A0A3Q0KN70_SCHMA Loading...

Nucleolar and spindle-associated protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KN70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 362 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
1M51.8Low86.5Confident231 Ų23196.5 Ų96.5100%1.13851%0.513SS*.  0107.40-66.7-159.1-157.500107.4V3M1-V3 PolarHBondContact O-N 3.08Å
2T72.1Confident87.2Confident125 Ų12593.5 Ų93.577%0.76749%0.494SS*.  trans-75.8112.7176.743.90000108.1D4T2-D4 PolarHBondContact O-N 3.32Å
3V79.7Confident87.9Confident65 Ų6586.4 Ų86.439%0.39446%0.456SS..  trans-82.8110.3177.8179.10000107.6M1 V5 L8 L16M1-V3 PolarHBondContact O-N 3.08Å; V3-V5 PolarHBondContact O-N 2.98Å; V3-L8 HydrophobicContact CG1-CD1 3.99Å; V3-L16 HydrophobicContact CG1-CD1 4Å
4D90.5Very high88.5Confident86 Ų8684.1 Ų84.146%0.4644%0.442SS..  trans-69.497.6172.9177.116.6000110.4T2 D6 S7 L8T2-D4 PolarHBondContact O-N 3.32Å; D4-D6 PolarHBondContact O-N 3.47Å; D4-D6 PolarHBondContact OD1-N 3Å; D4-S7 VanDerWaalsContact OD2-CB 3.26Å; D4-S7 WeakPolarHBondContact OD2-CB 3.37Å; D4-S7 PolarHBondContact OD2-OG 2.83Å; D4-L8 WeakPolarHBondContact O-CG 3.47Å
5V92.4Very high89Confident5 Ų591.5 Ų91.53%0.0346%0.461CS..SBendtrans-64.1-24.9-178-177.50000112.3V3 L13 K32 L35 K36 L39V3-V5 PolarHBondContact O-N 2.98Å; V5-L13 HydrophobicContact CG1-CD2 3.87Å; V5-K32 HydrophobicContact CG1-CB 4.18Å; V5-K32 HydrophobicContact CG1-CG 4.11Å; V5-L35 HydrophobicContact CG1-CB 4.01Å; V5-L35 HydrophobicContact CG2-CB 4.47Å; V5-K36 HydrophobicContact CB-CG 4.24Å; V5-K36 HydrophobicContact CG1-CG 4.45Å; V5-K36 HydrophobicContact CG2-CG 4.31Å; V5-L39 HydrophobicContact CG2-CD1 3.37Å
6D92.1Very high89.3Confident74 Ų7488.3 Ų88.340%0.39645%0.446SS..SBendtrans-78.3-30.2-174-71.2-33000112.7D4 K32 K36D4-D6 PolarHBondContact O-N 3.47Å; D4-D6 PolarHBondContact OD1-N 3Å; D6-K32 PolarHBondContact O-NZ 2.96Å; D6-K36 IonicContact OD1-NZ 3.18Å; D6-K36 PolarHBondContact OD1-NZ 2.98Å; D6-K36 WeakPolarHBondContact OD2-CE 3.15Å; D6-K36 IonicContact OD2-NZ 2.61Å; D6-K36 PolarHBondContact OD2-NZ 3.12Å
7S93Very high89.6Confident93 Ų9383.1 Ų83.165%0.6542%0.419SS*.SBendtrans-82-9.7179.5-65.10000114.3D4D4-S7 VanDerWaalsContact OD2-CB 3.26Å; D4-S7 WeakPolarHBondContact OD2-CB 3.37Å; D4-S7 PolarHBondContact OD2-OG 2.83Å
8L92.7Very high89.9Confident40 Ų4086.7 Ų86.721%0.20943%0.432CS..  trans-74.1140.1-175.7-65.9176.6000113.6V3 D4 E12 L13 L16V3-L8 HydrophobicContact CG1-CD1 3.99Å; D4-L8 WeakPolarHBondContact O-CG 3.47Å; L8-E12 HydrophobicContact CB-CB 4.21Å; L8-E12 HydrophobicContact CD2-CB 4.13Å; L8-L13 HydrophobicContact CB-CD2 3.97Å; L8-L13 HydrophobicContact CB-CG 3.98Å; L8-L13 HydrophobicContact CD1-CD2 4.12Å; L8-L16 HydrophobicContact CD1-CD1 3.24Å
9R95.5Very high90.1Very high176 Ų17690.4 Ų90.466%0.66445%0.45SS*.  trans-69.6155.7170.7-68-176.5-64.6172.4-3.9110.5A11 E12 L13R9-A11 PolarHBondContact O-N 3.18Å; R9-A11 VanDerWaalsContact O-N 3.11Å; R9-E12 IonicContact CZ-OE1 2.68Å; R9-E12 PolarHBondContact N-OE2 3.47Å; R9-E12 IonicContact NE-OE1 3.83Å; R9-E12 PolarHBondContact NE-OE1 3.33Å; R9-E12 IonicContact NH2-OE1 3.78Å; R9-E12 PolarHBondContact NH2-OE1 3.04Å; R9-E12 WeakPolarHBondContact O-CA 3.49Å; R9-E12 WeakPolarHBondContact O-CB 3.4Å; R9-E12 PolarHBondContact O-N 3.06Å; R9-L13 PolarHBondContact O-N 3.27Å
10Y96.5Very high90.2Very high102 Ų10289.2 Ų89.240%0.444%0.442SS..Hα-helixtrans-55.1-35.9-179.5-176.6-113.1000113.8E12 L13 Q14 K26 A28 L31Y10-E12 VanDerWaalsContact C-N 3.35Å; Y10-E12 PolarHBondContact O-N 3.03Å; Y10-L13 PolarHBondContact O-N 3.24Å; Y10-Q14 HydrophobicContact CE1-CG 4.17Å; Y10-Q14 HydrophobicContact CE2-CG 4.36Å; Y10-Q14 WeakPolarHBondContact O-CG 3.37Å; Y10-Q14 PolarHBondContact O-N 3.3Å; Y10-Q14 PolarHBondContact OH-NE2 3.06Å; Y10-K26 WeakPolarHBondContact CE2-O 3.33Å; Y10-K26 PolarHBondContact OH-O 3Å; Y10-A28 HydrophobicContact CD2-CB 3.71Å; Y10-A28 HydrophobicContact CE2-CB 4.17Å; Y10-L31 HydrophobicContact CD2-CD1 4.45Å; Y10-L31 HydrophobicContact CE2-CD1 3.86Å
11A95.6Very high90.3Very high64 Ų6488.4 Ų88.453%0.52946%0.458SS..Hα-helixtrans-65.4-36.1175.700000113R9 R15R9-A11 PolarHBondContact O-N 3.18Å; R9-A11 VanDerWaalsContact O-N 3.11Å; A11-R15 PolarHBondContact O-N 2.86Å; A11-R15 VanDerWaalsContact O-N 3.12Å
12E94.8Very high92.3Very high61 Ų6178.5 Ų78.529%0.28541%0.409SS..Hα-helixtrans-73.3-42.4176.5-70149.5-16000110.5L8 R9 Y10 Q14 R15 L16L8-E12 HydrophobicContact CB-CB 4.21Å; L8-E12 HydrophobicContact CD2-CB 4.13Å; R9-E12 IonicContact CZ-OE1 2.68Å; R9-E12 PolarHBondContact N-OE2 3.47Å; R9-E12 IonicContact NE-OE1 3.83Å; R9-E12 PolarHBondContact NE-OE1 3.33Å; R9-E12 IonicContact NH2-OE1 3.78Å; R9-E12 PolarHBondContact NH2-OE1 3.04Å; R9-E12 WeakPolarHBondContact O-CA 3.49Å; R9-E12 WeakPolarHBondContact O-CB 3.4Å; R9-E12 PolarHBondContact O-N 3.06Å; Y10-E12 VanDerWaalsContact C-N 3.35Å; Y10-E12 PolarHBondContact O-N 3.03Å; E12-Q14 VanDerWaalsContact C-N 3.28Å; E12-Q14 PolarHBondContact O-N 3.35Å; E12-R15 WeakPolarHBondContact O-CB 3.24Å; E12-R15 PolarHBondContact O-N 3.11Å; E12-L16 PolarHBondContact O-N 3.19Å
13L96.2Very high93.4Very high1 Ų180 Ų801%0.00541%0.405CS..Hα-helixtrans-56.1-42.4171.6-70.2172.7000111.8V5 L8 R9 Y10 A17 A28 L31 K32 L35V5-L13 HydrophobicContact CG1-CD2 3.87Å; L8-L13 HydrophobicContact CB-CD2 3.97Å; L8-L13 HydrophobicContact CB-CG 3.98Å; L8-L13 HydrophobicContact CD1-CD2 4.12Å; R9-L13 PolarHBondContact O-N 3.27Å; Y10-L13 PolarHBondContact O-N 3.24Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.49Å; L13-A28 HydrophobicContact CD1-CB 4.44Å; L13-L31 HydrophobicContact CB-CD1 4.38Å; L13-K32 HydrophobicContact CD1-CD 4.45Å; L13-K32 HydrophobicContact CD1-CG 3.81Å; L13-K32 HydrophobicContact CD2-CG 3.97Å; L13-L35 HydrophobicContact CD2-CD1 3.78Å
14Q96.3Very high94Very high55 Ų5577.6 Ų77.626%0.25739%0.391SS..Hα-helixtrans-66.5-37.1175.9-76-167.7-17.400113Y10 E12 K18 A24 L31Y10-Q14 HydrophobicContact CE1-CG 4.17Å; Y10-Q14 HydrophobicContact CE2-CG 4.36Å; Y10-Q14 WeakPolarHBondContact O-CG 3.37Å; Y10-Q14 PolarHBondContact O-N 3.3Å; Y10-Q14 PolarHBondContact OH-NE2 3.06Å; E12-Q14 VanDerWaalsContact C-N 3.28Å; E12-Q14 PolarHBondContact O-N 3.35Å; Q14-K18 WeakPolarHBondContact O-CG 3.45Å; Q14-K18 PolarHBondContact O-N 3.29Å; Q14-A24 HydrophobicContact CB-CB 4.14Å; Q14-A24 HydrophobicContact CG-CB 4.17Å; Q14-A24 WeakPolarHBondContact CG-O 3.41Å; Q14-A24 PolarHBondContact NE2-O 3.5Å; Q14-L31 HydrophobicContact CG-CD1 4.18Å
15R95.3Very high94.2Very high195 Ų19579.7 Ų79.774%0.73640%0.403SS*.Hα-helixtrans-65-49.9175.6-81.6-178.6165.7-176.2-4.3110.8A11 E12 A17 K18 M19A11-R15 PolarHBondContact O-N 2.86Å; A11-R15 VanDerWaalsContact O-N 3.12Å; E12-R15 WeakPolarHBondContact O-CB 3.24Å; E12-R15 PolarHBondContact O-N 3.11Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.23Å; R15-K18 PolarHBondContact O-N 3.49Å; R15-M19 WeakPolarHBondContact O-CG 3.28Å; R15-M19 PolarHBondContact O-N 3.09Å
16L93.7Very high94.3Very high40 Ų4081.8 Ų81.821%0.20941%0.412CS..Hα-helixtrans-60.2-43.9175.2-74.9177.2000111.8V3 L8 E12 K18 M19 H20 L35V3-L16 HydrophobicContact CG1-CD1 4Å; L8-L16 HydrophobicContact CD1-CD1 3.24Å; E12-L16 PolarHBondContact O-N 3.19Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.93Å; L16-M19 WeakPolarHBondContact O-CB 3.41Å; L16-M19 PolarHBondContact O-N 2.88Å; L16-M19 VanDerWaalsContact O-N 3.08Å; L16-H20 PolarHBondContact O-CD2 2.92Å; L16-H20 VanDerWaalsContact O-CD2 3.24Å; L16-H20 PolarHBondContact O-N 2.89Å; L16-L35 HydrophobicContact CB-CD1 4.09Å; L16-L35 HydrophobicContact CB-CD2 4.01Å
17A95.2Very high94.4Very high0 Ų086.1 Ų86.10%043%0.427CS..Hα-helixtrans-56.1-44.5176.200000111.9L13 R15 H20 G21 I22 A24 L31L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.49Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.23Å; A17-H20 CarbonylContact O-C 3.52Å; A17-H20 PolarHBondContact O-N 3.41Å; A17-G21 PolarHBondContact O-N 2.93Å; A17-G21 VanDerWaalsContact O-N 3.16Å; A17-I22 CarbonylContact C-O 3.51Å; A17-I22 HydrophobicContact CB-CB 3.97Å; A17-I22 HydrophobicContact CB-CG2 4.43Å; A17-I22 WeakPolarHBondContact O-CA 3.41Å; A17-I22 WeakPolarHBondContact O-CB 3.46Å; A17-I22 PolarHBondContact O-N 3.25Å; A17-A24 HydrophobicContact CB-CB 4.25Å; A17-L31 HydrophobicContact CB-CD2 3.86Å
18K95.7Very high94.5Very high147 Ų14783.6 Ų83.664%0.63941%0.412SS*.Hα-helixtrans-64.6-39.9175.5-72.8176.3-177.5-179.60112.5Q14 R15 L16 H20 G21 A24Q14-K18 WeakPolarHBondContact O-CG 3.45Å; Q14-K18 PolarHBondContact O-N 3.29Å; R15-K18 PolarHBondContact O-N 3.49Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.93Å; K18-H20 VanDerWaalsContact C-N 3.31Å; K18-H20 PolarHBondContact O-N 3.48Å; K18-G21 PolarHBondContact O-N 3.41Å; K18-A24 HydrophobicContact CD-CB 4.5Å; K18-A24 HydrophobicContact CG-CB 3.87Å
19M92.7Very high94.6Very high158 Ų15885.5 Ų85.578%0.77843%0.428SS*.Hα-helixtrans-61.3-38.7176.7-71.6-62.4-59.600112.1R15 L16R15-M19 WeakPolarHBondContact O-CG 3.28Å; R15-M19 PolarHBondContact O-N 3.09Å; L16-M19 WeakPolarHBondContact O-CB 3.41Å; L16-M19 PolarHBondContact O-N 2.88Å; L16-M19 VanDerWaalsContact O-N 3.08Å
20H91.4Very high94.6Very high65 Ų6580.7 Ų80.730%0.30141%0.413SS..THydrogen-bonded Turntrans-92.714.7178-65.5-80.8000114L16 A17 K18 I22 L38 Q42L16-H20 PolarHBondContact O-CD2 2.92Å; L16-H20 VanDerWaalsContact O-CD2 3.24Å; L16-H20 PolarHBondContact O-N 2.89Å; A17-H20 CarbonylContact O-C 3.52Å; A17-H20 PolarHBondContact O-N 3.41Å; K18-H20 VanDerWaalsContact C-N 3.31Å; K18-H20 PolarHBondContact O-N 3.48Å; H20-I22 VanDerWaalsContact C-N 3.27Å; H20-I22 HydrophobicContact CB-CD1 4.37Å; H20-I22 HydrophobicContact CB-CG1 4.34Å; H20-I22 PolarHBondContact O-N 3.34Å; H20-L38 HydrophobicContact CB-CD1 4.25Å; H20-Q42 PolarHBondContact CE1-OE1 3.12Å
21G93.3Very high94.6Very high74 Ų7475.9 Ų75.976%0.76339%0.394SS*.THydrogen-bonded Turntrans70.614.5176.800000115.8A17 K18A17-G21 PolarHBondContact O-N 2.93Å; A17-G21 VanDerWaalsContact O-N 3.16Å; K18-G21 PolarHBondContact O-N 3.41Å
22I92.9Very high94.6Very high22 Ų2275.5 Ų75.511%0.11338%0.381CS..  trans-84.1137.6176.7-49.2168.6000109.8A17 H20 A24 L31 K34 L35 L38A17-I22 CarbonylContact C-O 3.51Å; A17-I22 HydrophobicContact CB-CB 3.97Å; A17-I22 HydrophobicContact CB-CG2 4.43Å; A17-I22 WeakPolarHBondContact O-CA 3.41Å; A17-I22 WeakPolarHBondContact O-CB 3.46Å; A17-I22 PolarHBondContact O-N 3.25Å; H20-I22 VanDerWaalsContact C-N 3.27Å; H20-I22 HydrophobicContact CB-CD1 4.37Å; H20-I22 HydrophobicContact CB-CG1 4.34Å; H20-I22 PolarHBondContact O-N 3.34Å; I22-A24 PolarHBondContact O-N 3.3Å; I22-L31 HydrophobicContact CG2-CD2 4.17Å; I22-K34 HydrophobicContact CD1-CB 4.11Å; I22-K34 HydrophobicContact CG2-CB 4.47Å; I22-K34 HydrophobicContact CG2-CD 3.89Å; I22-L35 HydrophobicContact CD1-CD2 3.61Å; I22-L35 HydrophobicContact CD1-CG 3.89Å; I22-L38 HydrophobicContact CD1-CD1 3.37Å; I22-L38 HydrophobicContact CG1-CD1 3.6Å
23K95.5Very high94.6Very high158 Ų15879.9 Ų79.969%0.68740%0.399SS*.  trans-57.7108.8170.6-71.1-174.9179.4177.30110.9N25 K26K23-N25 VanDerWaalsContact C-N 3.26Å; K23-N25 PolarHBondContact O-N 3.18Å; K23-K26 WeakPolarHBondContact O-CD 3.26Å; K23-K26 WeakPolarHBondContact O-CG 3.1Å
24A92.9Very high94.5Very high13 Ų1383.5 Ų83.511%0.10741%0.414CS..THydrogen-bonded Turntrans-75.7-3.6-17500000115.3Q14 A17 K18 I22 K26Q14-A24 HydrophobicContact CB-CB 4.14Å; Q14-A24 HydrophobicContact CG-CB 4.17Å; Q14-A24 WeakPolarHBondContact CG-O 3.41Å; Q14-A24 PolarHBondContact NE2-O 3.5Å; A17-A24 HydrophobicContact CB-CB 4.25Å; K18-A24 HydrophobicContact CD-CB 4.5Å; K18-A24 HydrophobicContact CG-CB 3.87Å; I22-A24 PolarHBondContact O-N 3.3Å; A24-K26 PolarHBondContact O-N 3.37Å
