179%0.7971%0.714SS**  trans-81.3126.4179.7-64.5175.6152.900110.4R110R110-E477 IonicContact NH1-OE1 3.26Å
478P48.2Very low50.9Low122 Ų122120.1 Ų120.179%0.79269%0.692SS**  trans-86114.1174.732-30.8000111
479S51.8Low53Low109 Ų109117.6 Ų117.676%0.76268%0.68SS**PPolyproline II helixtrans-63.4143.616545.20000110.8P481S479-P481 VanDerWaalsContact O-CD 3.29Å; S479-P481 WeakPolarHBondContact O-CD 3.27Å
480L54.8Low54.7Low158 Ų158118.2 Ų118.283%0.82767%0.674SS**PPolyproline II helixtrans-62.8120-177.6-69.6174.5000111
481P56.5Low57.4Low67 Ų67113.3 Ų113.344%0.43565%0.648SS.*PPolyproline II helixtrans-68.2149.3-178.3-21.934.3000112.9S479 E483 F484S479-P481 VanDerWaalsContact O-CD 3.29Å; S479-P481 WeakPolarHBondContact O-CD 3.27Å; P481-E483 HydrophobicContact CB-CB 4.28Å; P481-E483 HydrophobicContact CB-CG 4.44Å; P481-E483 PolarHBondContact O-N 2.84Å; P481-E483 VanDerWaalsContact O-N 3.16Å; P481-F484 WeakPolarHBondContact O-CB 3.44Å; P481-F484 PolarHBondContact O-N 3.03Å
482A53.7Low59.8Low79 Ų79109.2 Ų109.265%0.65363%0.629SS**Hα-helixtrans-57.9-28.5172.600000112.9F484 L485 S486A482-F484 PolarHBondContact O-N 3.43Å; A482-L485 PolarHBondContact O-N 3.32Å; A482-S486 PolarHBondContact O-N 3.04Å
483E57.3Low60.8Low153 Ų153109.7 Ų109.772%0.71562%0.623SS**Hα-helixtrans-55.1-27.7171.8-56.5179.5168.900113.4P481 S486 R487P481-E483 HydrophobicContact CB-CB 4.28Å; P481-E483 HydrophobicContact CB-CG 4.44Å; P481-E483 PolarHBondContact O-N 2.84Å; P481-E483 VanDerWaalsContact O-N 3.16Å; E483-S486 PolarHBondContact O-OG 3.28Å; E483-S486 VanDerWaalsContact O-OG 3.11Å; E483-R487 WeakPolarHBondContact O-CB 3.33Å; E483-R487 PolarHBondContact O-N 3.37Å; E483-R487 VanDerWaalsContact O-N 3.13Å
484F57.5Low62.8Low116 Ų116109 Ų10951%0.50961%0.609SS.*Hα-helixtrans-74.1-32.8177.8-131-82.3000111.6P481 A482 I488P481-F484 WeakPolarHBondContact O-CB 3.44Å; P481-F484 PolarHBondContact O-N 3.03Å; A482-F484 PolarHBondContact O-N 3.43Å; F484-I488 HydrophobicContact CD1-CD1 4.29Å; F484-I488 WeakPolarHBondContact O-CD1 3.39Å; F484-I488 VanDerWaalsContact O-CG1 3.25Å; F484-I488 WeakPolarHBondContact O-CG1 3.34Å; F484-I488 PolarHBondContact O-N 2.9Å; F484-I488 VanDerWaalsContact O-N 3.12Å
485L60.9Low64.9Low115 Ų115110.6 Ų110.660%0.60260%0.599SS**Hα-helixtrans-75.7-41177.7-64.2175.7000111.8A482 R487 I488 Q489A482-L485 PolarHBondContact O-N 3.32Å; L485-R487 VanDerWaalsContact C-N 3.32Å; L485-R487 PolarHBondContact O-N 3.26Å; L485-I488 PolarHBondContact O-N 3.2Å; L485-Q489 WeakPolarHBondContact O-CG 3.36Å; L485-Q489 PolarHBondContact O-N 2.77Å
486S70.5Confident67.1Low49 Ų49111.1 Ų111.134%0.34358%0.582SS.*Hα-helixtrans-63.1-40.717361.40000111.3A482 E483 I488 Q489 E490A482-S486 PolarHBondContact O-N 3.04Å; E483-S486 PolarHBondContact O-OG 3.28Å; E483-S486 VanDerWaalsContact O-OG 3.11Å; S486-I488 VanDerWaalsContact C-N 3.29Å; S486-I488 PolarHBondContact O-N 3.45Å; S486-Q489 WeakPolarHBondContact O-CB 3.35Å; S486-Q489 PolarHBondContact O-N 2.86Å; S486-Q489 VanDerWaalsContact O-N 3.11Å; S486-E490 WeakPolarHBondContact O-CG 3.5Å; S486-E490 PolarHBondContact O-N 3.41Å
487R74Confident70.1Confident167 Ų167112.1 Ų112.163%0.6357%0.568SS**Hα-helixtrans-64.6-29.8176.1-166.7178.4-160.21625.2113.8E483 L485 A491E483-R487 WeakPolarHBondContact O-CB 3.33Å; E483-R487 PolarHBondContact O-N 3.37Å; E483-R487 VanDerWaalsContact O-N 3.13Å; L485-R487 VanDerWaalsContact C-N 3.32Å; L485-R487 PolarHBondContact O-N 3.26Å; R487-A491 WeakPolarHBondContact O-CB 3.47Å; R487-A491 PolarHBondContact O-N 2.87Å; R487-A491 VanDerWaalsContact O-N 3.15Å
488I76.6Confident72Confident80 Ų80109.9 Ų109.941%0.4155%0.553SS.*Hα-helixtrans-70.4-44.8170.8-72.3162.4000110.1F484 L485 S486 A491 E492F484-I488 HydrophobicContact CD1-CD1 4.29Å; F484-I488 WeakPolarHBondContact O-CD1 3.39Å; F484-I488 VanDerWaalsContact O-CG1 3.25Å; F484-I488 WeakPolarHBondContact O-CG1 3.34Å; F484-I488 PolarHBondContact O-N 2.9Å; F484-I488 VanDerWaalsContact O-N 3.12Å; L485-I488 PolarHBondContact O-N 3.2Å; S486-I488 VanDerWaalsContact C-N 3.29Å; S486-I488 PolarHBondContact O-N 3.45Å; I488-A491 PolarHBondContact O-N 3.26Å; I488-E492 PolarHBondContact O-N 2.98Å
489Q75.6Confident74Confident123 Ų123109.2 Ų109.258%0.57554%0.539SS*.Hα-helixtrans-61.9-44.2177-69.2170.2-6.900112.2L485 S486 A491 E492 E493L485-Q489 WeakPolarHBondContact O-CG 3.36Å; L485-Q489 PolarHBondContact O-N 2.77Å; S486-Q489 WeakPolarHBondContact O-CB 3.35Å; S486-Q489 PolarHBondContact O-N 2.86Å; S486-Q489 VanDerWaalsContact O-N 3.11Å; Q489-A491 VanDerWaalsContact C-N 3.34Å; Q489-A491 PolarHBondContact O-N 3.14Å; Q489-E492 PolarHBondContact O-N 3.27Å; Q489-E493 PolarHBondContact O-N 3.01Å
490E79.3Confident76Confident115 Ų115106.2 Ų106.254%0.53752%0.52SS..Hα-helixtrans-57.5-44.4172.3-73.1167.7-157.200111.8S486 E492 E493 E494S486-E490 WeakPolarHBondContact O-CG 3.5Å; S486-E490 PolarHBondContact O-N 3.41Å; E490-E492 VanDerWaalsContact C-N 3.34Å; E490-E492 PolarHBondContact O-N 2.85Å; E490-E493 PolarHBondContact O-N 3.41Å; E490-E494 PolarHBondContact O-N 3.46Å
491A83.1Confident77.9Confident42 Ų42104.2 Ų104.235%0.34751%0.507SS..Hα-helixtrans-68.5-30.717800000113R487 I488 Q489 R495R487-A491 WeakPolarHBondContact O-CB 3.47Å; R487-A491 PolarHBondContact O-N 2.87Å; R487-A491 VanDerWaalsContact O-N 3.15Å; I488-A491 PolarHBondContact O-N 3.26Å; Q489-A491 VanDerWaalsContact C-N 3.34Å; Q489-A491 PolarHBondContact O-N 3.14Å; A491-R495 VanDerWaalsContact O-CG 3.25Å; A491-R495 WeakPolarHBondContact O-CG 3.33Å; A491-R495 PolarHBondContact O-N 3.19Å; A491-R495 VanDerWaalsContact O-N 3.14Å
492E84.7Confident79.6Confident89 Ų89106 Ų10642%0.41651%0.512SS..Hα-helixtrans-71.5-38170.2-75.2-173.9-157.500112.6I488 Q489 E490 R495 K496I488-E492 PolarHBondContact O-N 2.98Å; Q489-E492 PolarHBondContact O-N 3.27Å; E490-E492 VanDerWaalsContact C-N 3.34Å; E490-E492 PolarHBondContact O-N 2.85Å; E492-R495 PolarHBondContact O-N 2.95Å; E492-K496 WeakPolarHBondContact O-CD 3.3Å; E492-K496 VanDerWaalsContact O-CG 3.26Å; E492-K496 WeakPolarHBondContact O-CG 3.2Å; E492-K496 PolarHBondContact O-N 3.48Å; E492-K496 IonicContact OE2-NZ 2.65Å; E492-K496 PolarHBondContact OE2-NZ 2.92Å
493E85.1Confident81.6Confident110 Ų110107.9 Ų107.951%0.51451%0.508SS..Hα-helixtrans-68.5-38.3174.5-75.3-168.7-166.500112.3Q489 E490 R495 K496 K497Q489-E493 PolarHBondContact O-N 3.01Å; E490-E493 PolarHBondContact O-N 3.41Å; E493-R495 VanDerWaalsContact C-N 3.29Å; E493-R495 PolarHBondContact O-N 3.37Å; E493-K496 PolarHBondContact O-N 2.98Å; E493-K497 WeakPolarHBondContact O-CD 3.24Å; E493-K497 VanDerWaalsContact O-CG 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.46Å; E493-K497 PolarHBondContact O-N 3.37Å; E493-K497 IonicContact OE2-NZ 3.81Å
494E87.1Confident83.4Confident99 Ų99106.3 Ų106.346%0.46350%0.5SS..Hα-helixtrans-60.9-38169.8-79.8-161.8177.400112.1E490 R498E490-E494 PolarHBondContact O-N 3.46Å; E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 2.86Å; E494-R498 VanDerWaalsContact O-N 3.12Å; E494-R498 IonicContact OE2-CZ 3.15Å; E494-R498 VanDerWaalsContact OE2-CZ 3.24Å; E494-R498 IonicContact OE2-NH1 3.71Å; E494-R498 PolarHBondContact OE2-NH1 2.95Å; E494-R498 IonicContact OE2-NH2 2.69Å; E494-R498 PolarHBondContact OE2-NH2 3.36Å
