A0A5K4F4G8_SCHMA Loading...

WW domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4G8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 756 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
1M44.7Very low68.1Low239 Ų239115.5 Ų115.5100%1.17762%0.616SS**  01220-83.4177.380.900107.1K3M1-K3 PolarHBondContact O-N 3.5Å
2L55Low67.2Low141 Ų141119.8 Ų119.874%0.73864%0.636SS**  trans-61.2123.4166.5-71.4161.2000106.9A4L2-A4 VanDerWaalsContact C-N 3.27Å; L2-A4 PolarHBondContact O-N 3.43Å
3K72.7Confident67.4Low180 Ų180120.6 Ų120.678%0.78364%0.64SS**  trans-82.280.1-179.2-168.1-179.1-179-176.10107.7M1M1-K3 PolarHBondContact O-N 3.5Å
4A78.3Confident68.1Low45 Ų45123 Ų12337%0.37265%0.646SS.*PPolyproline II helixtrans-79.4131.9171.900000109.3L2 L56 K57 F64L2-A4 VanDerWaalsContact C-N 3.27Å; L2-A4 PolarHBondContact O-N 3.43Å; A4-L56 HydrophobicContact CB-CB 4.44Å; A4-L56 HydrophobicContact CB-CD1 4.49Å; A4-K57 VanDerWaalsContact CA-O 3.28Å; A4-K57 WeakPolarHBondContact CA-O 3.42Å; A4-F64 HydrophobicContact CB-CE1 4.48Å; A4-F64 HydrophobicContact CB-CZ 4.13Å
5V83.9Confident69.1Low87 Ų87115.9 Ų115.953%0.52761%0.61SS.*EExtended strand (participates in β ladder)trans-97.4126.3174.4179.20000107.8L7 K57V5-L7 PolarHBondContact O-N 3.39Å; V5-K57 PolarHBondContact N-O 3.22Å; V5-K57 PolarHBondContact O-N 3.5Å
6L83.1Confident70.3Confident102 Ų102113.6 Ų113.653%0.53460%0.602SS.*EExtended strand (participates in β ladder)trans-68.4120.3171.4-174.571.9000109Q54 L56L6-Q54 HydrophobicContact CD1-CB 3.78Å; L6-Q54 HydrophobicContact CD1-CG 4.06Å; L6-L56 HydrophobicContact CB-CD2 4.11Å; L6-L56 HydrophobicContact CD1-CD2 3.63Å; L6-L56 HydrophobicContact CG-CD2 4.49Å
7L80.4Confident71.4Confident63 Ų63113.4 Ų113.433%0.3360%0.597SS.*EExtended strand (participates in β ladder)trans-87.2126.8171.1-77.6148.2000107.7V5 V55 K57 I63V5-L7 PolarHBondContact O-N 3.39Å; L7-V55 HydrophobicContact CB-CB 4.09Å; L7-V55 HydrophobicContact CB-CG1 4.09Å; L7-V55 HydrophobicContact CD1-CG1 3.81Å; L7-V55 PolarHBondContact N-O 3.27Å; L7-K57 HydrophobicContact CD1-CB 3.63Å; L7-K57 HydrophobicContact CD1-CD 4.27Å; L7-K57 HydrophobicContact CD1-CG 4.2Å; L7-K57 HydrophobicContact CG-CB 4.23Å; L7-I63 HydrophobicContact CD1-CG1 4.11Å
8E72.3Confident72.5Confident185 Ų185112.7 Ų112.786%0.86459%0.594SS**PPolyproline II helixtrans-72.8129.6169.6-168.8163.9-161.800108.3S10E8-S10 PolarHBondContact O-N 3.21Å
9E65.5Low73.5Confident92 Ų92111.8 Ų111.843%0.4359%0.586SS.*  trans-67.799176.3-175.3180-178.400108.2A11 H48 L49E9-A11 PolarHBondContact O-N 3.21Å; E9-H48 IonicContact OE1-CD2 3.89Å; E9-L49 PolarHBondContact OE1-N 2.98Å
10S57.4Low74.4Confident92 Ų92106.4 Ų106.464%0.64356%0.558SS**  trans-74.675.3165.956.30000108.3E8 I12E8-S10 PolarHBondContact O-N 3.21Å; S10-I12 PolarHBondContact O-N 3.34Å