25N93.7Very high94.4Very high131 Ų13180.9 Ų80.970%0.70140%0.402SS*.THydrogen-bonded Turntrans-87.323-179.967.1-23.2000113.6K23K23-N25 VanDerWaalsContact C-N 3.26Å; K23-N25 PolarHBondContact O-N 3.18Å
26K94.4Very high94.3Very high49 Ų4975.9 Ų75.921%0.21339%0.386CS..SBendtrans-97160-178.7-70.9171.6174.2-80.40111.3Y10 K23 A24 E30 L31 K34Y10-K26 WeakPolarHBondContact CE2-O 3.33Å; Y10-K26 PolarHBondContact OH-O 3Å; K23-K26 WeakPolarHBondContact O-CD 3.26Å; K23-K26 WeakPolarHBondContact O-CG 3.1Å; A24-K26 PolarHBondContact O-N 3.37Å; K26-E30 HydrophobicContact CB-CB 4.37Å; K26-E30 HydrophobicContact CD-CG 4.44Å; K26-E30 IonicContact NZ-OE1 2.61Å; K26-E30 PolarHBondContact NZ-OE1 3.21Å; K26-E30 IonicContact NZ-OE2 3.64Å; K26-L31 HydrophobicContact CB-CD2 3.89Å; K26-L31 HydrophobicContact CB-CG 3.96Å; K26-L31 HydrophobicContact CD-CD2 4.36Å; K26-K34 HydrophobicContact CD-CD 4.05Å
27K95.9Very high94.2Very high165 Ų16578.9 Ų78.972%0.71740%0.401SS*.  trans-60.1149.2173.5-68.1-176.8179.3179.30110.2S29 E30 L31K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 3.48Å; K27-E30 PolarHBondContact O-N 3.19Å; K27-L31 PolarHBondContact O-N 3.49Å
28A94.8Very high94Very high40 Ų4081.9 Ų81.933%0.33142%0.417SS..Hα-helixtrans-53.7-43.3-17700000113.2Y10 L13 E30 L31 K32Y10-A28 HydrophobicContact CD2-CB 3.71Å; Y10-A28 HydrophobicContact CE2-CB 4.17Å; L13-A28 HydrophobicContact CD1-CB 4.44Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 3.19Å; A28-L31 PolarHBondContact O-N 2.95Å; A28-K32 WeakPolarHBondContact O-CG 3.43Å; A28-K32 PolarHBondContact O-N 3.13Å
29S95.3Very high93.5Very high79 Ų7976.3 Ų76.355%0.55239%0.394SS*.Hα-helixtrans-61.9-37177.953.50000113.2K27 K33K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 3.48Å; S29-K33 WeakPolarHBondContact O-CG 3.35Å; S29-K33 PolarHBondContact O-N 3.13Å
30E95.5Very high93.1Very high76 Ų7671.9 Ų71.936%0.35538%0.378SS..Hα-helixtrans-73.2-37.9178-160.6-166.9160.500111.6K26 K27 A28 K34K26-E30 HydrophobicContact CB-CB 4.37Å; K26-E30 HydrophobicContact CD-CG 4.44Å; K26-E30 IonicContact NZ-OE1 2.61Å; K26-E30 PolarHBondContact NZ-OE1 3.21Å; K26-E30 IonicContact NZ-OE2 3.64Å; K27-E30 PolarHBondContact O-N 3.19Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 3.19Å; E30-K34 WeakPolarHBondContact O-CG 3.46Å; E30-K34 PolarHBondContact O-N 3.18Å; E30-K34 VanDerWaalsContact O-N 3.12Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å
31L96.1Very high92.7Very high0 Ų073.7 Ų73.70%039%0.389CS..Hα-helixtrans-62.8-45.7173.8-71.2178.5000111.4Y10 L13 Q14 A17 I22 K26 K27 A28 K33 K34 L35Y10-L31 HydrophobicContact CD2-CD1 4.45Å; Y10-L31 HydrophobicContact CE2-CD1 3.86Å; L13-L31 HydrophobicContact CB-CD1 4.38Å; Q14-L31 HydrophobicContact CG-CD1 4.18Å; A17-L31 HydrophobicContact CB-CD2 3.86Å; I22-L31 HydrophobicContact CG2-CD2 4.17Å; K26-L31 HydrophobicContact CB-CD2 3.89Å; K26-L31 HydrophobicContact CB-CG 3.96Å; K26-L31 HydrophobicContact CD-CD2 4.36Å; K27-L31 PolarHBondContact O-N 3.49Å; A28-L31 PolarHBondContact O-N 2.95Å; L31-K33 PolarHBondContact O-N 3.4Å; L31-K34 PolarHBondContact O-N 3.07Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 2.75Å
32K95.4Very high91.8Very high56 Ų5675.4 Ų75.424%0.24338%0.377CS..Hα-helixtrans-57-48177.2-73.2-175.6169.5-165.70112.1V5 D6 L13 A28 K34 L35 K36V5-K32 HydrophobicContact CG1-CB 4.18Å; V5-K32 HydrophobicContact CG1-CG 4.11Å; D6-K32 PolarHBondContact O-NZ 2.96Å; L13-K32 HydrophobicContact CD1-CD 4.45Å; L13-K32 HydrophobicContact CD1-CG 3.81Å; L13-K32 HydrophobicContact CD2-CG 3.97Å; A28-K32 WeakPolarHBondContact O-CG 3.43Å; A28-K32 PolarHBondContact O-N 3.13Å; K32-K34 PolarHBondContact O-N 3.27Å; K32-L35 PolarHBondContact O-N 2.87Å; K32-K36 WeakPolarHBondContact O-CB 3.48Å; K32-K36 PolarHBondContact O-N 3.4Å
33K94.9Very high90.6Very high154 Ų15479.6 Ų79.667%0.6740%0.396SS*.Hα-helixtrans-58.4-48.5177.3-73.8-176.5178.8-169.40112.1S29 L31 I37S29-K33 WeakPolarHBondContact O-CG 3.35Å; S29-K33 PolarHBondContact O-N 3.13Å; L31-K33 PolarHBondContact O-N 3.4Å; K33-I37 WeakPolarHBondContact O-CG1 3.44Å; K33-I37 PolarHBondContact O-N 3.23Å
34K94.5Very high88.9Confident76 Ų7680.2 Ų80.233%0.3340%0.399SS..Hα-helixtrans-66.4-40.3-179.3-72.1173.4179-83.50112.6I22 K26 E30 L31 K32 I37 L38I22-K34 HydrophobicContact CD1-CB 4.11Å; I22-K34 HydrophobicContact CG2-CB 4.47Å; I22-K34 HydrophobicContact CG2-CD 3.89Å; K26-K34 HydrophobicContact CD-CD 4.05Å; E30-K34 WeakPolarHBondContact O-CG 3.46Å; E30-K34 PolarHBondContact O-N 3.18Å; E30-K34 VanDerWaalsContact O-N 3.12Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å; L31-K34 PolarHBondContact O-N 3.07Å; K32-K34 PolarHBondContact O-N 3.27Å; K34-I37 PolarHBondContact O-N 3.47Å; K34-L38 PolarHBondContact O-N 3.4Å; K34-L38 VanDerWaalsContact O-N 3.12Å
35L94.2Very high87.1Confident0 Ų082.7 Ų82.70%043%0.425CS..Hα-helixtrans-67.3-41.9178-76.8167.9000111.8V5 L13 L16 I22 L31 K32 I37 L38 L39V5-L35 HydrophobicContact CG1-CB 4.01Å; V5-L35 HydrophobicContact CG2-CB 4.47Å; L13-L35 HydrophobicContact CD2-CD1 3.78Å; L16-L35 HydrophobicContact CB-CD1 4.09Å; L16-L35 HydrophobicContact CB-CD2 4.01Å; I22-L35 HydrophobicContact CD1-CD2 3.61Å; I22-L35 HydrophobicContact CD1-CG 3.89Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 2.75Å; K32-L35 PolarHBondContact O-N 2.87Å; L35-I37 PolarHBondContact O-N 2.93Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.39Å
36K93.1Very high85.3Confident90 Ų9081.1 Ų81.139%0.39143%0.425SS..Hα-helixtrans-56.7-48.2173.3-86.7-178.4171.7176.40111.8V5 D6 K32 L38 L39 C40V5-K36 HydrophobicContact CB-CG 4.24Å; V5-K36 HydrophobicContact CG1-CG 4.45Å; V5-K36 HydrophobicContact CG2-CG 4.31Å; D6-K36 IonicContact OD1-NZ 3.18Å; D6-K36 PolarHBondContact OD1-NZ 2.98Å; D6-K36 WeakPolarHBondContact OD2-CE 3.15Å; D6-K36 IonicContact OD2-NZ 2.61Å; D6-K36 PolarHBondContact OD2-NZ 3.12Å; K32-K36 WeakPolarHBondContact O-CB 3.48Å; K32-K36 PolarHBondContact O-N 3.4Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.12Å; K36-L39 PolarHBondContact O-N 3.47Å; K36-C40 WeakPolarHBondContact O-CB 3.32Å; K36-C40 PolarHBondContact O-N 2.92Å; K36-C40 PolarHBondContact O-SG 3.18Å
37I91.6Very high83.1Confident104 Ų10484.8 Ų84.853%0.53345%0.451SS..Hα-helixtrans-58.2-46.1178-66.4164.1000111.1K33 K34 L35 C40 I41K33-I37 WeakPolarHBondContact O-CG1 3.44Å; K33-I37 PolarHBondContact O-N 3.23Å; K34-I37 PolarHBondContact O-N 3.47Å; L35-I37 PolarHBondContact O-N 2.93Å; I37-C40 PolarHBondContact O-N 2.89Å; I37-I41 HydrophobicContact CG2-CD1 3.81Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.37Å; I37-I41 PolarHBondContact O-N 3.3Å
38L89Confident80.4Confident63 Ų6379.9 Ų79.933%0.3345%0.448SS..Hα-helixtrans-69.4-39.9-178.2-77.8165.4000113.3H20 I22 K34 L35 K36 I41 Q42H20-L38 HydrophobicContact CB-CD1 4.25Å; I22-L38 HydrophobicContact CD1-CD1 3.37Å; I22-L38 HydrophobicContact CG1-CD1 3.6Å; K34-L38 PolarHBondContact O-N 3.4Å; K34-L38 VanDerWaalsContact O-N 3.12Å; L35-L38 PolarHBondContact O-N 3.27Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.12Å; L38-I41 PolarHBondContact O-N 3.12Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 PolarHBondContact O-N 2.61Å
39L87Confident77.7Confident30 Ų3084.6 Ų84.616%0.15747%0.473CS..Hα-helixtrans-66-41.1176-76.1161.4000110.9V5 L35 K36 I41 Q42 E43V5-L39 HydrophobicContact CG2-CD1 3.37Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.39Å; K36-L39 PolarHBondContact O-N 3.47Å; L39-I41 PolarHBondContact O-N 3.48Å; L39-Q42 PolarHBondContact O-N 3.48Å; L39-E43 WeakPolarHBondContact O-CG 3.45Å; L39-E43 PolarHBondContact O-N 3.3Å
40C84.3Confident75.5Confident64 Ų6490.1 Ų90.143%0.43249%0.49SS..Hα-helixtrans-58.8-48.6172.3-69.20000111.3K36 I37 Q42 E43 F44K36-C40 WeakPolarHBondContact O-CB 3.32Å; K36-C40 PolarHBondContact O-N 2.92Å; K36-C40 PolarHBondContact O-SG 3.18Å; I37-C40 PolarHBondContact O-N 2.89Å; C40-Q42 VanDerWaalsContact C-N 3.28Å; C40-Q42 PolarHBondContact O-N 3.23Å; C40-E43 PolarHBondContact O-N 3.48Å; C40-F44 WeakPolarHBondContact O-CD2 3.39Å; C40-F44 PolarHBondContact O-N 3.03Å
41I82.9Confident73Confident104 Ų10494.6 Ų94.653%0.53352%0.516SS..Hα-helixtrans-60.7-39.3178.4-67.1164.3000111.3I37 L38 L39 E43 F44 G45I37-I41 HydrophobicContact CG2-CD1 3.81Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.37Å; I37-I41 PolarHBondContact O-N 3.3Å; L38-I41 PolarHBondContact O-N 3.12Å; L39-I41 PolarHBondContact O-N 3.48Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-F44 PolarHBondContact O-N 2.94Å; I41-G45 PolarHBondContact O-N 2.93Å
42Q73.5Confident70.5Confident109 Ų10997.9 Ų97.951%0.50955%0.55SS..Hα-helixtrans-67.7-34.3179.7-172.5168.2-300112.4H20 L38 L39 C40 G45 S46H20-Q42 PolarHBondContact CE1-OE1 3.12Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 PolarHBondContact O-N 2.61Å; L39-Q42 PolarHBondContact O-N 3.48Å; C40-Q42 VanDerWaalsContact C-N 3.28Å; C40-Q42 PolarHBondContact O-N 3.23Å; Q42-G45 PolarHBondContact O-N 2.92Å; Q42-S46 WeakPolarHBondContact O-CB 3.37Å; Q42-S46 PolarHBondContact O-N 3.24Å
43E67Low67.8Low110 Ų110104 Ų10451%0.51458%0.579SS.*Hα-helixtrans-67.6-35.5174.2-73.1178.5174.400111.9L39 C40 I41L39-E43 WeakPolarHBondContact O-CG 3.45Å; L39-E43 PolarHBondContact O-N 3.3Å; C40-E43 PolarHBondContact O-N 3.48Å; I41-E43 VanDerWaalsContact C-N 3.34Å
44F60Low65.2Low171 Ų171103.1 Ų103.175%0.7559%0.587SS**Hα-helixtrans-79.9-24.6175.3-71.8-71.4000114.3C40 I41C40-F44 WeakPolarHBondContact O-CD2 3.39Å; C40-F44 PolarHBondContact O-N 3.03Å; I41-F44 PolarHBondContact O-N 2.94Å
45G56.5Low62.6Low65 Ų65103.4 Ų103.467%0.6760%0.604SS**Hα-helixtrans-87.3-8.3-177.800000115.4I41 Q42I41-G45 PolarHBondContact O-N 2.93Å; Q42-G45 PolarHBondContact O-N 2.92Å
46S55Low60.2Low99 Ų99110.8 Ų110.869%0.69264%0.642SS**SBendtrans-104.73.4-172-150.50000114.6Q42Q42-S46 WeakPolarHBondContact O-CB 3.37Å; Q42-S46 PolarHBondContact O-N 3.24Å
47T48Very low57.9Low125 Ų125111.1 Ų111.177%0.76766%0.656SS**  trans-105.571.9173.156.40000109.9
48G39.8Very low55.8Low63 Ų63114 Ų11465%0.64967%0.667SS**  trans-16033.3-17400000114.6
49T38.4Very low53.8Low138 Ų138116.1 Ų116.185%0.84769%0.687SS**SBendtrans-174.589.5165.122.20000107.6
50Q47.6Very low51.8Low196 Ų196120.2 Ų120.292%0.91671%0.713SS**  trans-169.8121138-76.9-134.4-6.400107.4
51N43Very low50.1Low170 Ų170125.5 Ų125.591%0.90973%0.732SS**  trans-75.2152.9174.7-58.9-35.3000110
52G43.5Very low48.5Very low68 Ų68125.8 Ų125.870%0.70174%0.743SS**  trans112.986.2169.500000111.7
53E39.8Very low47.5Very low184 Ų184129.7 Ų129.786%0.8676%0.758SS**  75.797.592.8-168174.7-168.200111.6
54T40.1Very low46.6Very low136 Ų136133.4 Ų133.483%0.83478%0.776SS**  167.3131.7117.2-53.30000109.1
55A40.2Very low46.1Very low82 Ų82130.8 Ų130.868%0.67878%0.779SS**  trans-64.8154.3-176.500000114.7
56L42.7Very low45.6Very low155 Ų155132.6 Ų132.681%0.81278%0.781SS**  172.4126.1111.9-94.6156.4000111.5
57S46Very low45.5Very low98 Ų98137.7 Ų137.769%0.68579%0.791SS**  trans50.6139134.2-80.90000120.3
58E46.7Very low45.4Very low165 Ų165140.5 Ų140.577%0.77179%0.793SS**  cis-178.6158.36.2-156.2170.9162.700107
59S47Very low45.5Very low107 Ų107142.6 Ų142.675%0.74880%0.797SS**  trans81.8136.2147.890.70000116.2
60V45.9Very low46.2Very low116 Ų116142.1 Ų142.170%0.70379%0.794SS**  cis-156.713914.2168.60000109.3
61E47.5Very low46.1Very low175 Ų175139.7 Ų139.782%0.81879%0.788SS**  trans16.3132.4149.1-55.5173133.400122.4
62S50.8Low46.4Very low110 Ų110141.3 Ų141.377%0.76979%0.787SS**  -174.2127.2104.834.50000114.8
63K51.1Low46.6Very low190 Ų190143.4 Ų143.483%0.82679%0.788SS**  trans70.997.5141.9-65.3-176.5177.5-178.40121.2
64E48.7Very low47.1Very low189 Ų189144.2 Ų144.288%0.88379%0.788SS**  43.9112.4115.8-70.5179.8140.400119.4