495R85.6Confident85.1Confident161 Ų161105.6 Ų105.661%0.60850%0.499SS*.Hα-helixtrans-65.5-50.2175.3-76.5168.3-179.5-134.61.3111.3A491 E492 E493 K497 R498 E499A491-R495 VanDerWaalsContact O-CG 3.25Å; A491-R495 WeakPolarHBondContact O-CG 3.33Å; A491-R495 PolarHBondContact O-N 3.19Å; A491-R495 VanDerWaalsContact O-N 3.14Å; E492-R495 PolarHBondContact O-N 2.95Å; E493-R495 VanDerWaalsContact C-N 3.29Å; E493-R495 PolarHBondContact O-N 3.37Å; R495-K497 PolarHBondContact O-N 3.49Å; R495-R498 PolarHBondContact O-N 3.15Å; R495-R498 VanDerWaalsContact O-N 3.08Å; R495-E499 WeakPolarHBondContact O-CB 3.42Å; R495-E499 VanDerWaalsContact O-CG 3.3Å; R495-E499 WeakPolarHBondContact O-CG 3.19Å; R495-E499 PolarHBondContact O-N 2.85Å
496K88.9Confident86.8Confident113 Ų113106.1 Ų106.149%0.49150%0.496SS..Hα-helixtrans-57.9-35.5177.9-69.6157.5-168158.30112.4E492 E493 A500E492-K496 WeakPolarHBondContact O-CD 3.3Å; E492-K496 VanDerWaalsContact O-CG 3.26Å; E492-K496 WeakPolarHBondContact O-CG 3.2Å; E492-K496 PolarHBondContact O-N 3.48Å; E492-K496 IonicContact OE2-NZ 2.65Å; E492-K496 PolarHBondContact OE2-NZ 2.92Å; E493-K496 PolarHBondContact O-N 2.98Å; K496-A500 WeakPolarHBondContact O-CB 3.46Å; K496-A500 PolarHBondContact O-N 3.31Å
497K92.6Very high87.9Confident118 Ų118109.7 Ų109.751%0.51351%0.507SS..Hα-helixtrans-66.9-48173.3-72.9162.8-172.2158.20112.1E493 R495 E499 A500 E501E493-K497 WeakPolarHBondContact O-CD 3.24Å; E493-K497 VanDerWaalsContact O-CG 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.46Å; E493-K497 PolarHBondContact O-N 3.37Å; E493-K497 IonicContact OE2-NZ 3.81Å; R495-K497 PolarHBondContact O-N 3.49Å; K497-E499 VanDerWaalsContact C-N 3.31Å; K497-E499 PolarHBondContact O-N 3.41Å; K497-A500 PolarHBondContact O-N 3.1Å; K497-E501 WeakPolarHBondContact O-CG 3.47Å; K497-E501 PolarHBondContact O-N 2.9Å
498R88.4Confident88.9Confident122 Ų122107.4 Ų107.446%0.4650%0.504SS..Hα-helixtrans-63.9-35.1175.7-69.3170.5-173.5126.612.2112.7E494 R495 L502E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 2.86Å; E494-R498 VanDerWaalsContact O-N 3.12Å; E494-R498 IonicContact OE2-CZ 3.15Å; E494-R498 VanDerWaalsContact OE2-CZ 3.24Å; E494-R498 IonicContact OE2-NH1 3.71Å; E494-R498 PolarHBondContact OE2-NH1 2.95Å; E494-R498 IonicContact OE2-NH2 2.69Å; E494-R498 PolarHBondContact OE2-NH2 3.36Å; R495-R498 PolarHBondContact O-N 3.15Å; R495-R498 VanDerWaalsContact O-N 3.08Å; R498-L502 WeakPolarHBondContact O-CB 3.48Å; R498-L502 WeakPolarHBondContact O-CD1 3.2Å; R498-L502 WeakPolarHBondContact O-CG 3.49Å; R498-L502 PolarHBondContact O-N 3.38Å
499E90.8Very high89.7Confident109 Ų109109.3 Ų109.351%0.50951%0.511SS..Hα-helixtrans-65.2-43.3174.4-73.6159.5-172.200110.7R495 K497 L502 E503R495-E499 WeakPolarHBondContact O-CB 3.42Å; R495-E499 VanDerWaalsContact O-CG 3.3Å; R495-E499 WeakPolarHBondContact O-CG 3.19Å; R495-E499 PolarHBondContact O-N 2.85Å; K497-E499 VanDerWaalsContact C-N 3.31Å; K497-E499 PolarHBondContact O-N 3.41Å; E499-L502 PolarHBondContact O-N 2.88Å; E499-E503 WeakPolarHBondContact O-CG 3.15Å; E499-E503 PolarHBondContact O-N 2.84Å
500A93.2Very high90.6Very high45 Ų45107.7 Ų107.737%0.37251%0.506SS..Hα-helixtrans-65.7-43.4173.500000113.1K496 K497 L502 E503 E504K496-A500 WeakPolarHBondContact O-CB 3.46Å; K496-A500 PolarHBondContact O-N 3.31Å; K497-A500 PolarHBondContact O-N 3.1Å; A500-L502 VanDerWaalsContact C-N 3.31Å; A500-L502 PolarHBondContact O-N 2.96Å; A500-E503 PolarHBondContact O-N 3.39Å; A500-E503 VanDerWaalsContact O-N 3.08Å; A500-E504 PolarHBondContact O-N 2.9Å
501E94.7Very high91.5Very high116 Ų116104.2 Ų104.254%0.54250%0.496SS..Hα-helixtrans-57.3-43.5174.1-72.2165.3174.500111.1K497 E504 E505K497-E501 WeakPolarHBondContact O-CG 3.47Å; K497-E501 PolarHBondContact O-N 2.9Å; E501-E504 PolarHBondContact O-N 2.99Å; E501-E505 PolarHBondContact O-N 3.5Å
502L92.3Very high92.1Very high105 Ų105106.9 Ų106.955%0.5550%0.504SS..Hα-helixtrans-68.9-29.7174.8-71.8167.8000113.3R498 E499 A500 K506R498-L502 WeakPolarHBondContact O-CB 3.48Å; R498-L502 WeakPolarHBondContact O-CD1 3.2Å; R498-L502 WeakPolarHBondContact O-CG 3.49Å; R498-L502 PolarHBondContact O-N 3.38Å; E499-L502 PolarHBondContact O-N 2.88Å; A500-L502 VanDerWaalsContact C-N 3.31Å; A500-L502 PolarHBondContact O-N 2.96Å; L502-K506 WeakPolarHBondContact O-CB 3.36Å; L502-K506 PolarHBondContact O-N 2.91Å
503E94.7Very high92.6Very high119 Ų119107.1 Ų107.156%0.55651%0.508SS*.Hα-helixtrans-72.1-33.4171.8-77-171.5166.100112.6E499 A500 Q507E499-E503 WeakPolarHBondContact O-CG 3.15Å; E499-E503 PolarHBondContact O-N 2.84Å; A500-E503 PolarHBondContact O-N 3.39Å; A500-E503 VanDerWaalsContact O-N 3.08Å; E503-Q507 VanDerWaalsContact O-CG 3.28Å; E503-Q507 WeakPolarHBondContact O-CG 3.33Å; E503-Q507 PolarHBondContact O-N 3.43Å; E503-Q507 PolarHBondContact O-NE2 2.93Å
504E95.9Very high93.1Very high119 Ų119107.8 Ų107.856%0.55651%0.511SS*.Hα-helixtrans-69.2-47171.3-71.5-176.5-170.500111.4A500 E501 K506 Q507 Q508A500-E504 PolarHBondContact O-N 2.9Å; E501-E504 PolarHBondContact O-N 2.99Å; E504-K506 VanDerWaalsContact C-N 3.29Å; E504-K506 PolarHBondContact O-N 3Å; E504-Q507 PolarHBondContact O-N 3.23Å; E504-Q507 VanDerWaalsContact O-N 3.14Å; E504-Q508 WeakPolarHBondContact O-CG 3.38Å; E504-Q508 PolarHBondContact O-N 3.45Å
505E93.6Very high93.6Very high102 Ų102108 Ų10848%0.47751%0.512SS..Hα-helixtrans-58.1-40.9173.4-74.7-173.3174.100111.8E501 Q508 Q509E501-E505 PolarHBondContact O-N 3.5Å; E505-Q508 PolarHBondContact O-N 3.47Å; E505-Q509 WeakPolarHBondContact O-CG 3.36Å; E505-Q509 PolarHBondContact O-N 3.25Å
506K96.2Very high94.1Very high125 Ų125105.1 Ų105.154%0.54351%0.508SS..Hα-helixtrans-64.7-38.4175.5177.5-176.3171.3-168.20112.3L502 E504 Q509 L510L502-K506 WeakPolarHBondContact O-CB 3.36Å; L502-K506 PolarHBondContact O-N 2.91Å; E504-K506 VanDerWaalsContact C-N 3.29Å; E504-K506 PolarHBondContact O-N 3Å; K506-Q509 PolarHBondContact O-N 2.93Å; K506-L510 HydrophobicContact CG-CD1 4.35Å; K506-L510 VanDerWaalsContact O-CG 3.32Å; K506-L510 WeakPolarHBondContact O-CG 3.45Å; K506-L510 PolarHBondContact O-N 3.2Å
507Q93.4Very high94.4Very high125 Ų125106.2 Ų106.258%0.58452%0.515SS*.Hα-helixtrans-65.5-41.2174.4-77.3167.97200111.5E503 E504 L510 A511E503-Q507 VanDerWaalsContact O-CG 3.28Å; E503-Q507 WeakPolarHBondContact O-CG 3.33Å; E503-Q507 PolarHBondContact O-N 3.43Å; E503-Q507 PolarHBondContact O-NE2 2.93Å; E504-Q507 PolarHBondContact O-N 3.23Å; E504-Q507 VanDerWaalsContact O-N 3.14Å; Q507-L510 PolarHBondContact O-N 2.85Å; Q507-A511 PolarHBondContact O-N 2.69Å
508Q95.6Very high94.6Very high119 Ų119107 Ų10756%0.55652%0.521SS*.Hα-helixtrans-62-43.3174-65.7167.332.900111.7E504 E505 L510 A511 L512E504-Q508 WeakPolarHBondContact O-CG 3.38Å; E504-Q508 PolarHBondContact O-N 3.45Å; E505-Q508 PolarHBondContact O-N 3.47Å; Q508-L510 VanDerWaalsContact C-N 3.33Å; Q508-L510 PolarHBondContact O-N 2.67Å; Q508-A511 PolarHBondContact O-N 2.87Å; Q508-L512 WeakPolarHBondContact O-CG 3.37Å; Q508-L512 PolarHBondContact O-N 3Å
509Q93.3Very high94.9Very high119 Ų119105.9 Ų105.956%0.55652%0.521SS*.Hα-helixtrans-63-37.2175-72.1172.931.200112.6E505 K506 L513E505-Q509 WeakPolarHBondContact O-CG 3.36Å; E505-Q509 PolarHBondContact O-N 3.25Å; K506-Q509 PolarHBondContact O-N 2.93Å; Q509-L513 VanDerWaalsContact O-CG 3.29Å; Q509-L513 WeakPolarHBondContact O-CG 3.49Å; Q509-L513 PolarHBondContact O-N 3.33Å
510L95Very high95.1Very high90 Ų90106.3 Ų106.347%0.47152%0.521SS..Hα-helixtrans-68.6-38.1175.9-73.5169000112.4K506 Q507 Q508 L513 Q514K506-L510 HydrophobicContact CG-CD1 4.35Å; K506-L510 VanDerWaalsContact O-CG 3.32Å; K506-L510 WeakPolarHBondContact O-CG 3.45Å; K506-L510 PolarHBondContact O-N 3.2Å; Q507-L510 PolarHBondContact O-N 2.85Å; Q508-L510 VanDerWaalsContact C-N 3.33Å; Q508-L510 PolarHBondContact O-N 2.67Å; L510-L513 PolarHBondContact O-N 2.98Å; L510-Q514 WeakPolarHBondContact O-CG 3.45Å; L510-Q514 PolarHBondContact O-N 3.1Å