11A56.4Low75.3Confident45 Ų45104.3 Ų104.337%0.37255%0.546SS..  trans-59.9133.5165.300000107.9E9E9-A11 PolarHBondContact O-N 3.21Å
12I56.6Low77.6Confident167 Ų16798.7 Ų98.786%0.85652%0.52SS*.  trans95.640.9177.2-38.3146.3000115.4S10S10-I12 PolarHBondContact O-N 3.34Å
13D69.6Low79.4Confident130 Ų13093.3 Ų93.370%0.69549%0.49SS*.  trans-105.9122.2149.1-71.6-40.7000107.7
14E77.1Confident80.4Confident154 Ų15484.7 Ų84.772%0.7245%0.453SS*.PPolyproline II helixtrans-61.8125.1173.2-177.3170.5-167.900108K42E14-K42 IonicContact OE1-NZ 2.83Å; E14-K42 PolarHBondContact OE1-NZ 3.38Å
15P83.1Confident81.1Confident17 Ų1789.2 Ų89.211%0.1147%0.466CS..PPolyproline II helixtrans-64.7141-174.928.4-37.5000110.2V20 K42 I45 S46P15-V20 HydrophobicContact CB-CG2 4.01Å; P15-V20 HydrophobicContact CG-CG2 4.02Å; P15-K42 HydrophobicContact CG-CG 4.18Å; P15-I45 HydrophobicContact CB-CD1 4.22Å; P15-I45 HydrophobicContact CB-CG2 3.65Å; P15-I45 HydrophobicContact CG-CG2 3.69Å; P15-S46 WeakPolarHBondContact CD-OG 3.19Å; P15-S46 WeakPolarHBondContact CG-OG 3.47Å
16T88.2Confident81.4Confident78 Ų7887.8 Ų87.848%0.47946%0.46SS..PPolyproline II helixtrans-70.1149175.4-53.20000109.6D18 E19 V20T16-D18 HydrophobicContact CG2-CB 4.4Å; T16-D18 PolarHBondContact O-N 3.29Å; T16-E19 PolarHBondContact N-OE2 3.22Å; T16-E19 WeakPolarHBondContact O-CB 3.42Å; T16-E19 PolarHBondContact O-N 3.17Å; T16-V20 PolarHBondContact O-N 3.42Å
17E89.7Confident81.8Confident110 Ų11083.4 Ų83.451%0.51444%0.437SS..Hα-helixtrans-54.4-38.2178-168.563.1-153.700112.1E19 V20 M21E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.37Å; E17-V20 WeakPolarHBondContact O-CB 3.37Å; E17-V20 PolarHBondContact O-N 3.4Å; E17-M21 WeakPolarHBondContact O-CG 3.28Å; E17-M21 PolarHBondContact O-N 3.47Å
18D91Very high82.4Confident101 Ų10182.5 Ų82.554%0.5444%0.443SS..Hα-helixtrans-61.8-39176.2-64.5-23.7000112.8T16 M21 L22T16-D18 HydrophobicContact CG2-CB 4.4Å; T16-D18 PolarHBondContact O-N 3.29Å; D18-M21 HydrophobicContact CB-CE 4.4Å; D18-M21 PolarHBondContact O-N 3.17Å; D18-M21 WeakPolarHBondContact OD1-CE 3.32Å; D18-L22 WeakPolarHBondContact O-CG 3.5Å; D18-L22 PolarHBondContact O-N 2.76Å
19E91Very high83.3Confident96 Ų9673.9 Ų73.945%0.44940%0.403SS..Hα-helixtrans-69.8-38.8176.9-61.9173.5139.500110.8T16 E17 M21 L22 Y23 I45T16-E19 PolarHBondContact N-OE2 3.22Å; T16-E19 WeakPolarHBondContact O-CB 3.42Å; T16-E19 PolarHBondContact O-N 3.17Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.37Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-L22 PolarHBondContact O-N 2.84Å; E19-Y23 WeakPolarHBondContact O-CB 3.43Å; E19-Y23 PolarHBondContact O-N 3.38Å; E19-I45 HydrophobicContact CB-CD1 3.69Å