65S49.4Very low47.4Very low116 Ų116145.3 Ų145.381%0.81179%0.788SS**  trans-160.4102.2142.4174.10000109
66S46.5Very low48.1Very low103 Ų103147.3 Ų147.372%0.7279%0.794SS**  trans-94.9125.9-178.4147.20000110.2
67F53.1Low48.3Very low205 Ų205144.6 Ų144.690%0.89979%0.794SS**  trans-134.6107.1154-89.5-82.9000110
68K45.2Very low48.4Very low185 Ų185143.7 Ų143.780%0.80480%0.8SS**  trans-59.1127.1163.4-95177.2169.71790109.5
69S43.2Very low48.5Very low106 Ų106143.3 Ų143.374%0.74180%0.803SS**  63.8116.794.7-61.10000115.2
70T52.4Low48.7Very low128 Ų128147.7 Ų147.779%0.78581%0.812SS**  trans-166.1122.8132.7300000110.9
71D45.3Very low48.9Very low146 Ų146150.1 Ų150.178%0.78182%0.816SS**  trans67.6109.4134.7-56.9-22.9000122.4
72K50.3Low49.4Very low204 Ų204149.7 Ų149.789%0.88782%0.819SS**  trans-95.4146.1133.6-70.6-174.8176.6-177.90107.6
73P46.9Very low49.6Very low112 Ų112152.7 Ų152.773%0.72782%0.818SS**  -150.5164.5106.436.5-19000116.4
74K50Low49.7Very low201 Ų201150.5 Ų150.587%0.87481%0.811SS**  trans80.1117144-116.2166176.3173.50121.2
75L47.2Very low49.9Very low159 Ų159147.7 Ų147.783%0.83280%0.802SS**  trans-69.4162151.6-69.9164000110.3
76P55.3Low49.6Very low124 Ų124149.6 Ų149.681%0.80580%0.803SS**  -140.8164.7104.735.5-20.4000114.8
77A46Very low49.5Very low97 Ų97147.8 Ų147.880%0.80280%0.801SS**  trans-60.8148.1175.100000113.1
78G47.4Very low49.3Very low79 Ų79146.6 Ų146.681%0.81480%0.802SS**  trans-134.4108.9166.900000108.8
79D48.7Very low49Very low157 Ų157144.5 Ų144.584%0.8481%0.805SS**  trans-68.4140.7168-64.3-48.9000110.3
80Q50.8Low49Very low200 Ų200145 Ų14594%0.93581%0.808SS**  trans-158.1116.5139.1-123.9176.3-2.200111.4
81E52Low48.6Very low166 Ų166145.2 Ų145.278%0.77681%0.81SS**  trans-56.9153.7167.9-61.1174.1128.700111.5
82N57.3Low48.6Very low166 Ų166143.4 Ų143.489%0.88881%0.806SS**  trans-159.8115.6133.6-83-32000109.3
83K54.1Low48.4Very low173 Ų173142.2 Ų142.275%0.75280%0.801SS**  trans-58.4161.7159.7-64.8174.6171177.20109.1
84E54.7Low48.5Very low144 Ų144143.1 Ų143.167%0.67380%0.8SS**  166.8135.353.3-135.4165.1-142.200101.5
85N51.3Low48.5Very low130 Ų130140.6 Ų140.670%0.69580%0.796SS**  165.5152.890.3-89.3-42.4000109.6
86D43.9Very low48.4Very low156 Ų156140.8 Ų140.883%0.83480%0.797SS**  trans-48.2148.8175.4-52-66.2000113.7
87G44.4Very low48Very low65 Ų65144.3 Ų144.367%0.6780%0.803SS**  99.110253.200000109.3
88I48Very low48Very low181 Ų181143.6 Ų143.693%0.92880%0.797SS**  trans-178.4146.5146.840.7172.9000111.6
89T39.3Very low48Very low140 Ų140145 Ų14586%0.85979%0.794SS**  trans-91.9133.5-174.2-23.10000111
90S44.6Very low47.9Very low116 Ų116143.4 Ų143.481%0.81179%0.794SS**  trans179.6117.3148.342.70000111.8
91T42.4Very low47.5Very low134 Ų134139.3 Ų139.382%0.82278%0.783SS**  trans-74.7-179.1155.249.80000109.6
92P47Very low47.4Very low108 Ų108139.4 Ų139.470%0.70179%0.788SS**  cis-132.2166.9-11.833-14000114
93K45.5Very low46.9Very low178 Ų178138.1 Ų138.177%0.77478%0.781SS**  157123.7128.1-88.2178-179.8176.40112.4
94D48.2Very low46.4Very low132 Ų132140.7 Ų140.771%0.70679%0.786SS**  trans64.7133.4139.7-50.3-29.6000121.1
95D50.3Low45.8Very low148 Ų148139.3 Ų139.379%0.79179%0.787SS**  trans98.5103.9155.6-52.9-25.8000120.1
96D45.7Very low45.7Very low162 Ų162143.6 Ų143.687%0.86680%0.795SS**  trans68.575.4146.1-61.9-22.6000121.4
97E46Very low46Very low198 Ų198144.9 Ų144.993%0.92580%0.796SS**  trans-84.2147148.3-92.6-173164.500109.7
98A46.1Very low46.3Very low82 Ų82149 Ų14968%0.67880%0.802SS**  cis-158.5139.912.200000109.4C100A98-C100 PolarHBondContact O-N 2.96Å
99S47.6Very low46.5Very low108 Ų108146.1 Ų146.176%0.75580%0.798SS**  trans-58.3125.2159.655.80000111.5
100C47.4Very low47.2Very low124 Ų124144.1 Ų144.184%0.83879%0.79SS**  trans-119.596.3154.1-90.90000108.4A98 L102A98-C100 PolarHBondContact O-N 2.96Å; C100-L102 PolarHBondContact O-N 3.37Å
101V42.9Very low48Very low115 Ų115144.5 Ų144.570%0.69779%0.789SS**  trans-59.9112.6171.6175.80000109.6
102L49.3Very low48Very low168 Ų168146 Ų14688%0.8879%0.791SS**  trans-121.585.9163.9-97.5165.3000109C100 R104C100-L102 PolarHBondContact O-N 3.37Å; L102-R104 PolarHBondContact O-N 3.46Å
103N45.7Very low47.9Very low138 Ų138147 Ų14774%0.73880%0.796SS**  trans-72.9115.3163.8-76.7-35.2000109.7
104R44.9Very low47.6Very low227 Ų227144.2 Ų144.286%0.85780%0.797SS**  170.5103.5127.2-96.3173.2174.2164.2-0.3113L102L102-R104 PolarHBondContact O-N 3.46Å
105T41.3Very low47.1Very low115 Ų115142.6 Ų142.671%0.70680%0.795SS**  57.795125.6-31.20000118.4
106Y50Low46.9Very low220 Ų220145.2 Ų145.286%0.86380%0.799SS**  trans-137.8101.5143-82.6-80.3000108.8L108Y106-L108 PolarHBondContact O-N 3.24Å
107E50.2Low46.9Very low184 Ų184145.2 Ų145.286%0.8679%0.794SS**  trans-65.1107.7163.4-73.9-101.8154.400108.4
108L50.3Low46.6Very low152 Ų152142.3 Ų142.380%0.79679%0.785SS**  trans-102.696.5164.9-76.8171000107.9Y106 S110Y106-L108 PolarHBondContact O-N 3.24Å; L108-S110 PolarHBondContact O-N 3.34Å
109S51.4Low46.4Very low119 Ų119144.9 Ų144.983%0.83279%0.792SS**  trans-62.7114.4167.9-168.30000109.1
110S55Low46.2Very low98 Ų98146.9 Ų146.969%0.68579%0.793SS**  trans-87.3134.8176.5-61.90000109.7L108L108-S110 PolarHBondContact O-N 3.34Å
111P60.1Low46Very low124 Ų124149.3 Ų149.381%0.80579%0.792SS**  trans-77125.8165.5-3.220.1000109.5V113P111-V113 PolarHBondContact O-N 3.39Å
112L44.3Very low45.7Very low165 Ų165151.4 Ų151.486%0.86480%0.8SS**  trans-44.1132.1171.5-95.287.1000112.6
113V43.6Very low45.3Very low131 Ų131150.1 Ų150.179%0.79480%0.799SS**  trans-80.9122.1151.2174.40000106.7P111P111-V113 PolarHBondContact O-N 3.39Å
114C40.5Very low45Very low119 Ų119150.7 Ų150.780%0.80480%0.8SS**  trans-119.3110.8162.3-161.40000107.6
115C36.7Very low44.9Very low98 Ų98148.7 Ų148.766%0.66280%0.798SS**  trans-63.6151.8174.2-52.20000110.6
116K46Very low44.8Very low202 Ų202151.7 Ų151.788%0.87880%0.804SS**  -152.6147.7126-78.6-139.2176.1-171.60110.8
117E46.6Very low44.2Very low162 Ų162151.9 Ų151.976%0.75781%0.805SS**  trans-73.9160.1-161.1-80.3146.6146.800116.6
118D39.6Very low43.9Very low137 Ų137148.3 Ų148.373%0.73380%0.8SS**  trans55117.1139.2-56.2-17.3000120
119T41.3Very low43.3Very low136 Ų136149.8 Ų149.883%0.83480%0.803SS**  176.7138.7103.3-70.20000111.1
120I42.5Very low43.1Very low151 Ų151149.6 Ų149.677%0.77480%0.801SS**  trans-57.5135.2-179.6-55.1160.9000111.7
121Q44.1Very low42.3Very low174 Ų174155.9 Ų155.981%0.81381%0.81SS**  165.5130.6123.5-89.4-173.79.200112.3
122N37.1Very low41.7Very low160 Ų160159.5 Ų159.586%0.85681%0.813SS**  trans-54.5133.3165.8-80.4-33.8000111
123T40.5Very low41.6Very low141 Ų141158.7 Ų158.787%0.86581%0.809SS**  trans-159.3133.4138.38.90000112.5
124I38.9Very low41.8Very low149 Ų149157.3 Ų157.376%0.76481%0.805SS**  trans-61.8143.7170.8-72.8154.9000110.1
125K43.3Very low42Very low185 Ų185158.5 Ų158.580%0.80481%0.808SS**  trans104.9141.5160.8-76.7156.7-178.5-172.60118.3
126Q39.1Very low42.7Very low178 Ų178157.7 Ų157.783%0.83281%0.809SS**  trans9394.3149.2-81.3167.1-32.300119.1
127Y36.7Very low43.2Very low225 Ų225157.6 Ų157.688%0.88281%0.808SS**  -2.1124.7128.3-77.3-94.2000116.1
128S43.5Very low43.7Very low108 Ų108159.2 Ų159.276%0.75581%0.813SS**  trans-170.298134.9-72.80000106.3
129E39Very low44.4Very low184 Ų184158.4 Ų158.486%0.8682%0.815SS**  70.788.792.6-162.2159.2-136.700112.3
130S47.3Very low45Very low115 Ų115156.5 Ų156.580%0.80481%0.807SS**  trans-156.373152.129.90000108.7K132S130-K132 PolarHBondContact O-N 2.98Å
131R37.8Very low45.7Very low229 Ų229156.1 Ų156.186%0.86481%0.812SS**  trans-64.582161.9-75.5-179.1-175.6174.83.5109L133R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.26Å
132K47.2Very low46.6Very low200 Ų200152.5 Ų152.587%0.8780%0.801SS**  trans-84.987.2150.7-81.7-175.3177.9178.50107.3S130 S134S130-K132 PolarHBondContact O-N 2.98Å; K132-S134 PolarHBondContact O-N 2.76Å
133L42.3Very low47.6Very low148 Ų148154.5 Ų154.578%0.77580%0.802SS**  trans-65.178.2165.5-75.4161.3000108.1R131 V135R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.26Å; L133-V135 PolarHBondContact O-N 3.16Å
134S47.1Very low49.1Very low103 Ų103153.3 Ų153.372%0.7280%0.795SS**  trans-62.3118.5158.762.30000106.1K132 A136K132-S134 PolarHBondContact O-N 2.76Å; S134-A136 PolarHBondContact O-N 2.96Å
135V45.1Very low51.2Low143 Ų143153 Ų15387%0.86779%0.794SS**  trans-60.883.6175.8-177.50000107.9L133 K137L133-V135 PolarHBondContact O-N 3.16Å; V135-K137 PolarHBondContact O-N 3.28Å
136A51.5Low53.1Low82 Ų82147.8 Ų147.868%0.67878%0.778SS**  trans-67.9103.8175.400000106.4S134 K138S134-A136 PolarHBondContact O-N 2.96Å; A136-K138 PolarHBondContact O-N 2.89Å
137K57Low55.4Low199 Ų199142.8 Ų142.887%0.86576%0.757SS**  trans-38.9114165-111.1169.4176168.70107.6V135 P139V135-K137 PolarHBondContact O-N 3.28Å; K137-P139 VanDerWaalsContact O-N 3.11Å
138K56.9Low57.9Low197 Ų197137.9 Ų137.986%0.85774%0.741SS**  trans-49.3122.9173.4-68.8-178.7179.2177.60106.9A136 S140A136-K138 PolarHBondContact O-N 2.89Å; K138-S140 PolarHBondContact O-N 3.41Å
139P54.1Low60.2Low119 Ų119137.2 Ų137.277%0.77374%0.736SS**  trans-59.8118.5173.824.2-30.3000106.1K137 V141K137-P139 VanDerWaalsContact O-N 3.11Å; P139-V141 PolarHBondContact O-N 3.45Å
140S53.1Low62.7Low96 Ų96135.7 Ų135.767%0.67173%0.726SS**  trans-41.3129.3167.6171.30000108K138 V142K138-S140 PolarHBondContact O-N 3.41Å; S140-V142 PolarHBondContact O-N 3.21Å
141V59Low64.7Low144 Ų144134.3 Ų134.387%0.87371%0.709SS**  trans-69.265.9179.6-176.10000108.5P139P139-V141 PolarHBondContact O-N 3.45Å
142V62.2Low67.2Low98 Ų98129.4 Ų129.459%0.59470%0.696SS**  trans-78.1123.2164.2-177.80000104.5S140 T144S140-V142 PolarHBondContact O-N 3.21Å; V142-T144 PolarHBondContact O-N 2.97Å
143K57.7Low69.3Low202 Ų202122.8 Ų122.888%0.87868%0.679SS**  trans-61.588.9166.7-68.5177-179.8176.30106.9I145K143-I145 PolarHBondContact O-N 2.61Å
144T73.1Confident71.7Confident116 Ų116122.4 Ų122.471%0.71267%0.671SS**PPolyproline II helixtrans-66.7131.3175.3450000107.3V142V142-T144 PolarHBondContact O-N 2.97Å
145I81.8Confident73.8Confident143 Ų143120 Ų12073%0.73366%0.657SS**PPolyproline II helixtrans-53.7130.4168.5-63.2168.5000106K143 D147K143-I145 PolarHBondContact O-N 2.61Å; I145-D147 PolarHBondContact O-N 3.18Å
146P84.6Confident75.8Confident74 Ų74116 Ų11648%0.48164%0.639SS.*PPolyproline II helixtrans-51.9128.8177.1-25.533.4000109.9F148 I151P146-F148 VanDerWaalsContact C-N 3.3Å; P146-F148 VanDerWaalsContact O-CD2 3.27Å; P146-F148 WeakPolarHBondContact O-CD2 3.5Å; P146-F148 PolarHBondContact O-N 3.07Å; P146-I151 HydrophobicContact CB-CD1 3.79Å
147D86.2Confident77.4Confident73 Ų73117.2 Ų117.239%0.3964%0.642SS.*  trans-72.790.8174.9-175-16.8000108.2I145 S149 K150 I151I145-D147 PolarHBondContact O-N 3.18Å; D147-S149 PolarHBondContact O-N 3.4Å; D147-S149 WeakPolarHBondContact OD1-CB 3.38Å; D147-S149 PolarHBondContact OD1-N 3.04Å; D147-S149 VanDerWaalsContact OD1-N 3.16Å; D147-K150 HydrophobicContact CB-CB 4.15Å; D147-K150 HydrophobicContact CB-CD 4.21Å; D147-K150 HydrophobicContact CB-CG 4.32Å; D147-K150 PolarHBondContact O-N 3.03Å; D147-K150 VanDerWaalsContact O-N 3.15Å; D147-K150 PolarHBondContact OD1-N 3.29Å; D147-K150 VanDerWaalsContact OD1-N 3.15Å; D147-K150 WeakPolarHBondContact OD2-CD 3.1Å; D147-K150 WeakPolarHBondContact OD2-CE 3.44Å; D147-K150 VanDerWaalsContact OD2-CG 3.3Å; D147-K150 WeakPolarHBondContact OD2-CG 3.34Å; D147-K150 IonicContact OD2-NZ 3.87Å; D147-I151 WeakPolarHBondContact O-CG1 3.43Å; D147-I151 PolarHBondContact O-N 3.24Å