511A97.1Very high95.2Very high41 Ų41106.1 Ų106.134%0.33952%0.52SS..Hα-helixtrans-63.4-47.2173.800000111.7Q507 Q508 L513 Q514 E515Q507-A511 PolarHBondContact O-N 2.69Å; Q508-A511 PolarHBondContact O-N 2.87Å; A511-L513 PolarHBondContact O-N 3.46Å; A511-Q514 WeakPolarHBondContact O-CB 3.4Å; A511-Q514 PolarHBondContact O-N 3.23Å; A511-E515 PolarHBondContact O-N 3.07Å
512L97.1Very high95.3Very high98 Ų98106.4 Ų106.451%0.51352%0.521SS..Hα-helixtrans-61.7-31.2175.8-69.2170.1000112.9Q508 L516Q508-L512 WeakPolarHBondContact O-CG 3.37Å; Q508-L512 PolarHBondContact O-N 3Å; L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.49Å; L512-L516 PolarHBondContact O-N 3.35Å
513L94.9Very high95.4Very high95 Ų95106.6 Ų106.650%0.49752%0.522SS..Hα-helixtrans-71-37.6172.8-75.5169.2000112.2Q509 L510 A511 L516 E517Q509-L513 VanDerWaalsContact O-CG 3.29Å; Q509-L513 WeakPolarHBondContact O-CG 3.49Å; Q509-L513 PolarHBondContact O-N 3.33Å; L510-L513 PolarHBondContact O-N 2.98Å; A511-L513 PolarHBondContact O-N 3.46Å; L513-L516 PolarHBondContact O-N 2.85Å; L513-E517 WeakPolarHBondContact O-CG 3.34Å; L513-E517 PolarHBondContact O-N 3.21Å
514Q95.9Very high95.5Very high124 Ų124105.2 Ų105.258%0.57952%0.515SS*.Hα-helixtrans-64-45.5174.3-72.4172.6-17.400111.5L510 A511 L516 E517 E518L510-Q514 WeakPolarHBondContact O-CG 3.45Å; L510-Q514 PolarHBondContact O-N 3.1Å; A511-Q514 WeakPolarHBondContact O-CB 3.4Å; A511-Q514 PolarHBondContact O-N 3.23Å; Q514-L516 VanDerWaalsContact C-N 3.26Å; Q514-L516 PolarHBondContact O-N 2.84Å; Q514-E517 PolarHBondContact O-N 2.92Å; Q514-E517 VanDerWaalsContact O-N 3.11Å; Q514-E518 WeakPolarHBondContact O-CG 3.33Å; Q514-E518 PolarHBondContact O-N 3.39Å
515E97.2Very high95.6Very high102 Ų102104.9 Ų104.948%0.47751%0.514SS..Hα-helixtrans-57.5-38.1174-68.8175.3-171.500112.3A511 Q519A511-E515 PolarHBondContact O-N 3.07Å; E515-Q519 WeakPolarHBondContact O-CB 3.18Å; E515-Q519 VanDerWaalsContact O-CG 3.25Å; E515-Q519 WeakPolarHBondContact O-CG 3.3Å; E515-Q519 PolarHBondContact O-N 3.29Å
516L95.5Very high95.6Very high102 Ų102105.3 Ų105.353%0.53452%0.517SS..Hα-helixtrans-74-32.2176.3-72.7170.7000113.3L512 L513 Q514 K520L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.49Å; L512-L516 PolarHBondContact O-N 3.35Å; L513-L516 PolarHBondContact O-N 2.85Å; Q514-L516 VanDerWaalsContact C-N 3.26Å; Q514-L516 PolarHBondContact O-N 2.84Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.28Å
517E95.1Very high95.6Very high136 Ų136104 Ų10464%0.63652%0.516SS*.Hα-helixtrans-68.9-39.2172.2-76.2-176.9172.100111.5L513 Q514 K520 A521L513-E517 WeakPolarHBondContact O-CG 3.34Å; L513-E517 PolarHBondContact O-N 3.21Å; Q514-E517 PolarHBondContact O-N 2.92Å; Q514-E517 VanDerWaalsContact O-N 3.11Å; E517-K520 PolarHBondContact O-N 2.81Å; E517-A521 WeakPolarHBondContact O-CB 3.22Å; E517-A521 PolarHBondContact O-N 3.45Å
518E97.5Very high95.7Very high134 Ų134102.1 Ų102.163%0.62651%0.507SS*.Hα-helixtrans-64.1-51.9173.5-71.4-179.4167.300111.4Q514 K520 A521 E522Q514-E518 WeakPolarHBondContact O-CG 3.33Å; Q514-E518 PolarHBondContact O-N 3.39Å; E518-K520 PolarHBondContact O-N 3.46Å; E518-A521 WeakPolarHBondContact O-CA 3.46Å; E518-A521 WeakPolarHBondContact O-CB 3.41Å; E518-A521 PolarHBondContact O-N 3.26Å; E518-E522 PolarHBondContact O-N 2.83Å
519Q94.4Very high95.7Very high98 Ų98101.3 Ų101.346%0.45850%0.503SS..Hα-helixtrans-57-37.8174.8-73.2170.929.600112.4E515 E522 L523E515-Q519 WeakPolarHBondContact O-CB 3.18Å; E515-Q519 VanDerWaalsContact O-CG 3.25Å; E515-Q519 WeakPolarHBondContact O-CG 3.3Å; E515-Q519 PolarHBondContact O-N 3.29Å; Q519-E522 PolarHBondContact O-N 3.23Å; Q519-L523 WeakPolarHBondContact O-CB 3.49Å; Q519-L523 VanDerWaalsContact O-CG 3.24Å; Q519-L523 WeakPolarHBondContact O-CG 3.3Å; Q519-L523 PolarHBondContact O-N 3.17Å
520K94.1Very high95.7Very high118 Ų11897.5 Ų97.551%0.51349%0.492SS..Hα-helixtrans-66-40.1174.7179178.3173.2-62.90111.7L516 E517 E518 L523 E524L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.28Å; E517-K520 PolarHBondContact O-N 2.81Å; E518-K520 PolarHBondContact O-N 3.46Å; K520-L523 PolarHBondContact O-N 2.85Å; K520-E524 WeakPolarHBondContact CE-OE1 3.48Å; K520-E524 IonicContact NZ-OE1 3.99Å; K520-E524 PolarHBondContact NZ-OE1 3.16Å; K520-E524 IonicContact NZ-OE2 2.72Å; K520-E524 WeakPolarHBondContact O-CB 3.3Å; K520-E524 WeakPolarHBondContact O-CG 3.44Å; K520-E524 PolarHBondContact O-N 3.15Å
521A95Very high95.5Very high42 Ų4298 Ų9835%0.34749%0.492SS..Hα-helixtrans-67.7-37.4176.500000112.6E517 E518 Q525E517-A521 WeakPolarHBondContact O-CB 3.22Å; E517-A521 PolarHBondContact O-N 3.45Å; E518-A521 WeakPolarHBondContact O-CA 3.46Å; E518-A521 WeakPolarHBondContact O-CB 3.41Å; E518-A521 PolarHBondContact O-N 3.26Å; A521-Q525 VanDerWaalsContact O-CG 3.31Å; A521-Q525 WeakPolarHBondContact O-CG 3.35Å; A521-Q525 PolarHBondContact O-N 2.94Å; A521-Q525 PolarHBondContact O-NE2 2.72Å
522E97.7Very high95.3Very high122 Ų122101.9 Ų101.957%0.5750%0.498SS*.Hα-helixtrans-63.6-47172-68.6-176.4154.500111.7E518 Q519 E524 Q525 M526E518-E522 PolarHBondContact O-N 2.83Å; Q519-E522 PolarHBondContact O-N 3.23Å; E522-E524 VanDerWaalsContact C-N 3.33Å; E522-E524 PolarHBondContact O-N 2.88Å; E522-Q525 WeakPolarHBondContact O-CB 3.24Å; E522-Q525 PolarHBondContact O-N 2.94Å; E522-M526 PolarHBondContact O-N 2.93Å
523L95.3Very high95.1Very high108 Ų108103 Ų10357%0.56550%0.5SS*.Hα-helixtrans-62.7-38.5176.8-72.9168.5000112.1Q519 K520 M526 L527Q519-L523 WeakPolarHBondContact O-CB 3.49Å; Q519-L523 VanDerWaalsContact O-CG 3.24Å; Q519-L523 WeakPolarHBondContact O-CG 3.3Å; Q519-L523 PolarHBondContact O-N 3.17Å; K520-L523 PolarHBondContact O-N 2.85Å; L523-M526 HydrophobicContact CD2-CE 3.88Å; L523-L527 WeakPolarHBondContact O-CB 3.37Å; L523-L527 PolarHBondContact O-N 3.34Å
524E96.8Very high95Very high90 Ų90106.6 Ų106.642%0.42151%0.507SS..Hα-helixtrans-68-34.1174.7-78.7177.1-162.300112.7K520 E522 Q528K520-E524 WeakPolarHBondContact CE-OE1 3.48Å; K520-E524 IonicContact NZ-OE1 3.99Å; K520-E524 PolarHBondContact NZ-OE1 3.16Å; K520-E524 IonicContact NZ-OE2 2.72Å; K520-E524 WeakPolarHBondContact O-CB 3.3Å; K520-E524 WeakPolarHBondContact O-CG 3.44Å; K520-E524 PolarHBondContact O-N 3.15Å; E522-E524 VanDerWaalsContact C-N 3.33Å; E522-E524 PolarHBondContact O-N 2.88Å; E524-Q528 WeakPolarHBondContact O-CG 3.48Å; E524-Q528 PolarHBondContact O-N 3.11Å; E524-Q528 VanDerWaalsContact O-N 3.08Å
525Q96.8Very high94.8Very high112 Ų112106.4 Ų106.452%0.52351%0.507SS..Hα-helixtrans-65.4-51.4172.2-75.6170.768.300111.4A521 E522 L527 Q528 E529A521-Q525 VanDerWaalsContact O-CG 3.31Å; A521-Q525 WeakPolarHBondContact O-CG 3.35Å; A521-Q525 PolarHBondContact O-N 2.94Å; A521-Q525 PolarHBondContact O-NE2 2.72Å; E522-Q525 WeakPolarHBondContact O-CB 3.24Å; E522-Q525 PolarHBondContact O-N 2.94Å; Q525-L527 PolarHBondContact O-N 3.06Å; Q525-Q528 WeakPolarHBondContact O-CB 3.38Å; Q525-Q528 PolarHBondContact O-N 2.91Å; Q525-Q528 VanDerWaalsContact O-N 3.08Å; Q525-E529 WeakPolarHBondContact O-CG 3.36Å; Q525-E529 PolarHBondContact O-N 3.49Å
526M94.9Very high94.6Very high111 Ų111108 Ų10855%0.54751%0.514SS..Hα-helixtrans-59.8-34.2176.6-72.3-163.5-68.500112.7E522 L523 E529 A530E522-M526 PolarHBondContact O-N 2.93Å; L523-M526 HydrophobicContact CD2-CE 3.88Å; M526-E529 PolarHBondContact O-N 3.2Å; M526-A530 WeakPolarHBondContact O-CB 3.5Å; M526-A530 PolarHBondContact O-N 2.83Å