20V93.1Very high84.5Confident3 Ų372.1 Ų72.12%0.01840%0.396CS..Hα-helixtrans-62.3-42173.7177.60000110.7P15 T16 E17 Y23 A24 A41 K42 I45P15-V20 HydrophobicContact CB-CG2 4.01Å; P15-V20 HydrophobicContact CG-CG2 4.02Å; T16-V20 PolarHBondContact O-N 3.42Å; E17-V20 WeakPolarHBondContact O-CB 3.37Å; E17-V20 PolarHBondContact O-N 3.4Å; V20-Y23 PolarHBondContact O-N 3.19Å; V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 3.3Å; V20-A41 HydrophobicContact CG1-CB 4.05Å; V20-K42 HydrophobicContact CG1-CB 4.15Å; V20-K42 HydrophobicContact CG2-CB 4.22Å; V20-K42 HydrophobicContact CG2-CG 4.32Å; V20-I45 HydrophobicContact CG2-CG2 4.29Å
21M93.1Very high86.1Confident64 Ų6469.6 Ų69.632%0.31538%0.376SS..Hα-helixtrans-64.6-45.7177.1-71.1-168.8-62.900112.3E17 D18 E19 Y23 A24 E25 V31E17-M21 WeakPolarHBondContact O-CG 3.28Å; E17-M21 PolarHBondContact O-N 3.47Å; D18-M21 HydrophobicContact CB-CE 4.4Å; D18-M21 PolarHBondContact O-N 3.17Å; D18-M21 WeakPolarHBondContact OD1-CE 3.32Å; E19-M21 VanDerWaalsContact C-N 3.34Å; M21-Y23 VanDerWaalsContact C-N 3.33Å; M21-Y23 PolarHBondContact O-N 3.39Å; M21-A24 WeakPolarHBondContact O-CB 3.42Å; M21-A24 PolarHBondContact O-N 3.44Å; M21-E25 PolarHBondContact O-N 2.99Å; M21-V31 HydrophobicContact CB-CG1 4.4Å; M21-V31 HydrophobicContact CB-CG2 4.26Å; M21-V31 HydrophobicContact CG-CG1 3.75Å; M21-V31 HydrophobicContact CG-CG2 4.44Å; M21-V31 HydrophobicContact SD-CG1 3.76Å
22L91.9Very high87.5Confident120 Ų12075.5 Ų75.563%0.62840%0.396SS*.Hα-helixtrans-62.4-42176.9-72171.7000111.7D18 E19 E25 S26D18-L22 WeakPolarHBondContact O-CG 3.5Å; D18-L22 PolarHBondContact O-N 2.76Å; E19-L22 PolarHBondContact O-N 2.84Å; L22-E25 PolarHBondContact O-N 3.23Å; L22-S26 PolarHBondContact O-N 3.1Å; L22-S26 VanDerWaalsContact O-N 3.1Å
23Y92.9Very high89Confident28 Ų2875.1 Ų75.111%0.1139%0.388CS..Hα-helixtrans-69.3-37.4176.5-176.8-109.8000111.9E19 V20 M21 E25 S26 L27 A41 I45 D80E19-Y23 WeakPolarHBondContact O-CB 3.43Å; E19-Y23 PolarHBondContact O-N 3.38Å; V20-Y23 PolarHBondContact O-N 3.19Å; M21-Y23 VanDerWaalsContact C-N 3.33Å; M21-Y23 PolarHBondContact O-N 3.39Å; Y23-E25 VanDerWaalsContact C-N 3.33Å; Y23-E25 PolarHBondContact O-N 3.48Å; Y23-S26 WeakPolarHBondContact CD2-OG 3.46Å; Y23-S26 WeakPolarHBondContact O-CB 3.35Å; Y23-S26 PolarHBondContact O-N 3.43Å; Y23-S26 VanDerWaalsContact O-N 3.1Å; Y23-S26 PolarHBondContact O-OG 2.88Å; Y23-L27 HydrophobicContact CD1-CD1 4.02Å; Y23-L27 HydrophobicContact CD1-CG 4.4Å; Y23-L27 HydrophobicContact CE1-CD1 3.48Å; Y23-L27 VanDerWaalsContact CE1-CD1 3.48Å; Y23-L27 HydrophobicContact CE1-CD2 4.44Å; Y23-L27 HydrophobicContact CE1-CG 3.97Å; Y23-L27 HydrophobicContact CE2-CG 4.47Å; Y23-L27 PolarHBondContact O-N 2.91Å; Y23-A41 HydrophobicContact CD1-CB 3.95Å; Y23-A41 WeakPolarHBondContact CD1-O 3.31Å; Y23-A41 WeakPolarHBondContact CE1-O 3.48Å; Y23-I45 HydrophobicContact CD1-CB 4.01Å; Y23-I45 HydrophobicContact CE1-CB 4.44Å; Y23-I45 HydrophobicContact CG-CB 4.23Å; Y23-D80 WeakPolarHBondContact CE2-OD1 3.39Å; Y23-D80 PolarHBondContact OH-OD1 3.07Å