148F90.5Very high78.9Confident123 Ų123115.3 Ų115.354%0.53963%0.634SS.*Hα-helixtrans-59.8-29.7-179.4-70.8-77.5000111.6P146 I151 H152P146-F148 VanDerWaalsContact C-N 3.3Å; P146-F148 VanDerWaalsContact O-CD2 3.27Å; P146-F148 WeakPolarHBondContact O-CD2 3.5Å; P146-F148 PolarHBondContact O-N 3.07Å; F148-I151 PolarHBondContact O-N 3.15Å; F148-H152 VanDerWaalsContact O-CB 3.3Å; F148-H152 WeakPolarHBondContact O-CB 3.45Å; F148-H152 PolarHBondContact O-CD2 2.7Å; F148-H152 VanDerWaalsContact O-CG 3.3Å; F148-H152 PolarHBondContact O-N 2.98Å
149S90.1Very high80.4Confident93 Ų93112.4 Ų112.465%0.6563%0.628SS**Hα-helixtrans-63.3-46.8175.1-59.10000111D147 I151 H152 A153D147-S149 PolarHBondContact O-N 3.4Å; D147-S149 WeakPolarHBondContact OD1-CB 3.38Å; D147-S149 PolarHBondContact OD1-N 3.04Å; D147-S149 VanDerWaalsContact OD1-N 3.16Å; S149-I151 PolarHBondContact O-N 3.16Å; S149-H152 PolarHBondContact O-N 2.97Å; S149-A153 WeakPolarHBondContact O-CB 3.35Å; S149-A153 PolarHBondContact O-N 3.19Å
150K91.2Very high81.9Confident152 Ų152110.2 Ų110.266%0.66161%0.607SS**Hα-helixtrans-63.8-38.8173.8-75.8179.8-172.4175.20112.8D147 K154D147-K150 HydrophobicContact CB-CB 4.15Å; D147-K150 HydrophobicContact CB-CD 4.21Å; D147-K150 HydrophobicContact CB-CG 4.32Å; D147-K150 PolarHBondContact O-N 3.03Å; D147-K150 VanDerWaalsContact O-N 3.15Å; D147-K150 PolarHBondContact OD1-N 3.29Å; D147-K150 VanDerWaalsContact OD1-N 3.15Å; D147-K150 WeakPolarHBondContact OD2-CD 3.1Å; D147-K150 WeakPolarHBondContact OD2-CE 3.44Å; D147-K150 VanDerWaalsContact OD2-CG 3.3Å; D147-K150 WeakPolarHBondContact OD2-CG 3.34Å; D147-K150 IonicContact OD2-NZ 3.87Å; K150-K154 VanDerWaalsContact O-CB 3.24Å; K150-K154 WeakPolarHBondContact O-CB 3.41Å; K150-K154 PolarHBondContact O-N 3.09Å
151I89.7Confident83.5Confident86 Ų86109.2 Ų109.244%0.44160%0.6SS.*Hα-helixtrans-65.5-43.5178.1-66.1167.6000110.6P146 D147 F148 S149 K154 A155P146-I151 HydrophobicContact CB-CD1 3.79Å; D147-I151 WeakPolarHBondContact O-CG1 3.43Å; D147-I151 PolarHBondContact O-N 3.24Å; F148-I151 PolarHBondContact O-N 3.15Å; S149-I151 PolarHBondContact O-N 3.16Å; I151-K154 PolarHBondContact O-N 3.08Å; I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 2.99Å
152H90.7Very high84.7Confident126 Ų126109.5 Ų109.558%0.58360%0.596SS**Hα-helixtrans-69.1-43.5179.7-76.6-139.8000111.4F148 S149 K154 A155 A156F148-H152 VanDerWaalsContact O-CB 3.3Å; F148-H152 WeakPolarHBondContact O-CB 3.45Å; F148-H152 PolarHBondContact O-CD2 2.7Å; F148-H152 VanDerWaalsContact O-CG 3.3Å; F148-H152 PolarHBondContact O-N 2.98Å; S149-H152 PolarHBondContact O-N 2.97Å; H152-K154 VanDerWaalsContact C-N 3.33Å; H152-K154 PolarHBondContact O-N 3.31Å; H152-A155 PolarHBondContact O-N 3.48Å; H152-A156 WeakPolarHBondContact O-CB 3.41Å; H152-A156 PolarHBondContact O-N 3.08Å
153A91.2Very high85.7Confident62 Ų62109.9 Ų109.951%0.51260%0.598SS.*Hα-helixtrans-60.3-42.8174.200000111.6S149 A155 A156 S157S149-A153 WeakPolarHBondContact O-CB 3.35Å; S149-A153 PolarHBondContact O-N 3.19Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.25Å; A153-A156 PolarHBondContact O-N 3.01Å; A153-S157 VanDerWaalsContact O-CB 3.27Å; A153-S157 WeakPolarHBondContact O-CB 3.41Å; A153-S157 PolarHBondContact O-N 3.04Å
154K92.8Very high86.9Confident139 Ų139102.9 Ų102.960%0.60457%0.574SS**Hα-helixtrans-67.3-33.7175.4-172.2172.1-175.2171.80112.8K150 I151 H152 K158K150-K154 VanDerWaalsContact O-CB 3.24Å; K150-K154 WeakPolarHBondContact O-CB 3.41Å; K150-K154 PolarHBondContact O-N 3.09Å; I151-K154 PolarHBondContact O-N 3.08Å; H152-K154 VanDerWaalsContact C-N 3.33Å; H152-K154 PolarHBondContact O-N 3.31Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 2.85Å
155A90.8Very high87.4Confident53 Ų53103.6 Ų103.644%0.43857%0.565SS.*Hα-helixtrans-70.2-45.7174.500000111.1I151 H152 A153 S157 K158 L159I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 2.99Å; H152-A155 PolarHBondContact O-N 3.48Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.25Å; A155-S157 PolarHBondContact O-N 3.46Å; A155-K158 WeakPolarHBondContact O-CB 3.42Å; A155-K158 PolarHBondContact O-N 2.89Å; A155-K158 VanDerWaalsContact O-N 3.12Å; A155-L159 PolarHBondContact O-N 3.34Å
156A87.5Confident87.5Confident59 Ų5998.7 Ų98.749%0.48855%0.546SS..Hα-helixtrans-62.5-41.3176.800000112H152 A153 K158 L159H152-A156 WeakPolarHBondContact O-CB 3.41Å; H152-A156 PolarHBondContact O-N 3.08Å; A153-A156 PolarHBondContact O-N 3.01Å; A156-K158 PolarHBondContact O-N 3.32Å; A156-L159 WeakPolarHBondContact O-CB 3.15Å; A156-L159 PolarHBondContact O-N 3.22Å
157S85.2Confident87.4Confident107 Ų10798.6 Ų98.675%0.74855%0.547SS*.Hα-helixtrans-63.9-20.6175.1173.60000113.7A153 A155A153-S157 VanDerWaalsContact O-CB 3.27Å; A153-S157 WeakPolarHBondContact O-CB 3.41Å; A153-S157 PolarHBondContact O-N 3.04Å; A155-S157 PolarHBondContact O-N 3.46Å
158K88.6Confident87Confident160 Ų160101.7 Ų101.770%0.69655%0.553SS**THydrogen-bonded Turntrans-88-14172.9-72.6176.6176.9-168.20113.3K154 A155 A156K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 2.85Å; A155-K158 WeakPolarHBondContact O-CB 3.42Å; A155-K158 PolarHBondContact O-N 2.89Å; A155-K158 VanDerWaalsContact O-N 3.12Å; A156-K158 PolarHBondContact O-N 3.32Å
159L88.5Confident86Confident136 Ų136102 Ų10271%0.71256%0.556SS**SBendtrans-77.1125.5173.3-62.2178.4000107.6A155 A156A155-L159 PolarHBondContact O-N 3.34Å; A156-L159 WeakPolarHBondContact O-CB 3.15Å; A156-L159 PolarHBondContact O-N 3.22Å
160E86.7Confident84.9Confident73 Ų73103.3 Ų103.334%0.34156%0.556SS.*PPolyproline II helixtrans-66141.7172.1177172.8168.600110.5S164 Y165 R168E160-S164 VanDerWaalsContact CG-CB 3.47Å; E160-S164 WeakPolarHBondContact CG-OG 3.49Å; E160-S164 VanDerWaalsContact OE1-CB 3.24Å; E160-S164 WeakPolarHBondContact OE1-CB 3.47Å; E160-S164 PolarHBondContact OE1-OG 3.07Å; E160-Y165 PolarHBondContact OE1-N 2.95Å; E160-R168 VanDerWaalsContact CD-NH2 3.26Å; E160-R168 IonicContact OE1-CZ 3.38Å; E160-R168 IonicContact OE1-NE 3.44Å; E160-R168 PolarHBondContact OE1-NE 3.39Å; E160-R168 IonicContact OE1-NH1 3.03Å; E160-R168 PolarHBondContact OE1-NH1 3.28Å; E160-R168 IonicContact OE1-NH2 3.37Å; E160-R168 PolarHBondContact OE1-NH2 2.98Å; E160-R168 IonicContact OE2-CZ 3.43Å; E160-R168 IonicContact OE2-NE 3.82Å; E160-R168 IonicContact OE2-NH1 2.83Å; E160-R168 PolarHBondContact OE2-NH1 3.03Å; E160-R168 IonicContact OE2-NH2 2.62Å; E160-R168 PolarHBondContact OE2-NH2 3.22Å
161S86.1Confident83.4Confident75 Ų75100.1 Ų100.152%0.52455%0.545SS..PPolyproline II helixtrans-54.3140.7173.6170.90000110.7V163 S164 Y165S161-V163 PolarHBondContact O-N 3.31Å; S161-V163 VanDerWaalsContact O-N 3.12Å; S161-V163 PolarHBondContact OG-N 2.97Å; S161-S164 PolarHBondContact O-N 3.45Å; S161-Y165 PolarHBondContact O-N 2.58Å
162L82.7Confident81.9Confident150 Ų150102.4 Ų102.479%0.78556%0.563SS**Hα-helixtrans-52-35.8176.1-77.7171000112.2Y165 A166L162-Y165 PolarHBondContact O-N 2.72Å; L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.43Å
163V84.9Confident80.5Confident106 Ų106101.1 Ų101.164%0.64257%0.569SS**Hα-helixtrans-62.3-45.8176.8-179.50000110.9S161 A166 S167S161-V163 PolarHBondContact O-N 3.31Å; S161-V163 VanDerWaalsContact O-N 3.12Å; S161-V163 PolarHBondContact OG-N 2.97Å; V163-A166 PolarHBondContact O-N 2.99Å; V163-S167 PolarHBondContact O-N 3.08Å; V163-S167 PolarHBondContact O-OG 3.39Å; V163-S167 VanDerWaalsContact O-OG 3.08Å
164S83.2Confident79.3Confident54 Ų54105.3 Ų105.338%0.37858%0.575SS.*Hα-helixtrans-68.7-38.2179.4-1760000111.5E160 S161 S167 R168E160-S164 VanDerWaalsContact CG-CB 3.47Å; E160-S164 WeakPolarHBondContact CG-OG 3.49Å; E160-S164 VanDerWaalsContact OE1-CB 3.24Å; E160-S164 WeakPolarHBondContact OE1-CB 3.47Å; E160-S164 PolarHBondContact OE1-OG 3.07Å; S161-S164 PolarHBondContact O-N 3.45Å; S164-S167 PolarHBondContact O-N 2.92Å; S164-R168 PolarHBondContact O-N 3.36Å; S164-R168 VanDerWaalsContact O-N 3.13Å
165Y83.6Confident78.1Confident131 Ų131104.6 Ų104.651%0.51459%0.585SS.*Hα-helixtrans-60.8-46.9172.8179.5-93.1000111.9E160 S161 L162 R168 H169E160-Y165 PolarHBondContact OE1-N 2.95Å; S161-Y165 PolarHBondContact O-N 2.58Å; L162-Y165 PolarHBondContact O-N 2.72Å; Y165-R168 PolarHBondContact O-N 2.9Å; Y165-H169 PolarHBondContact O-N 3.12Å; Y165-H169 VanDerWaalsContact O-N 3.13Å
166A83.7Confident77Confident41 Ų41109.1 Ų109.134%0.33959%0.591SS.*Hα-helixtrans-61.9-44.7177.400000111.6L162 V163 R168 H169 N170L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.43Å; V163-A166 PolarHBondContact O-N 2.99Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 2.94Å; A166-H169 PolarHBondContact O-N 3.38Å; A166-N170 WeakPolarHBondContact O-CB 3.26Å; A166-N170 VanDerWaalsContact O-CG 3.24Å; A166-N170 PolarHBondContact O-N 3.5Å; A166-N170 PolarHBondContact O-ND2 2.98Å
167S82Confident76.5Confident71 Ų71110.5 Ų110.550%0.49760%0.595SS.*Hα-helixtrans-57.6-39.2176.7-66.80000112.8V163 S164V163-S167 PolarHBondContact O-N 3.08Å; V163-S167 PolarHBondContact O-OG 3.39Å; V163-S167 VanDerWaalsContact O-OG 3.08Å; S164-S167 PolarHBondContact O-N 2.92Å
168R76.6Confident76.1Confident139 Ų139111.1 Ų111.153%0.52560%0.596SS.*Hα-helixtrans-71.1-33.8175.3-67.4-166.6-47.9-145.8-10.1113.4E160 S164 Y165 A166 L171E160-R168 VanDerWaalsContact CD-NH2 3.26Å; E160-R168 IonicContact OE1-CZ 3.38Å; E160-R168 IonicContact OE1-NE 3.44Å; E160-R168 PolarHBondContact OE1-NE 3.39Å; E160-R168 IonicContact OE1-NH1 3.03Å; E160-R168 PolarHBondContact OE1-NH1 3.28Å; E160-R168 IonicContact OE1-NH2 3.37Å; E160-R168 PolarHBondContact OE1-NH2 2.98Å; E160-R168 IonicContact OE2-CZ 3.43Å; E160-R168 IonicContact OE2-NE 3.82Å; E160-R168 IonicContact OE2-NH1 2.83Å; E160-R168 PolarHBondContact OE2-NH1 3.03Å; E160-R168 IonicContact OE2-NH2 2.62Å; E160-R168 PolarHBondContact OE2-NH2 3.22Å; S164-R168 PolarHBondContact O-N 3.36Å; S164-R168 VanDerWaalsContact O-N 3.13Å; Y165-R168 PolarHBondContact O-N 2.9Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 2.94Å; R168-L171 PolarHBondContact O-N 3.21Å
169H70.7Confident75.7Confident128 Ų128113 Ų11359%0.59361%0.605SS**Hα-helixtrans-80.8-23-179.3-155.5-69.4000112.5Y165 A166 L171Y165-H169 PolarHBondContact O-N 3.12Å; Y165-H169 VanDerWaalsContact O-N 3.13Å; A166-H169 PolarHBondContact O-N 3.38Å; H169-L171 PolarHBondContact O-N 2.99Å
170N66.8Low75.2Confident121 Ų121108.5 Ų108.565%0.64759%0.587SS**SBendtrans-75.1-9171.6-69.9-17.1000113A166 T172A166-N170 WeakPolarHBondContact O-CB 3.26Å; A166-N170 VanDerWaalsContact O-CG 3.24Å; A166-N170 PolarHBondContact O-N 3.5Å; A166-N170 PolarHBondContact O-ND2 2.98Å; N170-T172 PolarHBondContact O-N 2.86Å
171L59.4Low74.8Confident85 Ų85109.1 Ų109.145%0.44560%0.6SS.*  trans-75.465.2165.6-66.3167.4000109.9R168 H169 S173R168-L171 PolarHBondContact O-N 3.21Å; H169-L171 PolarHBondContact O-N 2.99Å; L171-S173 PolarHBondContact O-N 3.42Å
172T58.6Low74.4Confident134 Ų134110.8 Ų110.882%0.82261%0.609SS**THydrogen-bonded Turntrans-660.1172.551.70000113N170N170-T172 PolarHBondContact O-N 2.86Å
173S61.2Low73.9Confident99 Ų99107.8 Ų107.869%0.69260%0.598SS**THydrogen-bonded Turntrans-97.7-5.9-178.659.40000115.5L171L171-S173 PolarHBondContact O-N 3.42Å
174K66.5Low73.2Confident150 Ų150112.4 Ų112.465%0.65261%0.61SS**SBendtrans-84.1130.1177.5-69.6-169.1177.2-177.50111.1R176K174-R176 PolarHBondContact O-N 2.8Å
175P66.7Low72.6Confident124 Ų124115.2 Ų115.281%0.80563%0.625SS**PPolyproline II helixtrans-58.5125.4178.222-30.8000109.9
176R68.2Low71.6Confident148 Ų148114.6 Ų114.656%0.55863%0.63SS**PPolyproline II helixtrans-60.7138.3176.1-104.4-177.6174.5-170.5-1.4109.2K174 A180 S181 P183K174-R176 PolarHBondContact O-N 2.8Å; R176-A180 HydrophobicContact CB-CB 4.35Å; R176-A180 HydrophobicContact CG-CB 4.2Å; R176-S181 PolarHBondContact NH1-O 3.49Å; R176-P183 VanDerWaalsContact NH1-CA 3.3Å; R176-P183 VanDerWaalsContact NH1-N 3.12Å