527L96.1Very high94.4Very high98 Ų98109.1 Ų109.151%0.51352%0.52SS..Hα-helixtrans-65.9-44.2175.2-155175.7000110.9L523 Q525 E529 A530 Q531L523-L527 WeakPolarHBondContact O-CB 3.37Å; L523-L527 PolarHBondContact O-N 3.34Å; Q525-L527 PolarHBondContact O-N 3.06Å; L527-E529 VanDerWaalsContact C-N 3.34Å; L527-A530 PolarHBondContact O-N 3.23Å; L527-Q531 HydrophobicContact CD2-CG 4.01Å; L527-Q531 WeakPolarHBondContact O-CG 3.42Å; L527-Q531 PolarHBondContact O-N 3.04Å
528Q93.6Very high94.1Very high86 Ų86110.4 Ų110.440%0.40252%0.519SS..Hα-helixtrans-64.1-37.7174.6-71.217547.400112.3E524 Q525 Q531 R532E524-Q528 WeakPolarHBondContact O-CG 3.48Å; E524-Q528 PolarHBondContact O-N 3.11Å; E524-Q528 VanDerWaalsContact O-N 3.08Å; Q525-Q528 WeakPolarHBondContact O-CB 3.38Å; Q525-Q528 PolarHBondContact O-N 2.91Å; Q525-Q528 VanDerWaalsContact O-N 3.08Å; Q528-Q531 WeakPolarHBondContact O-CB 3.36Å; Q528-Q531 PolarHBondContact O-N 3.49Å; Q528-R532 VanDerWaalsContact O-CG 3.24Å; Q528-R532 WeakPolarHBondContact O-CG 3.28Å; Q528-R532 PolarHBondContact O-N 3.31Å
529E96.1Very high93.8Very high101 Ų101105.9 Ų105.947%0.47250%0.504SS..Hα-helixtrans-66.2-48.9176.3-70.6179.1159.700111.4Q525 M526 L527 Q531 R532 E533Q525-E529 WeakPolarHBondContact O-CG 3.36Å; Q525-E529 PolarHBondContact O-N 3.49Å; M526-E529 PolarHBondContact O-N 3.2Å; L527-E529 VanDerWaalsContact C-N 3.34Å; E529-Q531 PolarHBondContact O-N 2.85Å; E529-R532 WeakPolarHBondContact O-CB 3.41Å; E529-R532 PolarHBondContact O-N 3.35Å; E529-E533 WeakPolarHBondContact O-CG 3.35Å; E529-E533 PolarHBondContact O-N 2.96Å
530A94.7Very high93.5Very high40 Ų40103.3 Ų103.333%0.33150%0.5SS..Hα-helixtrans-61.6-25173.900000113.4M526 L527 R534M526-A530 WeakPolarHBondContact O-CB 3.5Å; M526-A530 PolarHBondContact O-N 2.83Å; L527-A530 PolarHBondContact O-N 3.23Å; A530-R534 WeakPolarHBondContact O-CB 3.22Å; A530-R534 VanDerWaalsContact O-CD 3.29Å; A530-R534 WeakPolarHBondContact O-CD 3.5Å; A530-R534 WeakPolarHBondContact O-CG 3.42Å; A530-R534 PolarHBondContact O-N 3.04Å
531Q89.2Confident93Very high100 Ų100100.2 Ų100.247%0.46750%0.496SS..Hα-helixtrans-71.7-49.5168.6-76.6175.3-4.600111.6L527 Q528 E529 E533 R534 E535L527-Q531 HydrophobicContact CD2-CG 4.01Å; L527-Q531 WeakPolarHBondContact O-CG 3.42Å; L527-Q531 PolarHBondContact O-N 3.04Å; Q528-Q531 WeakPolarHBondContact O-CB 3.36Å; Q528-Q531 PolarHBondContact O-N 3.49Å; E529-Q531 PolarHBondContact O-N 2.85Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 PolarHBondContact O-N 2.89Å; Q531-R534 WeakPolarHBondContact O-CB 3.39Å; Q531-R534 PolarHBondContact O-N 2.95Å; Q531-R534 VanDerWaalsContact O-N 3.14Å; Q531-E535 WeakPolarHBondContact O-CG 3.32Å; Q531-E535 PolarHBondContact O-N 3.26Å
532R92.8Very high92.3Very high123 Ų123104.4 Ų104.446%0.46451%0.508SS..Hα-helixtrans-58.3-43.4177.4-67.2162.6-164.61585.5111.5Q528 E529 E535 Q536Q528-R532 VanDerWaalsContact O-CG 3.24Å; Q528-R532 WeakPolarHBondContact O-CG 3.28Å; Q528-R532 PolarHBondContact O-N 3.31Å; E529-R532 WeakPolarHBondContact O-CB 3.41Å; E529-R532 PolarHBondContact O-N 3.35Å; R532-E535 PolarHBondContact O-N 2.86Å; R532-Q536 VanDerWaalsContact O-CG 3.29Å; R532-Q536 WeakPolarHBondContact O-CG 3.24Å; R532-Q536 PolarHBondContact O-N 3.33Å
533E93.7Very high91.3Very high120 Ų120104.7 Ų104.756%0.56151%0.51SS*.Hα-helixtrans-60-46.3174.1-71.6-176.1155.700111.9E529 Q531 E535 Q536 L537E529-E533 WeakPolarHBondContact O-CG 3.35Å; E529-E533 PolarHBondContact O-N 2.96Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 PolarHBondContact O-N 2.89Å; E533-E535 VanDerWaalsContact C-N 3.27Å; E533-E535 PolarHBondContact O-N 3.05Å; E533-Q536 PolarHBondContact O-N 3.27Å; E533-L537 WeakPolarHBondContact O-CB 3.26Å; E533-L537 VanDerWaalsContact O-CG 3.3Å; E533-L537 WeakPolarHBondContact O-CG 3.29Å; E533-L537 PolarHBondContact O-N 3.5Å
534R92.4Very high90.3Very high171 Ų171105.6 Ų105.665%0.64551%0.511SS*.Hα-helixtrans-62.9-33.9176.6-77170.6176.4-168.7-0.6112.5A530 Q531 R538A530-R534 WeakPolarHBondContact O-CB 3.22Å; A530-R534 VanDerWaalsContact O-CD 3.29Å; A530-R534 WeakPolarHBondContact O-CD 3.5Å; A530-R534 WeakPolarHBondContact O-CG 3.42Å; A530-R534 PolarHBondContact O-N 3.04Å; Q531-R534 WeakPolarHBondContact O-CB 3.39Å; Q531-R534 PolarHBondContact O-N 2.95Å; Q531-R534 VanDerWaalsContact O-N 3.14Å; R534-R538 WeakPolarHBondContact O-CB 3.32Å; R534-R538 WeakPolarHBondContact O-CD 3.25Å; R534-R538 WeakPolarHBondContact O-CG 3.33Å; R534-R538 PolarHBondContact O-N 2.96Å
535E91.6Very high89Confident121 Ų121104.1 Ų104.157%0.56551%0.514SS*.Hα-helixtrans-73.1-40.6175.3-72.3178.9171.500112Q531 R532 E533 R538 A539Q531-E535 WeakPolarHBondContact O-CG 3.32Å; Q531-E535 PolarHBondContact O-N 3.26Å; R532-E535 PolarHBondContact O-N 2.86Å; E533-E535 VanDerWaalsContact C-N 3.27Å; E533-E535 PolarHBondContact O-N 3.05Å; E535-R538 PolarHBondContact O-N 3.45Å; E535-A539 WeakPolarHBondContact O-CB 3.49Å; E535-A539 PolarHBondContact O-N 3Å
536Q92.3Very high87.8Confident135 Ų135104.6 Ų104.663%0.63152%0.52SS*.Hα-helixtrans-60.8-46.9171.9-71.2170.322.400111.7R532 E533 R538 A539 A540R532-Q536 VanDerWaalsContact O-CG 3.29Å; R532-Q536 WeakPolarHBondContact O-CG 3.24Å; R532-Q536 PolarHBondContact O-N 3.33Å; E533-Q536 PolarHBondContact O-N 3.27Å; Q536-R538 VanDerWaalsContact C-N 3.35Å; Q536-R538 PolarHBondContact O-N 3.34Å; Q536-A539 PolarHBondContact O-N 2.92Å; Q536-A540 WeakPolarHBondContact O-CB 3.5Å; Q536-A540 PolarHBondContact O-N 2.7Å
537L91.4Very high86.2Confident126 Ų126106.7 Ų106.766%0.6653%0.533SS*.Hα-helixtrans-63.9-37.5176.7-70.1170.7000112.2E533 A541E533-L537 WeakPolarHBondContact O-CB 3.26Å; E533-L537 VanDerWaalsContact O-CG 3.3Å; E533-L537 WeakPolarHBondContact O-CG 3.29Å; E533-L537 PolarHBondContact O-N 3.5Å; L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.15Å
538R90.3Very high84.5Confident163 Ų163108.5 Ų108.562%0.61554%0.542SS*.Hα-helixtrans-65.8-42.1172.2-78.8166.9172.8-179.7-3.9112.2R534 E535 Q536 A541 Q542R534-R538 WeakPolarHBondContact O-CB 3.32Å; R534-R538 WeakPolarHBondContact O-CD 3.25Å; R534-R538 WeakPolarHBondContact O-CG 3.33Å; R534-R538 PolarHBondContact O-N 2.96Å; E535-R538 PolarHBondContact O-N 3.45Å; Q536-R538 VanDerWaalsContact C-N 3.35Å; Q536-R538 PolarHBondContact O-N 3.34Å; R538-A541 PolarHBondContact O-N 3.09Å; R538-Q542 WeakPolarHBondContact O-CB 3.26Å; R538-Q542 VanDerWaalsContact O-CG 3.26Å; R538-Q542 WeakPolarHBondContact O-CG 3.39Å; R538-Q542 PolarHBondContact O-N 3.26Å
539A90.4Very high82.3Confident39 Ų39111.6 Ų111.632%0.32256%0.556SS.*Hα-helixtrans-65.7-41.2177.800000111.6E535 Q536 Q542 Q543E535-A539 WeakPolarHBondContact O-CB 3.49Å; E535-A539 PolarHBondContact O-N 3Å; Q536-A539 PolarHBondContact O-N 2.92Å; A539-Q542 PolarHBondContact O-N 2.84Å; A539-Q543 WeakPolarHBondContact O-CG 3.19Å; A539-Q543 PolarHBondContact O-N 3.22Å
540A87.6Confident80.3Confident44 Ų44112.4 Ų112.436%0.36457%0.571SS.*Hα-helixtrans-60.2-51.5172.700000111.4Q536 Q542 Q543 E544Q536-A540 WeakPolarHBondContact O-CB 3.5Å; Q536-A540 PolarHBondContact O-N 2.7Å; A540-Q542 VanDerWaalsContact C-N 3.26Å; A540-Q542 PolarHBondContact O-N 3.35Å; A540-Q543 WeakPolarHBondContact O-CB 3.25Å; A540-Q543 PolarHBondContact O-N 2.92Å; A540-E544 WeakPolarHBondContact O-CG 3.2Å; A540-E544 PolarHBondContact O-N 3.5Å
541A84.3Confident78Confident52 Ų52119.8 Ų119.843%0.4360%0.598SS.*Hα-helixtrans-61.4-31.5177.400000113.3L537 R538 A545L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.15Å; R538-A541 PolarHBondContact O-N 3.09Å; A541-A545 VanDerWaalsContact O-CB 3.28Å; A541-A545 WeakPolarHBondContact O-CB 3.29Å; A541-A545 PolarHBondContact O-N 3.45Å