24A93.7Very high90Very high0 Ų070.8 Ų70.80%036%0.364CS..Hα-helixtrans-58.5-44.117300000111.7V20 M21 S26 L27 G28 I29 V31 L38 A41V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 3.3Å; M21-A24 WeakPolarHBondContact O-CB 3.42Å; M21-A24 PolarHBondContact O-N 3.44Å; A24-S26 VanDerWaalsContact C-N 3.31Å; A24-S26 PolarHBondContact O-N 3.34Å; A24-L27 PolarHBondContact O-N 3.07Å; A24-G28 PolarHBondContact O-N 3.35Å; A24-G28 VanDerWaalsContact O-N 3.11Å; A24-I29 HydrophobicContact CB-CB 4.09Å; A24-I29 HydrophobicContact CB-CD1 4.4Å; A24-I29 HydrophobicContact CB-CG2 4.46Å; A24-I29 WeakPolarHBondContact O-CB 3.47Å; A24-I29 PolarHBondContact O-N 2.8Å; A24-V31 HydrophobicContact CB-CG2 4.24Å; A24-L38 HydrophobicContact CB-CD2 3.58Å; A24-A41 HydrophobicContact CB-CB 3.69Å
25E92.5Very high90.6Very high140 Ų14069.6 Ų69.665%0.65436%0.359SS*.Hα-helixtrans-60-42.1173.6-173.1177.7-170.600111.2M21 L22 Y23 L27 G28M21-E25 PolarHBondContact O-N 2.99Å; L22-E25 PolarHBondContact O-N 3.23Å; Y23-E25 VanDerWaalsContact C-N 3.33Å; Y23-E25 PolarHBondContact O-N 3.48Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 3.27Å; E25-G28 WeakPolarHBondContact O-CA 3.43Å; E25-G28 PolarHBondContact O-N 3.32Å
26S91.4Very high90.9Very high57 Ų5774.8 Ų74.840%0.39939%0.385SS..Hα-helixtrans-63-35.1177.884.50000113.5L22 Y23 A24 G28 R84L22-S26 PolarHBondContact O-N 3.1Å; L22-S26 VanDerWaalsContact O-N 3.1Å; Y23-S26 WeakPolarHBondContact CD2-OG 3.46Å; Y23-S26 WeakPolarHBondContact O-CB 3.35Å; Y23-S26 PolarHBondContact O-N 3.43Å; Y23-S26 VanDerWaalsContact O-N 3.1Å; Y23-S26 PolarHBondContact O-OG 2.88Å; A24-S26 VanDerWaalsContact C-N 3.31Å; A24-S26 PolarHBondContact O-N 3.34Å; S26-G28 VanDerWaalsContact C-N 3.25Å; S26-G28 PolarHBondContact O-N 3.17Å; S26-R84 VanDerWaalsContact O-CZ 3.29Å; S26-R84 PolarHBondContact O-NH1 3.48Å; S26-R84 PolarHBondContact O-NH2 3.21Å
27L92.1Very high91Very high10 Ų1071.7 Ų71.75%0.05237%0.366CS..Hα-helixtrans-75.3-14.5173.5-68-179.4000112.7Y23 A24 E25 I29 A41 D80 F83 R84Y23-L27 HydrophobicContact CD1-CD1 4.02Å; Y23-L27 HydrophobicContact CD1-CG 4.4Å; Y23-L27 HydrophobicContact CE1-CD1 3.48Å; Y23-L27 VanDerWaalsContact CE1-CD1 3.48Å; Y23-L27 HydrophobicContact CE1-CD2 4.44Å; Y23-L27 HydrophobicContact CE1-CG 3.97Å; Y23-L27 HydrophobicContact CE2-CG 4.47Å; Y23-L27 PolarHBondContact O-N 2.91Å; A24-L27 PolarHBondContact O-N 3.07Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 3.27Å; L27-I29 HydrophobicContact CB-CD1 4.42Å; L27-I29 HydrophobicContact CB-CG1 4.35Å; L27-I29 HydrophobicContact CD1-CD1 4.36Å; L27-A41 HydrophobicContact CD1-CB 4.39Å; L27-D80 HydrophobicContact CD2-CB 4.5Å; L27-F83 HydrophobicContact CD1-CB 4.09Å; L27-F83 HydrophobicContact CD2-CB 4.16Å; L27-R84 HydrophobicContact CD2-CG 3.71Å