177P76.9Confident70.7Confident88 Ų88119.2 Ų119.257%0.57165%0.649SS**PPolyproline II helixtrans-58.2144172.121.6-29.1000109.8F179 A180P177-F179 PolarHBondContact O-N 3.17Å; P177-A180 HydrophobicContact CG-CB 4.27Å; P177-A180 WeakPolarHBondContact O-CB 3.38Å; P177-A180 PolarHBondContact O-N 2.87Å
178P75.9Confident69.7Low121 Ų121122.1 Ų122.179%0.78666%0.659SS**THydrogen-bonded Turntrans-62.5-15.8-169.123.2-34.2000114.3
179F80.7Confident68.4Low200 Ų200125.2 Ų125.288%0.87768%0.676SS**THydrogen-bonded Turntrans-97.72178-56.6-73.3000113.9P177P177-F179 PolarHBondContact O-N 3.17Å
180A77.4Confident67.3Low41 Ų41128.2 Ų128.234%0.33969%0.688SS.*SBendtrans-70135.7171.900000109.6R176 P177R176-A180 HydrophobicContact CB-CB 4.35Å; R176-A180 HydrophobicContact CG-CB 4.2Å; P177-A180 HydrophobicContact CG-CB 4.27Å; P177-A180 WeakPolarHBondContact O-CB 3.38Å; P177-A180 PolarHBondContact O-N 2.87Å
181S79.1Confident66.2Low86 Ų86128.5 Ų128.560%0.60169%0.693SS**PPolyproline II helixtrans-53.8146.6173.630.50000110.9R176R176-S181 PolarHBondContact NH1-O 3.49Å
182P77.2Confident65.5Low110 Ų110129.4 Ų129.471%0.71471%0.707SS**PPolyproline II helixtrans-51.1144.8179.4-26.834.2000111.7F184P182-F184 PolarHBondContact O-N 3.44Å
183P73Confident64.8Low87 Ų87131 Ų13157%0.56571%0.711SS**PPolyproline II helixtrans-57.5135.4174.123.7-30.6000109.2R176 V185R176-P183 VanDerWaalsContact NH1-CA 3.3Å; R176-P183 VanDerWaalsContact NH1-N 3.12Å; P183-V185 PolarHBondContact O-N 3.44Å
184F69.7Low64.1Low202 Ų202131.5 Ų131.589%0.88671%0.714SS**  trans-66.8100.3169.9-76.3-82.4000107.1P182 N186P182-F184 PolarHBondContact O-N 3.44Å; F184-N186 PolarHBondContact O-N 2.98Å; F184-N186 VanDerWaalsContact O-N 3.11Å
185V70.7Confident63.1Low114 Ų114128.9 Ų128.969%0.69171%0.714SS**  trans-67108.6168.9-172.80000106P183 N187P183-V185 PolarHBondContact O-N 3.44Å; V185-N187 WeakPolarHBondContact CG1-OD1 3.48Å; V185-N187 PolarHBondContact O-N 2.9Å; V185-N187 PolarHBondContact O-OD1 2.8Å
186N62.9Low62Low118 Ų118129.5 Ų129.563%0.63171%0.711SS**  trans-80.7112.9169.1-168.78.3000106.9F184 N188F184-N186 PolarHBondContact O-N 2.98Å; F184-N186 VanDerWaalsContact O-N 3.11Å; N186-N188 PolarHBondContact O-N 3.47Å; N186-N188 VanDerWaalsContact OD1-CG 3.29Å; N186-N188 PolarHBondContact OD1-ND2 3.28Å; N186-N188 PolarHBondContact OD1-OD1 3.01Å
187N64.8Low61Low137 Ų137131.2 Ų131.273%0.73373%0.725SS**  trans-75.419.1-173.4-60.9-11.9000113.2V185 K189V185-N187 WeakPolarHBondContact CG1-OD1 3.48Å; V185-N187 PolarHBondContact O-N 2.9Å; V185-N187 PolarHBondContact O-OD1 2.8Å; N187-K189 VanDerWaalsContact C-N 3.34Å; N187-K189 PolarHBondContact O-N 3.38Å
188N61.6Low59.5Low132 Ų132137.3 Ų137.371%0.70674%0.742SS**  trans-91.411.2-173.2-64.40.3000113.6N186 K190N186-N188 PolarHBondContact O-N 3.47Å; N186-N188 VanDerWaalsContact OD1-CG 3.29Å; N186-N188 PolarHBondContact OD1-ND2 3.28Å; N186-N188 PolarHBondContact OD1-OD1 3.01Å; N188-K190 PolarHBondContact O-N 3.15Å
189K49Very low58.2Low204 Ų204136.7 Ų136.789%0.88774%0.741SS**  trans-95.879.3179-146.7174.4-173.2-176.80110.3N187N187-K189 VanDerWaalsContact C-N 3.34Å; N187-K189 PolarHBondContact O-N 3.38Å
190K47.6Very low56.6Low191 Ų191135.8 Ų135.883%0.8374%0.74SS**  trans-111.7121.5156.3-104.4-162.9178.4-170.40107.3N188N188-K190 PolarHBondContact O-N 3.15Å
191V44.2Very low55.2Low127 Ų127141.6 Ų141.677%0.7776%0.763SS**  trans62.8102.2151.5-166.10000113
192S43.4Very low53.5Low104 Ų104141.7 Ų141.773%0.72776%0.764SS**  -175.1136.479.119.30000109.1S194S192-S194 PolarHBondContact O-N 3.26Å
193D44Very low52.5Low168 Ų168145.2 Ų145.290%0.89877%0.771SS**  trans-69.3117158.5-59.2-51.3000107.4
194S46Very low51.4Low110 Ų110145.1 Ų145.177%0.76978%0.777SS**  trans178145.8144.239.70000110.1S192S192-S194 PolarHBondContact O-N 3.26Å
195S47Very low50.3Low94 Ų94142.7 Ų142.766%0.65777%0.774SS**  trans-41.1148.5-178.7490000116.9
196D42.5Very low49.5Very low137 Ų137144 Ų14473%0.73378%0.775SS**  trans55.386.5144.6-56.2-28.2000117.2
197H46.9Very low49Very low185 Ų185143.6 Ų143.686%0.85678%0.779SS**  trans-158.5127.6140.3-89.6-56000111.2S199H197-S199 PolarHBondContact O-N 3.21Å; H197-S199 VanDerWaalsContact O-N 3.12Å; H197-S199 PolarHBondContact O-OG 2.9Å
198K46.2Very low48.3Very low215 Ų215144.6 Ų144.694%0.93578%0.779SS**  trans-46.8114.9165.9-68.6-179.4174.9179.10109.2
199S48.5Very low47.5Very low108 Ų108148.1 Ų148.176%0.75578%0.783SS**  trans-108.1109.1173.6-34.70000109.1H197 I201H197-S199 PolarHBondContact O-N 3.21Å; H197-S199 VanDerWaalsContact O-N 3.12Å; H197-S199 PolarHBondContact O-OG 2.9Å; S199-I201 PolarHBondContact O-N 3.44Å
200E48.1Very low47.4Very low182 Ų182146.6 Ų146.685%0.8578%0.776SS**  trans-48.3133.2161-84.2174.3125.900110.3S202E200-S202 VanDerWaalsContact C-N 3.32Å; E200-S202 PolarHBondContact O-N 2.76Å
201I46.4Very low47.4Very low162 Ų162145 Ų14583%0.83177%0.77SS**  trans-72.393.7170.7-69.5163.8000107S199 Q203S199-I201 PolarHBondContact O-N 3.44Å; I201-Q203 PolarHBondContact O-N 2.67Å
202S44.6Very low47.3Very low89 Ų89143.6 Ų143.662%0.62277%0.765SS**  trans-66115.1169.6-30.90000108.5E200 A204E200-S202 VanDerWaalsContact C-N 3.32Å; E200-S202 PolarHBondContact O-N 2.76Å; S202-A204 PolarHBondContact O-N 2.72Å
203Q56.2Low47.5Very low183 Ų183146 Ų14686%0.85577%0.769SS**THydrogen-bonded Turntrans-65.610.7174.3-74.9-172.9-400114.2I201I201-Q203 PolarHBondContact O-N 2.67Å
204A49.3Very low47.7Very low85 Ų85145.4 Ų145.470%0.70276%0.761SS**THydrogen-bonded Turntrans-88.7-4.8-170.200000115.3S202S202-A204 PolarHBondContact O-N 2.72Å
205N46Very low47.7Very low151 Ų151149.8 Ų149.881%0.80777%0.767SS**  trans-114.255.6-179.1-78-43.5000112.5P207N205-P207 WeakPolarHBondContact O-CD 3.42Å
206I53.5Low47.8Very low142 Ų142154.2 Ų154.273%0.72877%0.774SS**  trans-79.9117.7159.6-61.6173.3000105.9E208I206-E208 PolarHBondContact O-N 2.92Å
207P52.5Low47.9Very low110 Ų110157 Ų15771%0.71478%0.78SS**  trans-59.1116.8171.3-14.126.6000106.7N205 R209N205-P207 WeakPolarHBondContact O-CD 3.42Å; P207-R209 PolarHBondContact O-N 3.08Å
208E51.2Low48Very low157 Ų157153.5 Ų153.573%0.73478%0.776SS**  trans-56.888.1160.8-75.5-166.4165.500106.6I206 K210I206-E208 PolarHBondContact O-N 2.92Å; E208-K210 HydrophobicContact CB-CG 4.39Å; E208-K210 PolarHBondContact O-N 3.31Å; E208-K210 WeakPolarHBondContact OE2-CE 3.3Å; E208-K210 IonicContact OE2-NZ 3.87Å
209R45Very low48Very low206 Ų206150.3 Ų150.378%0.77777%0.767SS**  trans-70.985.1166.6-158.4171.9-166146.55.2104.1P207 F211P207-R209 PolarHBondContact O-N 3.08Å; R209-F211 HydrophobicContact CB-CD2 4.47Å; R209-F211 HydrophobicContact CB-CE2 4.49Å; R209-F211 HydrophobicContact CG-CD2 4.13Å; R209-F211 HydrophobicContact CG-CE2 3.92Å; R209-F211 PolarHBondContact O-N 3.32Å
210K46.9Very low48.1Very low172 Ų172149.7 Ų149.775%0.74876%0.761SS**  trans-60.184166.3-66.9-168.6179.8-178.50106.2E208 S212E208-K210 HydrophobicContact CB-CG 4.39Å; E208-K210 PolarHBondContact O-N 3.31Å; E208-K210 WeakPolarHBondContact OE2-CE 3.3Å; E208-K210 IonicContact OE2-NZ 3.87Å; K210-S212 PolarHBondContact O-N 3.45Å
211F46.5Very low48.1Very low157 Ų157148.9 Ų148.969%0.68976%0.761SS**  trans-63.591154.5-82.9-80.3000104.9R209 L213R209-F211 HydrophobicContact CB-CD2 4.47Å; R209-F211 HydrophobicContact CB-CE2 4.49Å; R209-F211 HydrophobicContact CG-CD2 4.13Å; R209-F211 HydrophobicContact CG-CE2 3.92Å; R209-F211 PolarHBondContact O-N 3.32Å; F211-L213 PolarHBondContact O-N 2.93Å
212S42.2Very low48.2Very low98 Ų98147.8 Ų147.869%0.68576%0.757SS**  trans-60.285.7159.8-1780000106.1K210 Q214K210-S212 PolarHBondContact O-N 3.45Å; S212-Q214 PolarHBondContact O-N 3.45Å
213L48.8Very low47.9Very low154 Ų154151 Ų15181%0.80677%0.768SS**  trans-66.186.2155-70.1173.5000103.9F211 K215F211-L213 PolarHBondContact O-N 2.93Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.37Å
214Q47.7Very low47.4Very low157 Ų157151.1 Ų151.173%0.73477%0.765SS**  trans-46.7110.5158.4-79.6-173-11.700105.3S212 K216S212-Q214 PolarHBondContact O-N 3.45Å; Q214-K216 PolarHBondContact O-N 2.91Å
215K46Very low46.9Very low202 Ų202154 Ų15488%0.87877%0.774SS**  trans-55.488.3166.8-84.4178.4174.3174.50105.5L213 K217L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.37Å; K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 3.1Å
216K47.8Very low46.9Very low187 Ų187152.8 Ų152.881%0.81377%0.773SS**  trans-62.3104.2158.7-76.9-158174.3-1710104.1Q214 S218Q214-K216 PolarHBondContact O-N 2.91Å; K216-S218 PolarHBondContact O-N 2.99Å
217K46.2Very low46.2Very low196 Ų196153.6 Ų153.685%0.85278%0.777SS**  trans-43.7115.2167.4-76179.5175.3179.40106.1K215 I219K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 3.1Å; K217-I219 PolarHBondContact O-N 3.12Å
218S49Very low45.6Very low110 Ų110155.5 Ų155.577%0.76978%0.78SS**  trans-60.4108.5172.149.20000106.7K216 P220K216-S218 PolarHBondContact O-N 2.99Å; S218-P220 WeakPolarHBondContact O-CD 3.27Å
219I46Very low45.1Very low148 Ų148156.9 Ų156.976%0.75978%0.784SS**  trans-64.9122.9166.5-61.2169000105.4K217 L221K217-I219 PolarHBondContact O-N 3.12Å; I219-L221 PolarHBondContact O-N 3.05Å; I219-L221 VanDerWaalsContact O-N 3.07Å
220P49.5Very low45Very low96 Ų96153.9 Ų153.962%0.62378%0.783SS**  trans-63113.2170.824.9-28.9000107.7S218 N222S218-P220 WeakPolarHBondContact O-CD 3.27Å; P220-N222 PolarHBondContact O-N 2.96Å
221L48.5Very low44.6Very low164 Ų164150.6 Ų150.686%0.85978%0.782SS**  trans-69.586.8167.7-99.2146.1000106.8I219I219-L221 PolarHBondContact O-N 3.05Å; I219-L221 VanDerWaalsContact O-N 3.07Å
222N49.1Very low44.5Very low140 Ų140150.3 Ų150.375%0.74979%0.787SS**  trans-78.2119.3163.8-70.4-5.4000107.3P220 K224P220-N222 PolarHBondContact O-N 2.96Å; N222-K224 PolarHBondContact O-N 3.49Å
223D37.8Very low44.3Very low157 Ų157150.4 Ų150.484%0.8479%0.788SS**  trans-56.7102.3172.6-70.2-41.8000110.6
224K45.5Very low44Very low184 Ų184150.1 Ų150.180%0.879%0.793SS**  trans-143.297.1149-70.1-164.5-180-177.60108.7N222 T226N222-K224 PolarHBondContact O-N 3.49Å; K224-T226 PolarHBondContact O-N 2.91Å
225T39.4Very low43.7Very low146 Ų146151.8 Ų151.890%0.89680%0.797SS**  trans-45.1104.5155.338.20000109.6
226T46.2Very low43.5Very low126 Ų126153.7 Ų153.777%0.77380%0.799SS**  trans-131.6111.115720.80000107.3K224 L228K224-T226 PolarHBondContact O-N 2.91Å; T226-L228 PolarHBondContact O-N 3.11Å
227I38.4Very low43.4Very low158 Ų158149.9 Ų149.981%0.8180%0.796SS**  trans-59.7114.7170.7-64.9160.8000106.7
228L40.5Very low43.1Very low150 Ų150150.6 Ų150.679%0.78580%0.799SS**  trans-136.498.5158.5-143.579000108.7T226 N230T226-L228 PolarHBondContact O-N 3.11Å; L228-N230 PolarHBondContact O-N 2.87Å
229K39.7Very low42.8Very low186 Ų186150.4 Ų150.481%0.80980%0.798SS**  trans-56.1126.3159.4-68.6174.9175.8176.80106.8
230N44.1Very low42.5Very low144 Ų144149.7 Ų149.777%0.7780%0.8SS**  trans-153.7104.3150.7-87.5-24.1000108.5L228L228-N230 PolarHBondContact O-N 2.87Å
231S38.6Very low42.2Very low102 Ų102154.6 Ų154.671%0.71381%0.812SS**  trans-53134.2159.5-24.70000109
232N43.8Very low41.6Very low151 Ų151151.1 Ų151.181%0.80780%0.801SS**  169.2127.2127.9-80.1-23.3000112.5
233S37.4Very low40.9Very low101 Ų101155.4 Ų155.471%0.70681%0.807SS**  trans49.4107.2147.672.20000119.9
234V43.8Very low41Very low148 Ų148157.7 Ų157.790%0.89781%0.81SS**  trans-126.9104.6139.8179.60000108.3
235K41.3Very low40.6Very low192 Ų192153.7 Ų153.784%0.83581%0.805SS**  trans-72.2129.6168.6-66.1176.5176.81760109.3
236R41.7Very low40.7Very low241 Ų241152 Ų15291%0.90980%0.799SS**  trans170.8130.2152.5-105.1170.4152.9124.9-3.4106.8
237S44.9Very low40.5Very low108 Ų108152.3 Ų152.376%0.75580%0.796SS**  cis-166.2139.25.320.20000105.5S239S237-S239 PolarHBondContact O-N 2.85Å