542Q79.8Confident75.6Confident130 Ų130121.5 Ų121.561%0.60762%0.615SS**Hα-helixtrans-70.9-38.6172.4-76.5173.62.400112.4R538 A539 A540 A545 L546R538-Q542 WeakPolarHBondContact O-CB 3.26Å; R538-Q542 VanDerWaalsContact O-CG 3.26Å; R538-Q542 WeakPolarHBondContact O-CG 3.39Å; R538-Q542 PolarHBondContact O-N 3.26Å; A539-Q542 PolarHBondContact O-N 2.84Å; A540-Q542 VanDerWaalsContact C-N 3.26Å; A540-Q542 PolarHBondContact O-N 3.35Å; Q542-A545 PolarHBondContact O-N 2.93Å; Q542-L546 WeakPolarHBondContact O-CB 3.44Å; Q542-L546 VanDerWaalsContact O-CG 3.29Å; Q542-L546 WeakPolarHBondContact O-CG 3.34Å; Q542-L546 PolarHBondContact O-N 2.93Å
543Q77.3Confident73.3Confident129 Ų129120.6 Ų120.660%0.60363%0.625SS**Hα-helixtrans-66.2-43.2174.4-71171.621.600111.2A539 A540 A545 L546 L547A539-Q543 WeakPolarHBondContact O-CG 3.19Å; A539-Q543 PolarHBondContact O-N 3.22Å; A540-Q543 WeakPolarHBondContact O-CB 3.25Å; A540-Q543 PolarHBondContact O-N 2.92Å; Q543-A545 PolarHBondContact O-N 3.25Å; Q543-L546 PolarHBondContact O-N 3.34Å; Q543-L547 WeakPolarHBondContact O-CG 3.5Å; Q543-L547 PolarHBondContact O-N 3.02Å
544E74.9Confident70.6Confident127 Ų127121.8 Ų121.859%0.59364%0.635SS**Hα-helixtrans-59.4-44.9172.2-69.8177.8165.700111.8A540 L546 L547 L548A540-E544 WeakPolarHBondContact O-CG 3.2Å; A540-E544 PolarHBondContact O-N 3.5Å; E544-L546 VanDerWaalsContact C-N 3.33Å; E544-L546 PolarHBondContact O-N 3.27Å; E544-L547 PolarHBondContact O-N 3.27Å; E544-L548 WeakPolarHBondContact O-CD1 3.3Å; E544-L548 WeakPolarHBondContact O-CG 3.48Å; E544-L548 PolarHBondContact O-N 3.42Å
545A69.7Low68Low59 Ų59122.5 Ų122.549%0.48865%0.646SS.*Hα-helixtrans-64.3-33.9177.100000113.4A541 Q542 Q543 L548A541-A545 VanDerWaalsContact O-CB 3.28Å; A541-A545 WeakPolarHBondContact O-CB 3.29Å; A541-A545 PolarHBondContact O-N 3.45Å; Q542-A545 PolarHBondContact O-N 2.93Å; Q543-A545 PolarHBondContact O-N 3.25Å; A545-L548 PolarHBondContact O-N 2.89Å
546L70.2Confident65.3Low122 Ų122122.8 Ų122.864%0.63965%0.651SS**Hα-helixtrans-71.9-32.1174.8-73.7169000112.6Q542 Q543 E544 L548Q542-L546 WeakPolarHBondContact O-CB 3.44Å; Q542-L546 VanDerWaalsContact O-CG 3.29Å; Q542-L546 WeakPolarHBondContact O-CG 3.34Å; Q542-L546 PolarHBondContact O-N 2.93Å; Q543-L546 PolarHBondContact O-N 3.34Å; E544-L546 VanDerWaalsContact C-N 3.33Å; E544-L546 PolarHBondContact O-N 3.27Å; L546-L548 PolarHBondContact O-N 2.92Å
547L62.3Low62.6Low155 Ų155126.6 Ų126.681%0.81266%0.66SS**Hα-helixtrans-72.6-11.4173.5-69.3170.3000113.5Q543 E544Q543-L547 WeakPolarHBondContact O-CG 3.5Å; Q543-L547 PolarHBondContact O-N 3.02Å; E544-L547 PolarHBondContact O-N 3.27Å
548L60.9Low59.7Low135 Ų135124.8 Ų124.871%0.70766%0.663SS**THydrogen-bonded Turntrans-103.110.2-175.7-74169.2000114.9E544 A545 L546 P550E544-L548 WeakPolarHBondContact O-CD1 3.3Å; E544-L548 WeakPolarHBondContact O-CG 3.48Å; E544-L548 PolarHBondContact O-N 3.42Å; A545-L548 PolarHBondContact O-N 2.89Å; L546-L548 PolarHBondContact O-N 2.92Å; L548-P550 VanDerWaalsContact O-CD 3.3Å; L548-P550 WeakPolarHBondContact O-CD 3.32Å
549Q45.8Very low57.9Low151 Ų151122.7 Ų122.771%0.70667%0.671SS**PPolyproline II helixtrans-72.1121.8173.9-73.9-163.22.400112.4
550P54Low55.1Low119 Ų119125.3 Ų125.377%0.77369%0.693SS**PPolyproline II helixtrans-76.6133.3174.8-13.230.2000112L548L548-P550 VanDerWaalsContact O-CD 3.3Å; L548-P550 WeakPolarHBondContact O-CD 3.32Å
551Q47Very low52.6Low195 Ų195127.8 Ų127.891%0.91171%0.707SS**PPolyproline II helixtrans-83.2125.3168-64.2-179.1-200110.5
552V39.8Very low50.2Low135 Ų135132.7 Ų132.782%0.81873%0.725SS**  trans-144122169-173.60000110.1
553P43.2Very low47.8Very low104 Ų104131.9 Ų131.968%0.67573%0.73SS**  trans-103.7151175.537.2-32.1000114.7
554D36.9Very low45.7Very low145 Ų145130.4 Ų130.478%0.77573%0.734SS**  trans34.2121.1145.1-51.5-30.4000122.6
555Q38Very low43.7Very low186 Ų186133.1 Ų133.187%0.86975%0.746SS**  -166.7136.7121.2-109.3151.2103.300116.6
556D35.8Very low41.9Very low127 Ų127139.1 Ų139.168%0.67976%0.764SS**  trans-1.9159.5143.9-69.6-74.3000122.6
557R34.5Very low40.2Very low215 Ų215141.6 Ų141.681%0.81177%0.772SS**  cis179.8117.7-12.9172175.3-173.7151.9-2.1115
558A31.7Very low38.9Very low89 Ų89140.6 Ų140.674%0.73677%0.772SS**  trans57.9-176.3146.600000119.8
559P51.9Low37.4Very low118 Ų118137.3 Ų137.377%0.76677%0.771SS**  cis-134.3174.1-1934.8-15.5000116.9
560A32Very low37.4Very low95 Ų95136.3 Ų136.379%0.78578%0.777SS**  trans74.4149.7149.100000121.3
561S35.1Very low36.3Very low95 Ų95134.8 Ų134.866%0.66478%0.775SS**  cis-178159.7-1950.70000113.4
562L33.3Very low35.6Very low155 Ų155132.2 Ų132.281%0.81278%0.777SS**  trans74.9146163-49.7-171.7000116.9
563T30.4Very low35.3Very low114 Ų114134.6 Ų134.670%0.69978%0.779SS**  cis-157.7145.9-5.74.20000111.5
564S31.6Very low34.8Very low98 Ų98134.3 Ų134.369%0.68579%0.786SS**  trans46.6147.5140.370.70000122.7
565E33.8Very low34.3Very low184 Ų184136.6 Ų136.686%0.8679%0.789SS**  cis-102.8-1287.5-65.4-178.87700111.4
566E32.4Very low34Very low184 Ų184133.7 Ų133.786%0.8678%0.778SS**  cis-147-1370-151.5175.3-159.500109.8
567E34.7Very low33.8Very low175 Ų175136.1 Ų136.182%0.81878%0.783SS**  trans-88.5142.3-160.6-63.5-159.6137.400118.9
568V33.3Very low33.6Very low134 Ų134133.8 Ų133.881%0.81278%0.781SS**  trans48.2113.4140.5-176.50000120.3
569G31Very low33.8Very low65 Ų65135.6 Ų135.667%0.6778%0.778SS**  trans-93.5-169.2159.500000113.4
570P44.7Very low32.8Very low130 Ų130136.6 Ų136.684%0.84477%0.773SS**  cis-134.4-16019.644.4-27.6000114.5
571A30.4Very low32.9Very low88 Ų88142.3 Ų142.373%0.72778%0.78SS**  trans78.2110.7167.700000117.5Q573A571-Q573 PolarHBondContact O-N 2.76Å
572C33.5Very low32.7Very low141 Ų141144.7 Ų144.795%0.95378%0.781SS**  trans-72.7115.9164.5-55.70000110
573Q32.8Very low32.7Very low184 Ų184143.8 Ų143.886%0.8678%0.777SS**  trans-113.8153158.5-78.4-170.2-14.200110A571 F575A571-Q573 PolarHBondContact O-N 2.76Å; Q573-F575 PolarHBondContact O-N 3.37Å
574A33.2Very low32.8Very low98 Ų98145.1 Ų145.181%0.8178%0.784SS**  trans-63.7127.6-171.100000111.6I576A574-I576 PolarHBondContact O-N 3.29Å; A574-I576 VanDerWaalsContact O-N 3.1Å
575F27.2Very low32.7Very low193 Ų193143.6 Ų143.685%0.84678%0.784SS**  trans-74.3104.7179.7-143.6-86.1000109.9Q573 F577Q573-F575 PolarHBondContact O-N 3.37Å; F575-F577 PolarHBondContact O-N 3.38Å
576I30.5Very low32.5Very low126 Ų126145.2 Ų145.265%0.64679%0.789SS**  trans-65.4130.9170.4-64.9173000108A574 Q578A574-I576 PolarHBondContact O-N 3.29Å; A574-I576 VanDerWaalsContact O-N 3.1Å; I576-Q578 HydrophobicContact CG2-CB 3.63Å
577F31.4Very low32.4Very low178 Ų178142 Ų14278%0.78179%0.786SS**  trans-116.2103.5161-138.4-79.5000108.6F575 L579F575-F577 PolarHBondContact O-N 3.38Å; F577-L579 HydrophobicContact CE1-CD1 4.45Å
578Q30.6Very low32.2Very low165 Ų165138.5 Ų138.577%0.77179%0.787SS**  trans-13895.3-175.5-171.1170.88.600109.3I576I576-Q578 HydrophobicContact CG2-CB 3.63Å
579L36.2Very low32.2Very low127 Ų127136.3 Ų136.367%0.66578%0.784SS**  trans-149.7141.4171.7-76.6174.9000107.1F577F577-L579 HydrophobicContact CE1-CD1 4.45Å
580E30.6Very low32.4Very low140 Ų140139.8 Ų139.865%0.65479%0.791SS**  cis-167.2134.4-26.8-136174.5-162.500105.7
581F33.3Very low32Very low215 Ų215141.9 Ų141.994%0.94379%0.792SS**  trans-148.282.7172.2-99.5-73.8000110.5
582Q32.2Very low32.4Very low145 Ų145144.4 Ų144.468%0.67880%0.799SS**  trans-65.5151.4151.7-72.3165.62.200108.4
583D33.8Very low32.3Very low136 Ų136142.7 Ų142.773%0.72779%0.788SS**  cis-149.4175.5-6.1-100.1-29.6000105.5
584V30.9Very low32.4Very low142 Ų142139.8 Ų139.886%0.86179%0.787SS**  cis-146.3140.236.4-179.10000109.1
585G30.1Very low32.3Very low66 Ų66144.6 Ų144.668%0.6879%0.79SS**  trans-75.1167.3-166.600000117.7
586F30.5Very low33.1Very low218 Ų218142.9 Ų142.996%0.95679%0.788SS**  trans-116.1138.7154.9-121.1-97.9000108.4
587S29.9Very low33.1Very low116 Ų116145 Ų14581%0.81180%0.796SS**  trans-71.4136.2-168.9-167.30000112.6
588A30.3Very low33.7Very low101 Ų101141.3 Ų141.384%0.83580%0.798SS**  trans-70.3128.4167.400000110.4
589A32.2Very low34Very low89 Ų89139.5 Ų139.574%0.73680%0.798SS**  trans-156152.9165.300000109.1
590V35Very low34Very low137 Ų137137.7 Ų137.783%0.8380%0.802SS**  trans62.376.3175.9-163.50000115
591M36.6Very low34.9Very low174 Ų174136.2 Ų136.286%0.85780%0.804SS**  trans-148.252.5158.5-121.7-67.8-91.200111.2
592T38.9Very low35.4Very low142 Ų142130.2 Ų130.287%0.87179%0.794SS**  trans-151.245.5-178.7-34.40000113.6
593S31.1Very low35.9Very low104 Ų104131.3 Ų131.373%0.72780%0.799SS**  trans-158.290.6163.358.70000111.4
594C34.8Very low36.5Very low123 Ų123132.2 Ų132.283%0.83180%0.799SS**  trans-139.980.4171.9-89.50000110.5
595F32.2Very low37.8Very low199 Ų199130.5 Ų130.587%0.87379%0.785SS**  trans-150.3137.1156.4-108.8-77.4000109.1
596L43.5Very low39.1Very low157 Ų157131.5 Ų131.582%0.82278%0.778SS**  trans60.886.2170-54.2177.2000117.4
597Q30.3Very low40.4Very low171 Ų171125 Ų12580%0.79976%0.76SS**  -155.3128.7120-163.471.9-2.300108.8V599Q597-V599 HydrophobicContact CG-CG2 4.02Å
598A45.5Very low42.4Very low101 Ų101122.3 Ų122.384%0.83574%0.738SS**  trans-93.3120.5171.300000109.4
599V37Very low44.7Very low126 Ų126118.8 Ų118.876%0.76471%0.712SS**  trans-139.2139.5171.9-176.40000107.3Q597Q597-V599 HydrophobicContact CG-CG2 4.02Å
600A34.4Very low47Very low90 Ų90122.5 Ų122.574%0.74471%0.707SS**  trans-76.5144.6-173.500000112.9
601P49.7Very low49.3Very low108 Ų108120.8 Ų120.870%0.70169%0.692SS**  trans-81.1148.4175.334.2-34.7000111.9
602A44.2Very low51.5Low89 Ų89120.8 Ų120.874%0.73668%0.683SS**  trans-157.8-16.7174.600000116.5
603Q42.5Very low53.9Low169 Ų169119.7 Ų119.779%0.7967%0.671SS**SBendtrans-128.8-10.5-174.2-73.2-168.2-25.500116
604E47.5Very low56.7Low154 Ų154122.5 Ų122.572%0.7267%0.667SS**Hα-helixtrans-81.9-28.4-176.6-59.1-165.5156.900112.8S607 T608E604-S607 PolarHBondContact O-N 2.97Å; E604-T608 WeakPolarHBondContact O-CG2 3.38Å; E604-T608 PolarHBondContact O-N 3.2Å; E604-T608 PolarHBondContact O-OG1 3.25Å
605D56.8Low59.2Low106 Ų106121.7 Ų121.757%0.56765%0.651SS**Hα-helixtrans-67.6-39.2-175.4-60-72.5000113.5S607 T608 G609D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 3.42Å; D605-T608 WeakPolarHBondContact CA-OG1 3.15Å; D605-T608 PolarHBondContact O-OG1 3.23Å; D605-G609 WeakPolarHBondContact O-CA 3.3Å; D605-G609 PolarHBondContact O-N 3.41Å
606V58.1Low61.9Low88 Ų88117.3 Ų117.353%0.53363%0.633SS.*Hα-helixtrans-65.6-38.7176.2-177.40000110.8R610V606-R610 WeakPolarHBondContact O-CB 3.24Å; V606-R610 VanDerWaalsContact O-CG 3.25Å; V606-R610 WeakPolarHBondContact O-CG 3.4Å; V606-R610 PolarHBondContact O-N 3.18Å
607S57.8Low64.3Low82 Ų82117.2 Ų117.257%0.57362%0.622SS**Hα-helixtrans-71.5-44.5-179.8-620000111.7E604 D605 L611E604-S607 PolarHBondContact O-N 2.97Å; D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 3.42Å; S607-L611 WeakPolarHBondContact O-CB 3.44Å; S607-L611 PolarHBondContact O-N 3.49Å
608T71.9Confident67.2Low59 Ų59114.1 Ų114.136%0.36261%0.61SS.*Hα-helixtrans-71.6-34.8176.856.70000112.5E604 D605 L611 R612E604-T608 WeakPolarHBondContact O-CG2 3.38Å; E604-T608 PolarHBondContact O-N 3.2Å; E604-T608 PolarHBondContact O-OG1 3.25Å; D605-T608 WeakPolarHBondContact CA-OG1 3.15Å; D605-T608 PolarHBondContact O-OG1 3.23Å; T608-L611 WeakPolarHBondContact O-CB 3.21Å; T608-L611 PolarHBondContact O-N 2.9Å; T608-R612 WeakPolarHBondContact O-CG 3.5Å; T608-R612 PolarHBondContact O-N 3.37Å
609G79Confident69.5Low27 Ų27114.5 Ų114.528%0.27860%0.598SS.*Hα-helixtrans-60.7-49.1171.300000112.2D605 L611 R612 L613D605-G609 WeakPolarHBondContact O-CA 3.3Å; D605-G609 PolarHBondContact O-N 3.41Å; G609-L611 VanDerWaalsContact C-N 3.32Å; G609-L611 PolarHBondContact O-N 3.37Å; G609-R612 PolarHBondContact O-N 3.04Å; G609-L613 WeakPolarHBondContact O-CG 3.47Å; G609-L613 PolarHBondContact O-N 3.1Å
610R80.8Confident72.2Confident167 Ų167112.7 Ų112.763%0.6358%0.581SS**Hα-helixtrans-58.4-42.1172.8-74.2173.3-179.1-166.20.7111.9V606 R612 L613 Y614V606-R610 WeakPolarHBondContact O-CB 3.24Å; V606-R610 VanDerWaalsContact O-CG 3.25Å; V606-R610 WeakPolarHBondContact O-CG 3.4Å; V606-R610 PolarHBondContact O-N 3.18Å; R610-R612 PolarHBondContact O-N 2.89Å; R610-L613 PolarHBondContact O-N 2.89Å; R610-Y614 VanDerWaalsContact O-CD2 3.28Å; R610-Y614 WeakPolarHBondContact O-CD2 3.28Å; R610-Y614 PolarHBondContact O-N 3.5Å
611L83.2Confident74.7Confident100 Ų100113.8 Ų113.852%0.52457%0.57SS.*Hα-helixtrans-61-44.2176.8-168.474.1000112.2S607 T608 G609 Y614 Q615S607-L611 WeakPolarHBondContact O-CB 3.44Å; S607-L611 PolarHBondContact O-N 3.49Å; T608-L611 WeakPolarHBondContact O-CB 3.21Å; T608-L611 PolarHBondContact O-N 2.9Å; G609-L611 VanDerWaalsContact C-N 3.32Å; G609-L611 PolarHBondContact O-N 3.37Å; L611-Y614 PolarHBondContact O-N 2.98Å; L611-Q615 VanDerWaalsContact O-CG 3.32Å; L611-Q615 WeakPolarHBondContact O-CG 3.28Å; L611-Q615 PolarHBondContact O-N 3.15Å
612R82.9Confident76.8Confident175 Ų175112.3 Ų112.366%0.6656%0.557SS**Hα-helixtrans-62.3-42.9176.3-71.1172-172.5172.16.3111.9T608 G609 R610 Y614 Q615 Q616T608-R612 WeakPolarHBondContact O-CG 3.5Å; T608-R612 PolarHBondContact O-N 3.37Å; G609-R612 PolarHBondContact O-N 3.04Å; R610-R612 PolarHBondContact O-N 2.89Å; R612-Y614 PolarHBondContact O-N 3.17Å; R612-Q615 PolarHBondContact O-N 2.94Å; R612-Q616 WeakPolarHBondContact O-CB 3.27Å; R612-Q616 PolarHBondContact O-N 3.48Å
613L88.2Confident79.1Confident119 Ų119115.5 Ų115.562%0.62355%0.55SS*.Hα-helixtrans-62.6-41.1175.7-70.7170.2000112.2G609 R610 Q616 R617G609-L613 WeakPolarHBondContact O-CG 3.47Å; G609-L613 PolarHBondContact O-N 3.1Å; R610-L613 PolarHBondContact O-N 2.89Å; L613-Q616 PolarHBondContact O-N 2.98Å; L613-R617 WeakPolarHBondContact O-CB 3.38Å; L613-R617 PolarHBondContact O-N 2.85Å
614Y89.3Confident81.5Confident163 Ų163112.9 Ų112.964%0.63954%0.54SS*.Hα-helixtrans-64-43.3173.3-87.5-67.5000112.4R610 L611 R612 R617 L618R610-Y614 VanDerWaalsContact O-CD2 3.28Å; R610-Y614 WeakPolarHBondContact O-CD2 3.28Å; R610-Y614 PolarHBondContact O-N 3.5Å; L611-Y614 PolarHBondContact O-N 2.98Å; R612-Y614 PolarHBondContact O-N 3.17Å; Y614-R617 PolarHBondContact O-N 3.46Å; Y614-L618 WeakPolarHBondContact O-CB 3.47Å; Y614-L618 PolarHBondContact O-N 2.88Å
615Q88.3Confident83.5Confident106 Ų106111 Ų11150%0.49553%0.531SS..Hα-helixtrans-62-43.7175.8-72.5170.6-4.400111.9L611 R612 L618 L619L611-Q615 VanDerWaalsContact O-CG 3.32Å; L611-Q615 WeakPolarHBondContact O-CG 3.28Å; L611-Q615 PolarHBondContact O-N 3.15Å; R612-Q615 PolarHBondContact O-N 2.94Å; Q615-L618 WeakPolarHBondContact O-CB 3.39Å; Q615-L618 PolarHBondContact O-N 3.5Å; Q615-L619 WeakPolarHBondContact O-CG 3.33Å; Q615-L619 PolarHBondContact O-N 3.25Å