238K40.3Very low40.4Very low211 Ų211153.2 Ų153.292%0.91780%0.797SS**  trans-64.1120.1177.7-63.5172.2177.5177.20109.2
239S43.1Very low40.3Very low106 Ų106153.6 Ų153.674%0.74180%0.798SS**  trans-106.2108.815774.10000108.4S237 F241S237-S239 PolarHBondContact O-N 2.85Å; S239-F241 PolarHBondContact O-N 3.43Å
240V39.3Very low40.1Very low133 Ų133150.5 Ų150.581%0.80680%0.8SS**  trans-65113.3168.7176.90000107.1
241F42.6Very low40Very low199 Ų199149.6 Ų149.687%0.87380%0.8SS**  trans-125.8134.8154.9-99.2-78.4000110S239S239-F241 PolarHBondContact O-N 3.43Å
242S36.1Very low39.8Very low91 Ų91151.1 Ų151.164%0.63681%0.805SS**  trans-59.8150.9-160.3-176.40000115.5
243R35.4Very low39.9Very low230 Ų230151 Ų15187%0.86881%0.809SS**  trans-49.3129162.4-61.2169.3-162.6159.24.6110.3
244F39.7Very low40.1Very low204 Ų204153.1 Ų153.190%0.89581%0.813SS**  trans-122.9113.9142.2-86-78.1000107.5
245S36.5Very low40Very low101 Ų101153.5 Ų153.571%0.70681%0.81SS**  trans-91.6130.1174.4163.50000107.7
246S42.4Very low39.9Very low109 Ų109152.3 Ų152.376%0.76281%0.807SS**  trans-163.193.9156.444.50000108.8
247N40.7Very low39.9Very low134 Ų134148.6 Ų148.672%0.71780%0.8SS**  trans28.5113.8133-60.14.2000116.6
248E36.5Very low39.7Very low176 Ų176152 Ų15282%0.82280%0.804SS**  61.2111.5100.6-74.8-172.9158.800113.7
249I39.6Very low39.7Very low159 Ų159145.6 Ų145.682%0.81579%0.79SS**  -163.9109.3123.4-84.3140.7000106T251I249-T251 HydrophobicContact CG2-CG2 4.35Å
250S33.8Very low39.7Very low121 Ų121147.3 Ų147.385%0.84679%0.791SS**  trans-80.7124.9163.2-68.50000108.2
251T42.9Very low39.7Very low124 Ų124148 Ų14876%0.76179%0.79SS**  trans-138.7106.915642.40000109.8I249I249-T251 HydrophobicContact CG2-CG2 4.35Å
252T34.1Very low39.8Very low135 Ų135146.8 Ų146.883%0.82879%0.792SS**  trans-64.813616341.40000110.8
253V45.7Very low39.9Very low147 Ų147147.8 Ų147.889%0.89180%0.799SS**  trans-143.9119.1149.6-95.90000109.3
254N41Very low39.9Very low147 Ų147141.8 Ų141.879%0.78680%0.799SS**  trans-58.3150.4171.8-81.2-31.6000111.7
255N41.7Very low39.9Very low155 Ų155137.4 Ų137.483%0.82979%0.793SS**  -169.7144.1108.4-89.3-26.5000113.4
256Q39.1Very low40.4Very low168 Ų168137.3 Ų137.379%0.78579%0.792SS**  trans-56.5150.7-175.9-64.7155.5-23.100114.2
257Q41.7Very low40.3Very low163 Ų163138.2 Ų138.276%0.76280%0.796SS**  175.9123.3105.7-93.3170.40.400111.3
258Q41.8Very low40.6Very low180 Ų180139.1 Ų139.184%0.84180%0.8SS**  trans50.7141.6131.1-60.9-177.68.100119.8
259A39.1Very low40.9Very low75 Ų75136.5 Ų136.562%0.6280%0.801SS**  cis-173.7170.2-7.300000106.9
260N44.6Very low41.2Very low143 Ų143140.1 Ų140.177%0.76580%0.804SS**  trans95.284.9157-52.1-21000118.5
261N39.7Very low42.2Very low147 Ų147143.4 Ų143.479%0.78680%0.804SS**  35.3118.9118.1-58.7-27000118
262L44.4Very low42.5Very low173 Ų173143.9 Ų143.991%0.90681%0.806SS**  -176125.9119.5-94.2165.7000111.9
263S38.2Very low43.6Very low113 Ų113143.3 Ų143.379%0.7980%0.803SS**  trans75.5110.1146.7-153.20000120.3
264A34.6Very low44.7Very low104 Ų104143 Ų14386%0.8680%0.795SS**  trans-59.1129.817000000112.4
265S40.7Very low46.4Very low112 Ų112145.5 Ų145.578%0.78380%0.799SS**  trans-137.9130.7154.6590000109.7
266S45.6Very low48Very low98 Ų98142 Ų14269%0.68578%0.779SS**  trans-17.6143179.554.50000119L268S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.49Å
267P40.1Very low50.1Low129 Ų129138.4 Ų138.484%0.83877%0.77SS**  trans-75.884.8173.733.7-31.7000109.6S269P267-S269 PolarHBondContact O-N 3.06Å
268L47.5Very low51.7Low152 Ų152135.2 Ų135.280%0.79677%0.771SS**  trans-66.8107.8165.7-157.675.4000107S266 R270S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.49Å; L268-R270 PolarHBondContact O-N 3.13Å
269S43.8Very low53.6Low121 Ų121132.3 Ų132.385%0.84676%0.762SS**  trans-35.2102.3-178-73.70000111.8P267 K271P267-S269 PolarHBondContact O-N 3.06Å; S269-K271 PolarHBondContact O-N 3.44Å
270R45.3Very low56Low236 Ų236130.4 Ų130.489%0.89174%0.744SS**  trans-69.9102.3-178.5-64.2-177.8-147.5157.37.4107.6L268 T272L268-R270 PolarHBondContact O-N 3.13Å; R270-T272 PolarHBondContact O-N 3.13Å
271K53.9Low57.9Low190 Ų190126.7 Ų126.783%0.82673%0.733SS**  trans-38.3127.5157-125.8165.2-178.3172.20107.5S269 T273S269-K271 PolarHBondContact O-N 3.44Å; K271-T273 VanDerWaalsContact C-N 3.31Å; K271-T273 PolarHBondContact O-N 3.3Å; K271-T273 PolarHBondContact O-OG1 3.32Å
272T50.7Low60.1Low134 Ų134125.9 Ų125.982%0.82272%0.723SS**  trans-51.19318048.40000110.2R270 I274R270-T272 PolarHBondContact O-N 3.13Å; T272-I274 PolarHBondContact O-N 2.62Å
273T56.3Low62.1Low122 Ų122119 Ų11975%0.74869%0.691SS**  trans-69.6104.5169.2-56.50000105.2K271 K275K271-T273 VanDerWaalsContact C-N 3.31Å; K271-T273 PolarHBondContact O-N 3.3Å; K271-T273 PolarHBondContact O-OG1 3.32Å; T273-K275 PolarHBondContact O-N 2.63Å
274I69.8Low64.4Low142 Ų142120 Ų12073%0.72868%0.677SS**  trans-49.9115.3170-60.6170.8000105.8T272 I276T272-I274 PolarHBondContact O-N 2.62Å; I274-I276 VanDerWaalsContact C-N 3.26Å; I274-I276 PolarHBondContact O-N 3.37Å
275K75.5Confident66.9Low199 Ų199123.7 Ų123.787%0.86567%0.669SS**  trans-6792.1176.9-71.5-173.1179.4-178.40106.9T273 P277T273-K275 PolarHBondContact O-N 2.63Å; K275-P277 WeakPolarHBondContact O-CD 3.27Å
276I75.5Confident69.1Low82 Ų82124.6 Ų124.642%0.42166%0.659SS.*  trans-65.1121.9173.1-60.3178.1000106.1I274 A278 F282I274-I276 VanDerWaalsContact C-N 3.26Å; I274-I276 PolarHBondContact O-N 3.37Å; I276-A278 PolarHBondContact O-N 3.43Å; I276-F282 HydrophobicContact CD1-CD1 3.54Å; I276-F282 HydrophobicContact CD1-CE1 3.85Å; I276-F282 HydrophobicContact CD1-CG 4.34Å; I276-F282 HydrophobicContact CG2-CD1 4.45Å
277P83.5Confident71Confident91 Ų91122.8 Ų122.859%0.59165%0.65SS**  trans-52.1140.4175.5-26.334.4000110.3K275 D279 S280K275-P277 WeakPolarHBondContact O-CD 3.27Å; P277-D279 PolarHBondContact O-N 2.65Å; P277-S280 WeakPolarHBondContact O-CB 3.35Å; P277-S280 PolarHBondContact O-N 3.12Å
278A75.8Confident73.1Confident96 Ų96124.1 Ų124.179%0.79364%0.639SS**THydrogen-bonded Turntrans-56.6-27.2179.600000112.1I276 A283I276-A278 PolarHBondContact O-N 3.43Å; A278-A283 VanDerWaalsContact O-CB 3.28Å; A278-A283 WeakPolarHBondContact O-CB 3.39Å
279D82.2Confident74.9Confident119 Ų119120.4 Ų120.464%0.63662%0.62SS**THydrogen-bonded Turntrans-9516.1176.9-158.621.5000114.1P277 R284P277-D279 PolarHBondContact O-N 2.65Å; D279-R284 PolarHBondContact O-NH1 3.3Å; D279-R284 IonicContact OD1-CZ 2.81Å; D279-R284 IonicContact OD1-NH1 2.63Å; D279-R284 PolarHBondContact OD1-NH1 2.84Å; D279-R284 IonicContact OD2-NH1 3.18Å
280S87.7Confident76.8Confident36 Ų36119.4 Ų119.425%0.25261%0.605SS.*SBendtrans-66.9143.3169.8176.60000110.5P277 F282 A283 R284P277-S280 WeakPolarHBondContact O-CB 3.35Å; P277-S280 PolarHBondContact O-N 3.12Å; S280-F282 PolarHBondContact O-N 3.25Å; S280-F282 PolarHBondContact OG-N 2.97Å; S280-A283 WeakPolarHBondContact O-CB 3.34Å; S280-A283 PolarHBondContact O-N 3.42Å; S280-R284 PolarHBondContact O-N 2.75Å
281A86.3Confident78.5Confident65 Ų65115.4 Ų115.454%0.53759%0.594SS.*Hα-helixtrans-51.4-32.7170.400000112.7R285A281-R285 WeakPolarHBondContact O-CB 3.19Å; A281-R285 PolarHBondContact O-N 2.68Å
282F85Confident79.3Confident130 Ų130108.8 Ų108.857%0.5757%0.571SS**Hα-helixtrans-67.3-45.7174.8-177.6-95.3000112.4I276 S280 R285 K286I276-F282 HydrophobicContact CD1-CD1 3.54Å; I276-F282 HydrophobicContact CD1-CE1 3.85Å; I276-F282 HydrophobicContact CD1-CG 4.34Å; I276-F282 HydrophobicContact CG2-CD1 4.45Å; S280-F282 PolarHBondContact O-N 3.25Å; S280-F282 PolarHBondContact OG-N 2.97Å; F282-R285 PolarHBondContact O-N 2.98Å; F282-K286 WeakPolarHBondContact O-CB 3.24Å; F282-K286 PolarHBondContact O-N 2.97Å
283A85.4Confident80Confident27 Ų27106.2 Ų106.222%0.22355%0.552CS.*Hα-helixtrans-63.5-43.2177.800000111.2A278 S280 K286 A287A278-A283 VanDerWaalsContact O-CB 3.28Å; A278-A283 WeakPolarHBondContact O-CB 3.39Å; S280-A283 WeakPolarHBondContact O-CB 3.34Å; S280-A283 PolarHBondContact O-N 3.42Å; A283-K286 PolarHBondContact O-N 2.89Å; A283-A287 WeakPolarHBondContact O-CB 3.22Å; A283-A287 PolarHBondContact O-N 2.83Å
284R86.8Confident80.4Confident134 Ų134105.9 Ų105.951%0.50654%0.542SS..Hα-helixtrans-60.8-45.7175.4-66.6-167-63.8-107.6-1.5112.4D279 S280 A287 Y288D279-R284 PolarHBondContact O-NH1 3.3Å; D279-R284 IonicContact OD1-CZ 2.81Å; D279-R284 IonicContact OD1-NH1 2.63Å; D279-R284 PolarHBondContact OD1-NH1 2.84Å; D279-R284 IonicContact OD2-NH1 3.18Å; S280-R284 PolarHBondContact O-N 2.75Å; R284-A287 PolarHBondContact O-N 2.69Å; R284-Y288 PolarHBondContact O-N 3.19Å
285R87Confident79.9Confident182 Ų182102.6 Ų102.669%0.68753%0.532SS*.Hα-helixtrans-61.4-45.5175.6-175175.9-178.1172.43.3111.8A281 F282 A287 Y288 D289A281-R285 WeakPolarHBondContact O-CB 3.19Å; A281-R285 PolarHBondContact O-N 2.68Å; F282-R285 PolarHBondContact O-N 2.98Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-A287 PolarHBondContact O-N 2.93Å; R285-Y288 PolarHBondContact O-N 2.75Å; R285-D289 PolarHBondContact O-N 3.33Å
286K87.2Confident79Confident132 Ų132101.8 Ų101.857%0.57452%0.523SS*.Hα-helixtrans-65.4-34.4179.8-163.7-105.1-173.8176.30112.3F282 A283 L290F282-K286 WeakPolarHBondContact O-CB 3.24Å; F282-K286 PolarHBondContact O-N 2.97Å; A283-K286 PolarHBondContact O-N 2.89Å; K286-L290 WeakPolarHBondContact O-CB 3.3Å; K286-L290 PolarHBondContact O-N 3.33Å; K286-L290 VanDerWaalsContact O-N 3.12Å
287A85.2Confident78Confident60 Ų60108.3 Ų108.350%0.49654%0.542SS..Hα-helixtrans-68.9-43.3173.100000112.3A283 R284 R285 L290 K291A283-A287 WeakPolarHBondContact O-CB 3.22Å; A283-A287 PolarHBondContact O-N 2.83Å; R284-A287 PolarHBondContact O-N 2.69Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-A287 PolarHBondContact O-N 2.93Å; A287-L290 PolarHBondContact O-N 2.88Å; A287-K291 PolarHBondContact O-N 2.84Å
288Y85.4Confident76.8Confident157 Ų157110.7 Ų110.762%0.61655%0.549SS*.Hα-helixtrans-60.3-47.9175-178.6-93000111.8R284 R285 L290 K291 C292R284-Y288 PolarHBondContact O-N 3.19Å; R285-Y288 PolarHBondContact O-N 2.75Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 2.72Å; Y288-K291 PolarHBondContact O-N 2.79Å; Y288-C292 VanDerWaalsContact CE1-SG 3.59Å; Y288-C292 VanDerWaalsContact CZ-SG 3.57Å; Y288-C292 PolarHBondContact O-N 3.11Å
289D85.6Confident75.6Confident74 Ų74110.6 Ų110.640%0.39654%0.543SS..Hα-helixtrans-61.8-37.7178-73.6-20000111.8R285 N293R285-D289 PolarHBondContact O-N 3.33Å; D289-N293 WeakPolarHBondContact O-CB 3.21Å; D289-N293 PolarHBondContact O-N 3.02Å; D289-N293 PolarHBondContact O-ND2 3.06Å
290L82Confident73.6Confident99 Ų99109.4 Ų109.452%0.51854%0.543SS..Hα-helixtrans-65.7-41.9176.6-164.371000111.5K286 A287 Y288 N293 Q294K286-L290 WeakPolarHBondContact O-CB 3.3Å; K286-L290 PolarHBondContact O-N 3.33Å; K286-L290 VanDerWaalsContact O-N 3.12Å; A287-L290 PolarHBondContact O-N 2.88Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 2.72Å; L290-N293 PolarHBondContact O-N 2.83Å; L290-Q294 PolarHBondContact O-N 3.01Å
291K81.6Confident71.8Confident152 Ų152112.9 Ų112.966%0.66156%0.563SS**Hα-helixtrans-65.7-47.6177-167174.6-178.1178.70111.5A287 Y288 N293 Q294 S295A287-K291 PolarHBondContact O-N 2.84Å; Y288-K291 PolarHBondContact O-N 2.79Å; K291-N293 VanDerWaalsContact C-N 3.34Å; K291-N293 PolarHBondContact O-N 3.03Å; K291-Q294 PolarHBondContact O-N 2.98Å; K291-S295 PolarHBondContact O-N 2.87Å; K291-S295 PolarHBondContact O-OG 3.47Å; K291-S295 VanDerWaalsContact O-OG 3.09Å
292C71.7Confident70Confident51 Ų51115.1 Ų115.135%0.34557%0.572SS.*Hα-helixtrans-64.4-35.7176.3-78.60000112.9Y288 S295 R296Y288-C292 VanDerWaalsContact CE1-SG 3.59Å; Y288-C292 VanDerWaalsContact CZ-SG 3.57Å; Y288-C292 PolarHBondContact O-N 3.11Å; C292-S295 PolarHBondContact O-N 2.72Å; C292-R296 WeakPolarHBondContact O-CB 3.5Å; C292-R296 PolarHBondContact O-N 2.94Å
293N65.4Low67.9Low81 Ų81117.3 Ų117.343%0.43358%0.584SS.*Hα-helixtrans-72.9-33175.7-77.6-42000112.7D289 L290 K291 R296 R297D289-N293 WeakPolarHBondContact O-CB 3.21Å; D289-N293 PolarHBondContact O-N 3.02Å; D289-N293 PolarHBondContact O-ND2 3.06Å; L290-N293 PolarHBondContact O-N 2.83Å; K291-N293 VanDerWaalsContact C-N 3.34Å; K291-N293 PolarHBondContact O-N 3.03Å; N293-R296 PolarHBondContact O-N 3.36Å; N293-R297 WeakPolarHBondContact O-CB 3.48Å; N293-R297 WeakPolarHBondContact O-CG 3.38Å; N293-R297 PolarHBondContact O-N 3.22Å
294Q64.4Low65.9Low115 Ų115126.9 Ų126.954%0.53761%0.614SS.*Hα-helixtrans-63.1-45.8170.2-84-179.9-10.500111L290 K291 R296 R297 L298L290-Q294 PolarHBondContact O-N 3.01Å; K291-Q294 PolarHBondContact O-N 2.98Å; Q294-R296 VanDerWaalsContact C-N 3.28Å; Q294-R296 PolarHBondContact O-N 2.75Å; Q294-R297 PolarHBondContact O-N 3.07Å; Q294-R297 VanDerWaalsContact O-N 3.12Å; Q294-L298 WeakPolarHBondContact O-CG 3.43Å; Q294-L298 PolarHBondContact O-N 2.69Å
295S59Low63.9Low73 Ų73127 Ų12751%0.5162%0.624SS.*Hα-helixtrans-58.8-40.1174.7-50.40000111.9K291 C292 L298 S299K291-S295 PolarHBondContact O-N 2.87Å; K291-S295 PolarHBondContact O-OG 3.47Å; K291-S295 VanDerWaalsContact O-OG 3.09Å; C292-S295 PolarHBondContact O-N 2.72Å; S295-L298 PolarHBondContact O-N 2.93Å; S295-S299 WeakPolarHBondContact O-CB 3.44Å; S295-S299 PolarHBondContact O-N 3.02Å; S295-S299 PolarHBondContact O-OG 3.06Å; S295-S299 VanDerWaalsContact O-OG 3.12Å
296R56Low61.6Low182 Ų182123.5 Ų123.569%0.68763%0.627SS**Hα-helixtrans-69.6-31.1177.1-164.2-176.8-68-154.90.4113.3C292 N293 Q294C292-R296 WeakPolarHBondContact O-CB 3.5Å; C292-R296 PolarHBondContact O-N 2.94Å; N293-R296 PolarHBondContact O-N 3.36Å; Q294-R296 VanDerWaalsContact C-N 3.28Å; Q294-R296 PolarHBondContact O-N 2.75Å
297R55.7Low59.6Low218 Ų218125.7 Ų125.782%0.82364%0.636SS**Hα-helixtrans-77.5-31.5175.9-79.5-174.1164.5-173.9-3.9112.7N293 Q294N293-R297 WeakPolarHBondContact O-CB 3.48Å; N293-R297 WeakPolarHBondContact O-CG 3.38Å; N293-R297 PolarHBondContact O-N 3.22Å; Q294-R297 PolarHBondContact O-N 3.07Å; Q294-R297 VanDerWaalsContact O-N 3.12Å
298L56.6Low57.3Low141 Ų141131.9 Ų131.974%0.73866%0.655SS**Hα-helixtrans-84-28.5176.9-64.5174.2000112.6Q294 S295 C300Q294-L298 WeakPolarHBondContact O-CG 3.43Å; Q294-L298 PolarHBondContact O-N 2.69Å; S295-L298 PolarHBondContact O-N 2.93Å; L298-C300 VanDerWaalsContact C-N 3.28Å; L298-C300 PolarHBondContact O-N 3.06Å
299S51.7Low55.1Low95 Ų95131.4 Ų131.466%0.66466%0.662SS**SBendtrans-82.8-1.7179.276.20000114.3S295S295-S299 WeakPolarHBondContact O-CB 3.44Å; S295-S299 PolarHBondContact O-N 3.02Å; S295-S299 PolarHBondContact O-OG 3.06Å; S295-S299 VanDerWaalsContact O-OG 3.12Å
300C39.4Very low52.9Low93 Ų93132.6 Ų132.663%0.62868%0.676SS**  trans-116.662.8178.2-157.60000108.9L298 P302L298-C300 VanDerWaalsContact C-N 3.28Å; L298-C300 PolarHBondContact O-N 3.06Å; C300-P302 VanDerWaalsContact O-CD 3.3Å; C300-P302 WeakPolarHBondContact O-CD 3.24Å
301T50.7Low50.8Low110 Ų110136.2 Ų136.268%0.67569%0.694SS**  trans-59.1118.6159.638.90000107.2H303T301-H303 PolarHBondContact O-N 2.79Å
302P47.8Very low48.9Very low112 Ų112134.6 Ų134.673%0.72770%0.697SS**  trans-67.3109.4165.328.6-26.9000104.7C300 R304C300-P302 VanDerWaalsContact O-CD 3.3Å; C300-P302 WeakPolarHBondContact O-CD 3.24Å; P302-R304 PolarHBondContact O-N 2.92Å
303H41.5Very low47.9Very low176 Ų176137.8 Ų137.882%0.81572%0.717SS**  trans-65.277.2165.2-123.4-44.7000107T301 I305T301-H303 PolarHBondContact O-N 2.79Å; H303-I305 VanDerWaalsContact C-N 3.29Å; H303-I305 PolarHBondContact O-N 2.96Å; H303-I305 VanDerWaalsContact O-N 3.1Å
304R42.9Very low47.2Very low227 Ų227139.7 Ų139.786%0.85773%0.734SS**  trans-79.291.6170.2-148.6-179-167.6-179.32.3104.3P302 S306P302-R304 PolarHBondContact O-N 2.92Å; R304-S306 PolarHBondContact O-N 2.9Å
305I45.4Very low46.4Very low138 Ų138143.4 Ų143.471%0.70875%0.749SS**  trans-64.591167.8-53169.2000105.2H303 K307H303-I305 VanDerWaalsContact C-N 3.29Å; H303-I305 PolarHBondContact O-N 2.96Å; H303-I305 VanDerWaalsContact O-N 3.1Å; I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 HydrophobicContact CG2-CG 4.24Å; I305-K307 PolarHBondContact O-N 3.45Å
306S38.5Very low45.7Very low108 Ų108148.4 Ų148.476%0.75577%0.769SS**  trans-70.489.1166.354.20000107.1R304 Q308R304-S306 PolarHBondContact O-N 2.9Å; S306-Q308 PolarHBondContact O-N 3.12Å
307K44Very low45.4Very low178 Ų178145.4 Ų145.477%0.77477%0.771SS**  trans-72.8103.3155.1-77.4-167.9176.3-172.20106.9I305 L309I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 HydrophobicContact CG2-CG 4.24Å; I305-K307 PolarHBondContact O-N 3.45Å; K307-L309 PolarHBondContact O-N 3Å
308Q37Very low45.1Very low190 Ų190141.1 Ų141.189%0.88877%0.769SS**  trans-40.498.7158.7-167.5177.81500110.1S306S306-Q308 PolarHBondContact O-N 3.12Å
309L40.7Very low44.9Very low147 Ų147140.5 Ų140.577%0.7777%0.771SS**  trans-149.3116.9165.4-109.4112.6000109.9K307K307-L309 PolarHBondContact O-N 3Å
310S38.4Very low45.1Very low98 Ų98142.6 Ų142.669%0.68577%0.773SS**  trans54.4110.815961.60000119.1T312S310-T312 PolarHBondContact O-N 2.69Å
311I38.1Very low45.8Very low175 Ų175149.5 Ų149.590%0.89779%0.786SS**  trans-44.1112.7158.4-61.3152.5000110.6
312T40.9Very low46.1Very low118 Ų118152.2 Ų152.272%0.72479%0.791SS**  trans-157.6128.5155.4140000108.7S310S310-T312 PolarHBondContact O-N 2.69Å
313P50.6Low46.7Very low118 Ų118151.1 Ų151.177%0.76678%0.779SS**PPolyproline II helixtrans-74.1130.1-17728.9-31.2000110.3K315P313-K315 PolarHBondContact O-N 3.1Å
314P50.8Low47.9Very low122 Ų122150.9 Ų150.979%0.79278%0.782SS**PPolyproline II helixtrans-76.1127.3178.329.8-30.2000110L316P314-L316 PolarHBondContact O-N 2.86Å
315K48.3Very low49.1Very low193 Ų193150.4 Ų150.484%0.83978%0.78SS**PPolyproline II helixtrans-46.8127.4171.8-78.3175.3174.7174.50111.1P313 T317P313-K315 PolarHBondContact O-N 3.1Å; K315-T317 PolarHBondContact O-N 3Å
316L44.9Very low49.7Very low177 Ų177149 Ų14993%0.92777%0.773SS**  trans-53.297.3169.2-70.8160.6000109.5P314P314-L316 PolarHBondContact O-N 2.86Å
317T50Low50.5Low119 Ų119148.9 Ų148.973%0.7377%0.77SS**  trans-101.1107.4166.241.80000107.4K315 V319K315-T317 PolarHBondContact O-N 3Å; T317-V319 PolarHBondContact O-N 3.19Å
318T48.7Very low51.4Low129 Ų129148.3 Ų148.379%0.79177%0.767SS**  trans-67.169.8-177.2-20.60000110.3I320T318-I320 VanDerWaalsContact C-N 3.29Å; T318-I320 PolarHBondContact O-N 3.07Å
319V51.7Low52.6Low127 Ų127144.7 Ų144.777%0.7776%0.76SS**  trans-78.690.9164.6-176.10000106.2T317 R321T317-V319 PolarHBondContact O-N 3.19Å; V319-R321 PolarHBondContact O-N 3.03Å
320I56.7Low53.1Low140 Ų140147 Ų14772%0.71876%0.764SS**  trans-49.5110.3174.5-62.2170.8000107.7T318 Q322T318-I320 VanDerWaalsContact C-N 3.29Å; T318-I320 PolarHBondContact O-N 3.07Å; I320-Q322 PolarHBondContact O-N 3.12Å; I320-Q322 VanDerWaalsContact O-N 3.08Å
321R53.3Low54.3Low238 Ų238146.8 Ų146.890%0.89876%0.758SS**  trans-62.9110.8170.6-81.5-179.2161.8-176-3.7107.1V319 D323V319-R321 PolarHBondContact O-N 3.03Å; R321-D323 PolarHBondContact O-N 3.12Å
322Q57.5Low55.7Low167 Ų167142.8 Ų142.878%0.7874%0.739SS**  trans-62.9123.4173.5-71-177.4-11.600109.1I320I320-Q322 PolarHBondContact O-N 3.12Å; I320-Q322 VanDerWaalsContact O-N 3.08Å
323D59.8Low57.3Low88 Ų88142.2 Ų142.247%0.47174%0.735SS.*  trans-65.6133.5177-169.8-9.3000109.8R321 R325 I326R321-D323 PolarHBondContact O-N 3.12Å; D323-R325 PolarHBondContact O-N 3.27Å; D323-R325 VanDerWaalsContact O-N 3.12Å; D323-R325 PolarHBondContact OD1-N 3.08Å; D323-I326 HydrophobicContact CB-CD1 4.18Å; D323-I326 HydrophobicContact CB-CG1 4.2Å; D323-I326 PolarHBondContact O-N 2.97Å; D323-I326 VanDerWaalsContact O-N 3.12Å
324I67.6Low58.5Low172 Ų172146.9 Ų146.988%0.88274%0.737SS**THydrogen-bonded Turntrans-64-18.5-178.9-56.7169.2000110.7I326I324-I326 VanDerWaalsContact C-N 3.33Å
325R67.2Low59.6Low217 Ų217148.4 Ų148.482%0.81973%0.727SS**THydrogen-bonded Turntrans-79-10.9178.2-58.4179.4-164.4-172.35.7114.1D323 P327D323-R325 PolarHBondContact O-N 3.27Å; D323-R325 VanDerWaalsContact O-N 3.12Å; D323-R325 PolarHBondContact OD1-N 3.08Å; R325-P327 WeakPolarHBondContact O-CD 3.35Å
326I58.3Low61Low109 Ų109142.4 Ų142.456%0.55970%0.704SS**SBendtrans-76.3112.4177.2-59.2170.2000107.9D323 I324 K328D323-I326 HydrophobicContact CB-CD1 4.18Å; D323-I326 HydrophobicContact CB-CG1 4.2Å; D323-I326 PolarHBondContact O-N 2.97Å; D323-I326 VanDerWaalsContact O-N 3.12Å; I324-I326 VanDerWaalsContact C-N 3.33Å; I326-K328 PolarHBondContact O-N 3.34Å
327P55.1Low62.8Low105 Ų105141.6 Ų141.668%0.68269%0.694SS**PPolyproline II helixtrans-62.4116.4175.525.6-31000108R325R325-P327 WeakPolarHBondContact O-CD 3.35Å
328K64.4Low64.3Low166 Ų166141.2 Ų141.272%0.72269%0.685SS**PPolyproline II helixtrans-55.7134.8169.4-74.9177.4179174.10107.6I326 F330I326-K328 PolarHBondContact O-N 3.34Å; K328-F330 PolarHBondContact O-N 2.92Å
329P61.2Low66Low113 Ų113139.4 Ų139.473%0.73467%0.667SS**PPolyproline II helixtrans-52.2122.9170.122.8-31.5000106.4V331P329-V331 VanDerWaalsContact C-N 3.32Å; P329-V331 PolarHBondContact O-N 2.91Å
330F52Low67.6Low196 Ų196139 Ų13986%0.8666%0.66SS**  trans-5298.8-173.2-72.9-88.4000108.9K328 N332K328-F330 PolarHBondContact O-N 2.92Å; F330-N332 VanDerWaalsContact C-N 3.3Å; F330-N332 PolarHBondContact O-N 3.49Å
331V64.2Low69Low93 Ų93134.7 Ų134.756%0.56464%0.643SS**  trans-63.7103.7169.9-177.10000103.5P329 V333 N336P329-V331 VanDerWaalsContact C-N 3.32Å; P329-V331 PolarHBondContact O-N 2.91Å; V331-V333 WeakPolarHBondContact O-CG2 3.5Å; V331-V333 PolarHBondContact O-N 3.05Å; V331-N336 VanDerWaalsContact CG1-ND2 3.25Å; V331-N336 WeakPolarHBondContact CG1-ND2 3.36Å
332N67.3Low70.7Confident91 Ų91127 Ų12749%0.48762%0.619SS.*  trans-72.880.8-173.1-148.2-20000106.4F330 R334 R335 N336F330-N332 VanDerWaalsContact C-N 3.3Å; F330-N332 PolarHBondContact O-N 3.49Å; N332-R334 PolarHBondContact O-N 3.43Å; N332-R335 HydrophobicContact CB-CB 3.94Å; N332-R335 WeakPolarHBondContact O-CA 3.35Å; N332-R335 WeakPolarHBondContact O-CB 3.45Å; N332-R335 PolarHBondContact O-N 3.46Å; N332-N336 PolarHBondContact O-N 2.92Å
333V74.2Confident72.2Confident107 Ų107123.1 Ų123.165%0.64860%0.603SS**Hα-helixtrans-53.3-35.6-167.1-179.20000110.8V331 K337V331-V333 WeakPolarHBondContact O-CG2 3.5Å; V331-V333 PolarHBondContact O-N 3.05Å; V333-K337 WeakPolarHBondContact O-CB 3.4Å; V333-K337 PolarHBondContact O-N 3.12Å
334R74.4Confident73.5Confident216 Ų216123 Ų12382%0.81561%0.608SS**Hα-helixtrans-65.6-41.4176.3-167.8176.5-176.8172.31.5112.7N332 M338N332-R334 PolarHBondContact O-N 3.43Å; R334-M338 WeakPolarHBondContact O-CB 3.49Å; R334-M338 PolarHBondContact O-N 3.37Å; R334-M338 VanDerWaalsContact O-N 3.1Å
335R75.1Confident74.7Confident153 Ų153121.3 Ų121.358%0.57759%0.594SS**Hα-helixtrans-67.2-49.4177.4-152-175.7-166.3120.80.1110.5N332 K337 M338 E339N332-R335 HydrophobicContact CB-CB 3.94Å; N332-R335 WeakPolarHBondContact O-CA 3.35Å; N332-R335 WeakPolarHBondContact O-CB 3.45Å; N332-R335 PolarHBondContact O-N 3.46Å; R335-K337 VanDerWaalsContact C-N 3.3Å; R335-K337 PolarHBondContact O-N 3.03Å; R335-M338 PolarHBondContact O-N 2.89Å; R335-M338 VanDerWaalsContact O-N 3.08Å; R335-E339 PolarHBondContact O-N 3.45Å
336N77.6Confident76Confident67 Ų67116.9 Ų116.936%0.35858%0.583SS.*Hα-helixtrans-60-39.6177.2-69.218.4000111.9V331 N332 L340V331-N336 VanDerWaalsContact CG1-ND2 3.25Å; V331-N336 WeakPolarHBondContact CG1-ND2 3.36Å; N332-N336 PolarHBondContact O-N 2.92Å; N336-L340 WeakPolarHBondContact O-CB 3.25Å; N336-L340 VanDerWaalsContact O-CG 3.27Å; N336-L340 WeakPolarHBondContact O-CG 3.46Å; N336-L340 PolarHBondContact O-N 3.44Å