616Q89.1Confident85.2Confident107 Ų107111.1 Ų111.150%0.553%0.528SS..Hα-helixtrans-62.3-47.8176.5-178.2174.5-16.200111.8R612 L613 L618 L619 E620R612-Q616 WeakPolarHBondContact O-CB 3.27Å; R612-Q616 PolarHBondContact O-N 3.48Å; L613-Q616 PolarHBondContact O-N 2.98Å; Q616-L618 VanDerWaalsContact C-N 3.26Å; Q616-L618 PolarHBondContact O-N 3.4Å; Q616-L619 PolarHBondContact O-N 3.26Å; Q616-L619 VanDerWaalsContact O-N 3.12Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.33Å; Q616-E620 PolarHBondContact NE2-OE1 3.29Å; Q616-E620 VanDerWaalsContact NE2-OE1 3.1Å; Q616-E620 PolarHBondContact O-N 2.87Å
617R93.4Very high86.9Confident154 Ų154115 Ų11558%0.58153%0.533SS*.Hα-helixtrans-58.3-38.1174.9179.8176.3-77.4-176.8-3111.8L613 Y614 E620 Q621L613-R617 WeakPolarHBondContact O-CB 3.38Å; L613-R617 PolarHBondContact O-N 2.85Å; Y614-R617 PolarHBondContact O-N 3.46Å; R617-E620 PolarHBondContact O-N 3.19Å; R617-Q621 WeakPolarHBondContact O-CB 3.39Å; R617-Q621 WeakPolarHBondContact O-CG 3.43Å; R617-Q621 PolarHBondContact O-N 2.95Å
618L92.4Very high88.5Confident106 Ų106114.1 Ų114.156%0.55553%0.527SS*.Hα-helixtrans-67.1-37.8176.8-15486.7000112.3Y614 Q615 Q616 N622Y614-L618 WeakPolarHBondContact O-CB 3.47Å; Y614-L618 PolarHBondContact O-N 2.88Å; Q615-L618 WeakPolarHBondContact O-CB 3.39Å; Q615-L618 PolarHBondContact O-N 3.5Å; Q616-L618 VanDerWaalsContact C-N 3.26Å; Q616-L618 PolarHBondContact O-N 3.4Å; L618-N622 WeakPolarHBondContact O-CB 3.15Å; L618-N622 PolarHBondContact O-N 3.45Å; L618-N622 PolarHBondContact O-ND2 2.95Å
619L93Very high89.6Confident110 Ų110113.6 Ų113.658%0.57652%0.523SS*.Hα-helixtrans-69.3-38.8175.5-70.8170.7000111.9Q615 Q616 N622 R623Q615-L619 WeakPolarHBondContact O-CG 3.33Å; Q615-L619 PolarHBondContact O-N 3.25Å; Q616-L619 PolarHBondContact O-N 3.26Å; Q616-L619 VanDerWaalsContact O-N 3.12Å; L619-N622 PolarHBondContact O-N 2.91Å; L619-R623 WeakPolarHBondContact O-CG 3.4Å; L619-R623 PolarHBondContact O-N 3.45Å
620E92.9Very high90.3Very high87 Ų87117 Ų11741%0.40753%0.532SS..Hα-helixtrans-65.3-44.4173.8-73.2169.8-168.700111.6Q616 R617 N622 R623 I624Q616-E620 WeakPolarHBondContact CG-OE1 3.33Å; Q616-E620 PolarHBondContact NE2-OE1 3.29Å; Q616-E620 VanDerWaalsContact NE2-OE1 3.1Å; Q616-E620 PolarHBondContact O-N 2.87Å; R617-E620 PolarHBondContact O-N 3.19Å; E620-N622 VanDerWaalsContact C-N 3.34Å; E620-N622 PolarHBondContact O-N 2.96Å; E620-R623 PolarHBondContact O-N 3.39Å; E620-I624 VanDerWaalsContact O-CG1 3.31Å; E620-I624 WeakPolarHBondContact O-CG1 3.32Å; E620-I624 PolarHBondContact O-N 2.85Å
621Q88.6Confident91Very high113 Ų113111.9 Ų111.953%0.52852%0.519SS..Hα-helixtrans-60-41.1173-75.9178.3-12.900112.3R617 I624 H625R617-Q621 WeakPolarHBondContact O-CB 3.39Å; R617-Q621 WeakPolarHBondContact O-CG 3.43Å; R617-Q621 PolarHBondContact O-N 2.95Å; Q621-I624 PolarHBondContact O-N 2.95Å; Q621-H625 WeakPolarHBondContact O-CB 3.47Å; Q621-H625 PolarHBondContact O-N 3.36Å
622N92.3Very high91.4Very high77 Ų77109.9 Ų109.941%0.41252%0.517SS..Hα-helixtrans-63.3-42.1173.9-87.8-81.6000112.6L618 L619 E620 H625 Q626L618-N622 WeakPolarHBondContact O-CB 3.15Å; L618-N622 PolarHBondContact O-N 3.45Å; L618-N622 PolarHBondContact O-ND2 2.95Å; L619-N622 PolarHBondContact O-N 2.91Å; E620-N622 VanDerWaalsContact C-N 3.34Å; E620-N622 PolarHBondContact O-N 2.96Å; N622-H625 PolarHBondContact O-N 3.32Å; N622-Q626 WeakPolarHBondContact O-CB 3.34Å; N622-Q626 VanDerWaalsContact O-CG 3.27Å; N622-Q626 WeakPolarHBondContact O-CG 3.48Å; N622-Q626 PolarHBondContact O-N 2.87Å
623R93.4Very high91.8Very high157 Ų157109.1 Ų109.159%0.59251%0.514SS*.Hα-helixtrans-63.6-40175.3-73.9168.8172.4178.8-1.9112.3L619 E620 R627L619-R623 WeakPolarHBondContact O-CG 3.4Å; L619-R623 PolarHBondContact O-N 3.45Å; E620-R623 PolarHBondContact O-N 3.39Å; R623-R627 VanDerWaalsContact O-CG 3.32Å; R623-R627 WeakPolarHBondContact O-CG 3.38Å; R623-R627 PolarHBondContact O-N 2.95Å; R623-R627 VanDerWaalsContact O-N 3.1Å
624I92Very high92.1Very high113 Ų113108.7 Ų108.758%0.57951%0.509SS*.Hα-helixtrans-65.7-42.8175.1-67.4164.7000110.3E620 Q621 R627 S628E620-I624 VanDerWaalsContact O-CG1 3.31Å; E620-I624 WeakPolarHBondContact O-CG1 3.32Å; E620-I624 PolarHBondContact O-N 2.85Å; Q621-I624 PolarHBondContact O-N 2.95Å; I624-R627 PolarHBondContact O-N 3.47Å; I624-S628 PolarHBondContact O-N 3.33Å
625H89.7Confident92.2Very high114 Ų114109 Ų10953%0.52851%0.509SS..Hα-helixtrans-65-43.1177.3-175.762.9000112.6Q621 N622 R627 S628 V629Q621-H625 WeakPolarHBondContact O-CB 3.47Å; Q621-H625 PolarHBondContact O-N 3.36Å; N622-H625 PolarHBondContact O-N 3.32Å; H625-R627 PolarHBondContact O-N 3.27Å; H625-S628 PolarHBondContact O-N 2.94Å; H625-S628 PolarHBondContact O-OG 3.4Å; H625-V629 WeakPolarHBondContact O-CG2 3.5Å; H625-V629 PolarHBondContact O-N 3.14Å
626Q92.8Very high92.5Very high109 Ų109108.7 Ų108.751%0.50951%0.51SS..Hα-helixtrans-56.9-50.3174-75.4167.3-7.500110.9N622 S628 V629 E630N622-Q626 WeakPolarHBondContact O-CB 3.34Å; N622-Q626 VanDerWaalsContact O-CG 3.27Å; N622-Q626 WeakPolarHBondContact O-CG 3.48Å; N622-Q626 PolarHBondContact O-N 2.87Å; Q626-S628 VanDerWaalsContact C-N 3.33Å; Q626-S628 PolarHBondContact O-N 2.74Å; Q626-V629 PolarHBondContact O-N 3.36Å; Q626-V629 VanDerWaalsContact O-N 3.15Å; Q626-E630 WeakPolarHBondContact O-CG 3.34Å; Q626-E630 PolarHBondContact O-N 2.98Å
627R93.9Very high92.7Very high170 Ų170107.8 Ų107.864%0.64251%0.506SS*.Hα-helixtrans-58.7-39.8174.8-71.5171.1177.3-177.3-1.8112.8R623 I624 H625 E630 V631R623-R627 VanDerWaalsContact O-CG 3.32Å; R623-R627 WeakPolarHBondContact O-CG 3.38Å; R623-R627 PolarHBondContact O-N 2.95Å; R623-R627 VanDerWaalsContact O-N 3.1Å; I624-R627 PolarHBondContact O-N 3.47Å; H625-R627 PolarHBondContact O-N 3.27Å; R627-E630 PolarHBondContact O-N 2.86Å; R627-V631 WeakPolarHBondContact O-CG2 3.46Å; R627-V631 PolarHBondContact O-N 2.96Å
628S91.3Very high92.7Very high63 Ų63106 Ų10644%0.44150%0.504SS..Hα-helixtrans-68.8-34.8177.774.30000112.5I624 H625 Q626 A632I624-S628 PolarHBondContact O-N 3.33Å; H625-S628 PolarHBondContact O-N 2.94Å; H625-S628 PolarHBondContact O-OG 3.4Å; Q626-S628 VanDerWaalsContact C-N 3.33Å; Q626-S628 PolarHBondContact O-N 2.74Å; S628-A632 WeakPolarHBondContact O-CB 3.25Å; S628-A632 PolarHBondContact O-N 2.9Å
629V94.3Very high92.7Very high48 Ų48108.4 Ų108.429%0.29151%0.507SS..Hα-helixtrans-70.1-37.4173.4170.20000111.4H625 Q626 A632 R633H625-V629 WeakPolarHBondContact O-CG2 3.5Å; H625-V629 PolarHBondContact O-N 3.14Å; Q626-V629 PolarHBondContact O-N 3.36Å; Q626-V629 VanDerWaalsContact O-N 3.15Å; V629-A632 PolarHBondContact O-N 3.41Å; V629-R633 VanDerWaalsContact O-CG 3.3Å; V629-R633 WeakPolarHBondContact O-CG 3.47Å; V629-R633 PolarHBondContact O-N 3.5Å
630E95Very high92.5Very high98 Ų98107.4 Ų107.446%0.45850%0.5SS..Hα-helixtrans-64-47.3173.9-73.4162.7-178.800111.7Q626 R627 A632 R633 Q634Q626-E630 WeakPolarHBondContact O-CG 3.34Å; Q626-E630 PolarHBondContact O-N 2.98Å; R627-E630 PolarHBondContact O-N 2.86Å; E630-A632 VanDerWaalsContact C-N 3.31Å; E630-A632 PolarHBondContact O-N 3.34Å; E630-R633 WeakPolarHBondContact O-CB 3.36Å; E630-R633 PolarHBondContact O-N 2.91Å; E630-R633 VanDerWaalsContact O-N 3.16Å; E630-Q634 WeakPolarHBondContact O-CG 3.33Å; E630-Q634 PolarHBondContact O-N 3.37Å
631V95.4Very high92.4Very high60 Ų60110 Ų11036%0.36451%0.506SS..Hα-helixtrans-62.8-36.8174.1171.20000111.6R627 Q634 R635R627-V631 WeakPolarHBondContact O-CG2 3.46Å; R627-V631 PolarHBondContact O-N 2.96Å; V631-Q634 PolarHBondContact O-N 3.44Å; V631-R635 WeakPolarHBondContact O-CG 3.19Å; V631-R635 PolarHBondContact O-N 3.03Å
632A90.4Very high92.4Very high58 Ų58106.8 Ų106.848%0.47950%0.498SS..Hα-helixtrans-65.8-38.3174.100000112.5S628 V629 E630 L636S628-A632 WeakPolarHBondContact O-CB 3.25Å; S628-A632 PolarHBondContact O-N 2.9Å; V629-A632 PolarHBondContact O-N 3.41Å; E630-A632 VanDerWaalsContact C-N 3.31Å; E630-A632 PolarHBondContact O-N 3.34Å; A632-L636 VanDerWaalsContact O-CB 3.3Å; A632-L636 WeakPolarHBondContact O-CB 3.29Å; A632-L636 PolarHBondContact O-N 2.94Å
633R93.2Very high92.1Very high160 Ų160106.3 Ų106.360%0.60450%0.495SS*.Hα-helixtrans-65.2-46.1173-73.3169.1-179.6177.80.9111.6V629 E630 R635 L636 E637V629-R633 VanDerWaalsContact O-CG 3.3Å; V629-R633 WeakPolarHBondContact O-CG 3.47Å; V629-R633 PolarHBondContact O-N 3.5Å; E630-R633 WeakPolarHBondContact O-CB 3.36Å; E630-R633 PolarHBondContact O-N 2.91Å; E630-R633 VanDerWaalsContact O-N 3.16Å; R633-R635 PolarHBondContact O-N 2.9Å; R633-L636 PolarHBondContact O-N 3.05Å; R633-L636 VanDerWaalsContact O-N 3.15Å; R633-E637 PolarHBondContact O-N 2.95Å
634Q93.8Very high91.6Very high109 Ų109107.8 Ų107.851%0.50950%0.501SS..Hα-helixtrans-57.5-49.5177.1-72.8168.4-800111.5E630 V631 L636 E637 E638E630-Q634 WeakPolarHBondContact O-CG 3.33Å; E630-Q634 PolarHBondContact O-N 3.37Å; V631-Q634 PolarHBondContact O-N 3.44Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 3.23Å; Q634-E637 WeakPolarHBondContact O-CB 3.37Å; Q634-E637 PolarHBondContact O-N 3.49Å; Q634-E637 VanDerWaalsContact O-N 3.17Å; Q634-E638 VanDerWaalsContact O-CG 3.31Å; Q634-E638 WeakPolarHBondContact O-CG 3.37Å; Q634-E638 PolarHBondContact O-N 3.1Å
635R92.1Very high91.2Very high171 Ų171109.2 Ų109.265%0.64551%0.508SS*.Hα-helixtrans-61.1-35.6175.8-71.4173.4179.3-176.60.2113.2V631 R633 Y639V631-R635 WeakPolarHBondContact O-CG 3.19Å; V631-R635 PolarHBondContact O-N 3.03Å; R633-R635 PolarHBondContact O-N 2.9Å; R635-Y639 WeakPolarHBondContact O-CB 3.49Å; R635-Y639 PolarHBondContact O-N 3.29Å
636L93.9Very high90.2Very high99 Ų99113.7 Ų113.752%0.51852%0.52SS..Hα-helixtrans-71-37.8176.3-178.2148.9000111.7A632 R633 Q634 Q640A632-L636 VanDerWaalsContact O-CB 3.3Å; A632-L636 WeakPolarHBondContact O-CB 3.29Å; A632-L636 PolarHBondContact O-N 2.94Å; R633-L636 PolarHBondContact O-N 3.05Å; R633-L636 VanDerWaalsContact O-N 3.15Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 3.23Å; L636-Q640 WeakPolarHBondContact O-CB 3.46Å; L636-Q640 WeakPolarHBondContact O-CG 3.24Å; L636-Q640 PolarHBondContact O-N 2.94Å
637E93.4Very high88.5Confident88 Ų88118.3 Ų118.341%0.41154%0.542SS..Hα-helixtrans-66.5-43.7170.8-75.8-173.2-135.300112.4R633 Q634 Y639 Q640 R641R633-E637 PolarHBondContact O-N 2.95Å; Q634-E637 WeakPolarHBondContact O-CB 3.37Å; Q634-E637 PolarHBondContact O-N 3.49Å; Q634-E637 VanDerWaalsContact O-N 3.17Å; E637-Y639 VanDerWaalsContact C-N 3.32Å; E637-Y639 PolarHBondContact O-N 2.92Å; E637-Q640 PolarHBondContact O-N 3.37Å; E637-R641 WeakPolarHBondContact O-CB 3.29Å; E637-R641 WeakPolarHBondContact O-CG 3.31Å; E637-R641 PolarHBondContact O-N 3Å; E637-R641 IonicContact OE2-CZ 2.67Å; E637-R641 IonicContact OE2-NE 3.14Å; E637-R641 IonicContact OE2-NH2 2.69Å; E637-R641 PolarHBondContact OE2-NH2 2.76Å
638E93.4Very high88.2Confident116 Ų116115.8 Ų115.854%0.54254%0.537SS..Hα-helixtrans-57.1-45.6173.7-73.5165.9176.300111Q634 R641 A642Q634-E638 VanDerWaalsContact O-CG 3.31Å; Q634-E638 WeakPolarHBondContact O-CG 3.37Å; Q634-E638 PolarHBondContact O-N 3.1Å; E638-R641 PolarHBondContact O-N 2.94Å; E638-A642 WeakPolarHBondContact O-CB 3.37Å; E638-A642 PolarHBondContact O-N 3.38Å
639Y91.9Very high88.1Confident157 Ų157118.5 Ų118.562%0.61654%0.542SS*.Hα-helixtrans-63.9-41.6175.6-172.2-106.6000112.4R635 E637 A642 L643R635-Y639 WeakPolarHBondContact O-CB 3.49Å; R635-Y639 PolarHBondContact O-N 3.29Å; E637-Y639 VanDerWaalsContact C-N 3.32Å; E637-Y639 PolarHBondContact O-N 2.92Å; Y639-A642 PolarHBondContact O-N 2.78Å; Y639-L643 HydrophobicContact CD1-CD1 3.92Å; Y639-L643 HydrophobicContact CE1-CD1 3.59Å; Y639-L643 HydrophobicContact CE1-CG 4.23Å; Y639-L643 WeakPolarHBondContact O-CG 3.43Å; Y639-L643 PolarHBondContact O-N 2.84Å
640Q88.6Confident87.7Confident89 Ų89122.4 Ų122.442%0.41656%0.556SS.*Hα-helixtrans-64.9-37.9173.7-75.5-177.411.700112.8L636 E637 L643 R644L636-Q640 WeakPolarHBondContact O-CB 3.46Å; L636-Q640 WeakPolarHBondContact O-CG 3.24Å; L636-Q640 PolarHBondContact O-N 2.94Å; E637-Q640 PolarHBondContact O-N 3.37Å; Q640-L643 PolarHBondContact O-N 2.81Å; Q640-R644 WeakPolarHBondContact O-CG 3.23Å; Q640-R644 PolarHBondContact O-N 3.39Å; Q640-R644 VanDerWaalsContact O-N 3.09Å
641R90.9Very high87.3Confident142 Ų142123.9 Ų123.954%0.53656%0.561SS.*Hα-helixtrans-65.7-43174.2-67.8165.2-161-168.37.4110.5E637 E638 L643 R644 I645E637-R641 WeakPolarHBondContact O-CB 3.29Å; E637-R641 WeakPolarHBondContact O-CG 3.31Å; E637-R641 PolarHBondContact O-N 3Å; E637-R641 IonicContact OE2-CZ 2.67Å; E637-R641 IonicContact OE2-NE 3.14Å; E637-R641 IonicContact OE2-NH2 2.69Å; E637-R641 PolarHBondContact OE2-NH2 2.76Å; E638-R641 PolarHBondContact O-N 2.94Å; R641-L643 VanDerWaalsContact C-N 3.35Å; R641-L643 PolarHBondContact O-N 3.31Å; R641-R644 CarbonylContact O-C 3.58Å; R641-R644 PolarHBondContact O-N 2.89Å; R641-I645 WeakPolarHBondContact O-CD1 3.43Å; R641-I645 WeakPolarHBondContact O-CG1 3.35Å; R641-I645 PolarHBondContact O-N 2.75Å
642A88.2Confident86.8Confident44 Ų44127.9 Ų127.936%0.36457%0.574SS.*Hα-helixtrans-63-37.3175.600000112.9E638 Y639 I645 R646E638-A642 WeakPolarHBondContact O-CB 3.37Å; E638-A642 PolarHBondContact O-N 3.38Å; Y639-A642 PolarHBondContact O-N 2.78Å; A642-I645 PolarHBondContact O-N 2.92Å; A642-R646 WeakPolarHBondContact O-CG 3.4Å; A642-R646 PolarHBondContact O-N 3.03Å
643L87Confident86.5Confident67 Ų67132.5 Ų132.535%0.35158%0.58SS.*Hα-helixtrans-65-41.6172.5-74.1172.2000112.2Y639 Q640 R641 I645 R646 H647Y639-L643 HydrophobicContact CD1-CD1 3.92Å; Y639-L643 HydrophobicContact CE1-CD1 3.59Å; Y639-L643 HydrophobicContact CE1-CG 4.23Å; Y639-L643 WeakPolarHBondContact O-CG 3.43Å; Y639-L643 PolarHBondContact O-N 2.84Å; Q640-L643 PolarHBondContact O-N 2.81Å; R641-L643 VanDerWaalsContact C-N 3.35Å; R641-L643 PolarHBondContact O-N 3.31Å; L643-I645 PolarHBondContact O-N 3.11Å; L643-I645 VanDerWaalsContact O-N 3.15Å; L643-R646 PolarHBondContact O-N 3.22Å; L643-R646 VanDerWaalsContact O-N 3.07Å; L643-H647 PolarHBondContact O-N 3.42Å
644R82.6Confident86.1Confident188 Ų188130.6 Ų130.671%0.70958%0.578SS**THydrogen-bonded Turntrans-712.9174.3-67.2178-170.2-178.95.9115Q640 R641Q640-R644 WeakPolarHBondContact O-CG 3.23Å; Q640-R644 PolarHBondContact O-N 3.39Å; Q640-R644 VanDerWaalsContact O-N 3.09Å; R641-R644 CarbonylContact O-C 3.58Å; R641-R644 PolarHBondContact O-N 2.89Å
645I83.1Confident85.5Confident144 Ų144132.2 Ų132.274%0.73858%0.584SS**THydrogen-bonded Turntrans-110.4-11.2172.7-66.8164000110.4R641 A642 L643R641-I645 WeakPolarHBondContact O-CD1 3.43Å; R641-I645 WeakPolarHBondContact O-CG1 3.35Å; R641-I645 PolarHBondContact O-N 2.75Å; A642-I645 PolarHBondContact O-N 2.92Å; L643-I645 PolarHBondContact O-N 3.11Å; L643-I645 VanDerWaalsContact O-N 3.15Å
646R69.4Low84.9Confident207 Ų207129 Ų12978%0.78158%0.578SS**THydrogen-bonded Turntrans-104.6-6.3177.8-69.6179.5174.9-164.3-1.9113.7A642 L643A642-R646 WeakPolarHBondContact O-CG 3.4Å; A642-R646 PolarHBondContact O-N 3.03Å; L643-R646 PolarHBondContact O-N 3.22Å; L643-R646 VanDerWaalsContact O-N 3.07Å
647H56.6Low84.1Confident207 Ų207131.7 Ų131.796%0.95858%0.584SS**  trans-140.70177.3-61.8-51000109L643L643-H647 PolarHBondContact O-N 3.42Å

Retrieved 647 of 647 residues in 200.3 ms (Link to these results)