337K81.7Confident77.6Confident161 Ų161116.1 Ų116.170%0.758%0.58SS**Hα-helixtrans-65.7-38.4176.9-171.2176.1-178.9-179.20112.1V333 R335 S341V333-K337 WeakPolarHBondContact O-CB 3.4Å; V333-K337 PolarHBondContact O-N 3.12Å; R335-K337 VanDerWaalsContact C-N 3.3Å; R335-K337 PolarHBondContact O-N 3.03Å; K337-S341 WeakPolarHBondContact O-CB 3.32Å; K337-S341 PolarHBondContact O-N 3.26Å; K337-S341 VanDerWaalsContact O-N 3.08Å
338M83.2Confident79.3Confident110 Ų110118.9 Ų118.954%0.54258%0.577SS.*Hα-helixtrans-69.1-44.4177.4-169.7175.172.500111.5R334 R335 S341 N342R334-M338 WeakPolarHBondContact O-CB 3.49Å; R334-M338 PolarHBondContact O-N 3.37Å; R334-M338 VanDerWaalsContact O-N 3.1Å; R335-M338 PolarHBondContact O-N 2.89Å; R335-M338 VanDerWaalsContact O-N 3.08Å; M338-S341 PolarHBondContact O-N 3.33Å; M338-S341 PolarHBondContact O-OG 3.29Å; M338-N342 PolarHBondContact O-N 2.89Å
339E83.8Confident80.6Confident92 Ų92116.7 Ų116.743%0.4357%0.572SS.*Hα-helixtrans-60.2-47.9176.1-73.8170.1-167.200111.6R335 S341 N342 I343R335-E339 PolarHBondContact O-N 3.45Å; E339-S341 VanDerWaalsContact C-N 3.27Å; E339-S341 PolarHBondContact O-N 2.97Å; E339-N342 PolarHBondContact O-N 3.18Å; E339-N342 VanDerWaalsContact O-N 3.09Å; E339-I343 WeakPolarHBondContact O-CG1 3.35Å; E339-I343 PolarHBondContact O-N 3.25Å
340L84.2Confident82.1Confident119 Ų119115.9 Ų115.962%0.62356%0.561SS**Hα-helixtrans-59.9-37.4175.1-73.5169.6000112.5N336 N342 C344N336-L340 WeakPolarHBondContact O-CB 3.25Å; N336-L340 VanDerWaalsContact O-CG 3.27Å; N336-L340 WeakPolarHBondContact O-CG 3.46Å; N336-L340 PolarHBondContact O-N 3.44Å; L340-N342 VanDerWaalsContact C-N 3.34Å; L340-C344 WeakPolarHBondContact O-CB 3.2Å; L340-C344 PolarHBondContact O-N 3.07Å
341S86.7Confident84Confident49 Ų49110.1 Ų110.134%0.34355%0.545SS..Hα-helixtrans-68.5-33.8176.577.10000112.8K337 M338 E339 K345K337-S341 WeakPolarHBondContact O-CB 3.32Å; K337-S341 PolarHBondContact O-N 3.26Å; K337-S341 VanDerWaalsContact O-N 3.08Å; M338-S341 PolarHBondContact O-N 3.33Å; M338-S341 PolarHBondContact O-OG 3.29Å; E339-S341 VanDerWaalsContact C-N 3.27Å; E339-S341 PolarHBondContact O-N 2.97Å; S341-K345 WeakPolarHBondContact O-CG 3.19Å; S341-K345 PolarHBondContact O-N 3.3Å; S341-K345 VanDerWaalsContact O-N 3.12Å
342N89Confident85.3Confident75 Ų75113.1 Ų113.140%0.40155%0.546SS..Hα-helixtrans-73-42.3177-72.6-16.9000111.4M338 E339 L340 C344 K345 Q346M338-N342 PolarHBondContact O-N 2.89Å; E339-N342 PolarHBondContact O-N 3.18Å; E339-N342 VanDerWaalsContact O-N 3.09Å; L340-N342 VanDerWaalsContact C-N 3.34Å; N342-C344 VanDerWaalsContact C-N 3.35Å; N342-C344 PolarHBondContact O-N 3.4Å; N342-K345 PolarHBondContact O-N 2.94Å; N342-Q346 PolarHBondContact O-N 3.26Å
343I89.2Confident86.5Confident87 Ų87117.4 Ų117.445%0.44656%0.555SS.*Hα-helixtrans-58.5-48.3173.9-66.1165.2000109.9E339 K345 Q346 D347E339-I343 WeakPolarHBondContact O-CG1 3.35Å; E339-I343 PolarHBondContact O-N 3.25Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-K345 PolarHBondContact O-N 2.98Å; I343-Q346 PolarHBondContact O-N 3.04Å; I343-Q346 VanDerWaalsContact O-N 3.13Å; I343-D347 PolarHBondContact O-N 3.32Å
344C87.9Confident87.2Confident86 Ų86116.8 Ų116.858%0.58155%0.548SS*.Hα-helixtrans-62-35.4178.9-173.80000113L340 N342 R348L340-C344 WeakPolarHBondContact O-CB 3.2Å; L340-C344 PolarHBondContact O-N 3.07Å; N342-C344 VanDerWaalsContact C-N 3.35Å; N342-C344 PolarHBondContact O-N 3.4Å; C344-R348 WeakPolarHBondContact O-CB 3.49Å; C344-R348 PolarHBondContact O-N 3.02Å
345K92.3Very high88Confident136 Ų136111.6 Ų111.659%0.59154%0.536SS*.Hα-helixtrans-67.3-43.3173.5-75.8175.2-179.3-177.80112S341 N342 I343 R348 L349S341-K345 WeakPolarHBondContact O-CG 3.19Å; S341-K345 PolarHBondContact O-N 3.3Å; S341-K345 VanDerWaalsContact O-N 3.12Å; N342-K345 PolarHBondContact O-N 2.94Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-K345 PolarHBondContact O-N 2.98Å; K345-R348 PolarHBondContact O-N 3.36Å; K345-L349 WeakPolarHBondContact O-CG 3.41Å; K345-L349 PolarHBondContact O-N 2.92Å; K345-L349 VanDerWaalsContact O-N 3.13Å
346Q93.1Very high88.7Confident123 Ų123107.4 Ų107.458%0.57553%0.527SS*.Hα-helixtrans-64.4-46.3177.6-75.3-179.1-2100111.6N342 I343 R348 L349 I350N342-Q346 PolarHBondContact O-N 3.26Å; I343-Q346 PolarHBondContact O-N 3.04Å; I343-Q346 VanDerWaalsContact O-N 3.13Å; Q346-R348 VanDerWaalsContact C-N 3.25Å; Q346-R348 PolarHBondContact O-N 2.9Å; Q346-L349 PolarHBondContact O-N 3.12Å; Q346-I350 WeakPolarHBondContact O-CG1 3.3Å; Q346-I350 PolarHBondContact O-N 2.93Å
347D92.1Very high89.2Confident93 Ų93106.2 Ų106.250%0.49752%0.52SS..Hα-helixtrans-57.8-39.3176.6-74.9-9000111.9I343 S351I343-D347 PolarHBondContact O-N 3.32Å; D347-S351 VanDerWaalsContact O-CB 3.28Å; D347-S351 WeakPolarHBondContact O-CB 3.19Å; D347-S351 PolarHBondContact O-N 3.09Å; D347-S351 PolarHBondContact O-OG 3.42Å
348R92.2Very high89.5Confident164 Ų164106 Ų10662%0.61952%0.52SS*.Hα-helixtrans-66.6-38.8176.9-168.5176.6-174.3178.51.3112.2C344 K345 Q346 R352C344-R348 WeakPolarHBondContact O-CB 3.49Å; C344-R348 PolarHBondContact O-N 3.02Å; K345-R348 PolarHBondContact O-N 3.36Å; Q346-R348 VanDerWaalsContact C-N 3.25Å; Q346-R348 PolarHBondContact O-N 2.9Å; R348-R352 WeakPolarHBondContact O-CG 3.35Å; R348-R352 PolarHBondContact O-N 2.91Å; R348-R352 VanDerWaalsContact O-N 3.09Å
349L92Very high89.5Confident119 Ų119107 Ų10762%0.62353%0.527SS*.Hα-helixtrans-68.2-45.1176.2-71172.8000111.4K345 Q346 S351 R352 R353K345-L349 WeakPolarHBondContact O-CG 3.41Å; K345-L349 PolarHBondContact O-N 2.92Å; K345-L349 VanDerWaalsContact O-N 3.13Å; Q346-L349 PolarHBondContact O-N 3.12Å; L349-S351 PolarHBondContact O-N 3.36Å; L349-R352 PolarHBondContact O-N 3.19Å; L349-R353 PolarHBondContact O-N 3.28Å
350I92.4Very high89.5Confident97 Ų97111.6 Ų111.650%0.49754%0.541SS..Hα-helixtrans-61.8-44.8177-65.6166000110.3Q346 R352 R353 L354Q346-I350 WeakPolarHBondContact O-CG1 3.3Å; Q346-I350 PolarHBondContact O-N 2.93Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.42Å; I350-R353 PolarHBondContact O-N 3.38Å; I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 HydrophobicContact CG2-CG 4.36Å; I350-L354 WeakPolarHBondContact O-CG 3.44Å; I350-L354 PolarHBondContact O-N 2.96Å
351S92Very high88.9Confident74 Ų74109.3 Ų109.352%0.51755%0.546SS..Hα-helixtrans-62.6-39.3178-59.60000112.5D347 L349 L355D347-S351 VanDerWaalsContact O-CB 3.28Å; D347-S351 WeakPolarHBondContact O-CB 3.19Å; D347-S351 PolarHBondContact O-N 3.09Å; D347-S351 PolarHBondContact O-OG 3.42Å; L349-S351 PolarHBondContact O-N 3.36Å; S351-L355 WeakPolarHBondContact O-CB 3.39Å; S351-L355 PolarHBondContact O-N 2.94Å
352R91.3Very high87.3Confident157 Ų157115.2 Ų115.259%0.59257%0.572SS**Hα-helixtrans-65.5-42.4174.1-80.5-177.6171.7-161-4.3111.7R348 L349 I350 L355 V356R348-R352 WeakPolarHBondContact O-CG 3.35Å; R348-R352 PolarHBondContact O-N 2.91Å; R348-R352 VanDerWaalsContact O-N 3.09Å; L349-R352 PolarHBondContact O-N 3.19Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.42Å; R352-L355 PolarHBondContact O-N 2.85Å; R352-V356 WeakPolarHBondContact O-CG2 3.34Å; R352-V356 PolarHBondContact O-N 3.04Å
353R91.2Very high87.3Confident180 Ų180117.2 Ų117.268%0.67958%0.581SS**Hα-helixtrans-62.1-49.4176.8-173.1175179.9175.42.4111.2L349 I350 L355 V356 D357L349-R353 PolarHBondContact O-N 3.28Å; I350-R353 PolarHBondContact O-N 3.38Å; R353-L355 PolarHBondContact O-N 2.77Å; R353-V356 PolarHBondContact O-N 3.26Å; R353-D357 WeakPolarHBondContact CG-OD2 3.43Å; R353-D357 IonicContact NE-OD2 3.98Å; R353-D357 WeakPolarHBondContact O-CB 3.49Å; R353-D357 VanDerWaalsContact O-CG 3.24Å; R353-D357 PolarHBondContact O-N 2.73Å
354L90.6Very high87.2Confident95 Ų95118.8 Ų118.850%0.49759%0.588SS.*Hα-helixtrans-58.6-34.1175.6-73.4172.1000113I350 K358I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 HydrophobicContact CG2-CG 4.36Å; I350-L354 WeakPolarHBondContact O-CG 3.44Å; I350-L354 PolarHBondContact O-N 2.96Å; L354-K358 WeakPolarHBondContact O-CB 3.17Å; L354-K358 VanDerWaalsContact O-CG 3.24Å; L354-K358 WeakPolarHBondContact O-CG 3.28Å; L354-K358 PolarHBondContact O-N 2.96Å
355L90.8Very high87.1Confident107 Ų107120.6 Ų120.656%0.5659%0.588SS**Hα-helixtrans-70.6-40.3175.5-172.865.2000111.9S351 R352 R353 N359S351-L355 WeakPolarHBondContact O-CB 3.39Å; S351-L355 PolarHBondContact O-N 2.94Å; R352-L355 PolarHBondContact O-N 2.85Å; R353-L355 PolarHBondContact O-N 2.77Å; L355-N359 PolarHBondContact O-N 2.68Å; L355-N359 VanDerWaalsContact O-N 3.11Å; L355-N359 PolarHBondContact O-ND2 3.33Å
356V89.6Confident86.8Confident65 Ų65119.7 Ų119.739%0.39459%0.588SS.*Hα-helixtrans-67-42.8175.2172.40000111.1R352 R353 N359 R360R352-V356 WeakPolarHBondContact O-CG2 3.34Å; R352-V356 PolarHBondContact O-N 3.04Å; R353-V356 PolarHBondContact O-N 3.26Å; V356-N359 PolarHBondContact O-N 3.49Å; V356-R360 HydrophobicContact CG1-CG 4.49Å; V356-R360 WeakPolarHBondContact O-CG 3.35Å; V356-R360 PolarHBondContact O-N 2.82Å
357D88.5Confident86.4Confident41 Ų41119.5 Ų119.522%0.21959%0.589CS.*Hα-helixtrans-63.4-44.4179.1-66.1-17.7000110.5R353 N359 R360 G361 L362R353-D357 WeakPolarHBondContact CG-OD2 3.43Å; R353-D357 IonicContact NE-OD2 3.98Å; R353-D357 WeakPolarHBondContact O-CB 3.49Å; R353-D357 VanDerWaalsContact O-CG 3.24Å; R353-D357 PolarHBondContact O-N 2.73Å; D357-N359 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 2.99Å; D357-R360 CarbonylContact O-C 3.55Å; D357-R360 WeakPolarHBondContact O-CA 3.42Å; D357-R360 PolarHBondContact O-N 3.06Å; D357-G361 PolarHBondContact O-N 2.89Å; D357-G361 VanDerWaalsContact O-N 3.08Å; D357-L362 HydrophobicContact CB-CB 4.1Å; D357-L362 PolarHBondContact O-N 2.86Å
358K86.6Confident86Confident157 Ų157121.3 Ų121.368%0.68360%0.595SS**Hα-helixtrans-58-39.9171.8-78.4179.2-179.8-172.10113.4L354 R360 G361L354-K358 WeakPolarHBondContact O-CB 3.17Å; L354-K358 VanDerWaalsContact O-CG 3.24Å; L354-K358 WeakPolarHBondContact O-CG 3.28Å; L354-K358 PolarHBondContact O-N 2.96Å; K358-R360 VanDerWaalsContact C-N 3.27Å; K358-R360 PolarHBondContact O-N 3.45Å; K358-G361 PolarHBondContact O-N 3.05Å
359N83.8Confident85.6Confident130 Ų130118.2 Ų118.270%0.69559%0.593SS**Hα-helixtrans-73.2-20.3177.7-68.5-14.9000112.7L355 V356 D357L355-N359 PolarHBondContact O-N 2.68Å; L355-N359 VanDerWaalsContact O-N 3.11Å; L355-N359 PolarHBondContact O-ND2 3.33Å; V356-N359 PolarHBondContact O-N 3.49Å; D357-N359 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 2.99Å
360R83.3Confident85.1Confident190 Ų190118.2 Ų118.272%0.71759%0.591SS**Hα-helixtrans-90.1-4.8174.2-71.7177.6175.9-169.3-3.3113.2V356 D357 K358 L362V356-R360 HydrophobicContact CG1-CG 4.49Å; V356-R360 WeakPolarHBondContact O-CG 3.35Å; V356-R360 PolarHBondContact O-N 2.82Å; D357-R360 CarbonylContact O-C 3.55Å; D357-R360 WeakPolarHBondContact O-CA 3.42Å; D357-R360 PolarHBondContact O-N 3.06Å; K358-R360 VanDerWaalsContact C-N 3.27Å; K358-R360 PolarHBondContact O-N 3.45Å; R360-L362 HydrophobicContact CB-CD1 4.46Å; R360-L362 HydrophobicContact CB-CG 4.47Å
361G71.3Confident84.5Confident71 Ų71119.9 Ų119.973%0.73260%0.599SS**THydrogen-bonded Turntrans74.125.7-175.700000114D357 K358D357-G361 PolarHBondContact O-N 2.89Å; D357-G361 VanDerWaalsContact O-N 3.08Å; K358-G361 PolarHBondContact O-N 3.05Å
362L54.9Low83.8Confident172 Ų172124.1 Ų124.190%0.90161%0.606SS**  trans-94.50174-71172.2000112.7D357 R360D357-L362 HydrophobicContact CB-CB 4.1Å; D357-L362 PolarHBondContact O-N 2.86Å; R360-L362 HydrophobicContact CB-CD1 4.46Å; R360-L362 HydrophobicContact CB-CG 4.47Å

Retrieved 362 of 362 residues in 186.4 ms (Link to these results)