28G91.5Very high91.2Very high43 Ų4367.5 Ų67.544%0.44335%0.347SS..THydrogen-bonded Turntrans84.925.1-176.900000113.8A24 E25 S26 R91A24-G28 PolarHBondContact O-N 3.35Å; A24-G28 VanDerWaalsContact O-N 3.11Å; E25-G28 WeakPolarHBondContact O-CA 3.43Å; E25-G28 PolarHBondContact O-N 3.32Å; S26-G28 VanDerWaalsContact C-N 3.25Å; S26-G28 PolarHBondContact O-N 3.17Å; G28-R91 PolarHBondContact O-NH2 3.36Å
29I92.1Very high91.3Very high5 Ų569.1 Ų69.13%0.02635%0.351CS..  trans-84.5130.7171.1-59.1170.9000108.3A24 L27 V31 E34 L37 L38 A41 V87A24-I29 HydrophobicContact CB-CB 4.09Å; A24-I29 HydrophobicContact CB-CD1 4.4Å; A24-I29 HydrophobicContact CB-CG2 4.46Å; A24-I29 WeakPolarHBondContact O-CB 3.47Å; A24-I29 PolarHBondContact O-N 2.8Å; L27-I29 HydrophobicContact CB-CD1 4.42Å; L27-I29 HydrophobicContact CB-CG1 4.35Å; L27-I29 HydrophobicContact CD1-CD1 4.36Å; I29-V31 PolarHBondContact O-N 3.25Å; I29-E34 HydrophobicContact CG2-CB 4.01Å; I29-L37 HydrophobicContact CD1-CB 4.33Å; I29-L37 HydrophobicContact CG2-CB 4Å; I29-L38 HydrophobicContact CG2-CD2 4.37Å; I29-A41 HydrophobicContact CD1-CB 4.2Å; I29-V87 HydrophobicContact CD1-CG2 3.6Å; I29-V87 HydrophobicContact CG1-CG1 3.96Å; I29-V87 HydrophobicContact CG1-CG2 3.7Å
30D90.6Very high91.4Very high54 Ų5465.6 Ų65.629%0.28934%0.335SS..  trans-81.2108.4174.1-174.9-25.7000109.2E32 K33 E34D30-E32 PolarHBondContact O-N 3.32Å; D30-E32 PolarHBondContact OD1-N 2.97Å; D30-E32 VanDerWaalsContact OD1-N 3.08Å; D30-K33 HydrophobicContact CB-CB 4.16Å; D30-K33 PolarHBondContact O-N 3.1Å; D30-K33 PolarHBondContact OD1-N 3.4Å; D30-K33 WeakPolarHBondContact OD2-CD 3.46Å; D30-K33 VanDerWaalsContact OD2-CG 3.3Å; D30-K33 WeakPolarHBondContact OD2-CG 3.27Å; D30-K33 IonicContact OD2-NZ 2.88Å; D30-K33 PolarHBondContact OD2-NZ 2.87Å; D30-E34 HydrophobicContact CB-CG 4.49Å; D30-E34 PolarHBondContact N-OE2 3.46Å; D30-E34 WeakPolarHBondContact O-CA 3.36Å; D30-E34 WeakPolarHBondContact O-CB 3.49Å; D30-E34 PolarHBondContact O-N 2.86Å
31V90.1Very high91.4Very high39 Ų3965.5 Ų65.524%0.23633%0.334CS..THydrogen-bonded Turntrans-58.1-30.9-175.9-178.10000112.3M21 A24 I29 Q35 L38M21-V31 HydrophobicContact CB-CG1 4.4Å; M21-V31 HydrophobicContact CB-CG2 4.26Å; M21-V31 HydrophobicContact CG-CG1 3.75Å; M21-V31 HydrophobicContact CG-CG2 4.44Å; M21-V31 HydrophobicContact SD-CG1 3.76Å; A24-V31 HydrophobicContact CB-CG2 4.24Å; I29-V31 PolarHBondContact O-N 3.25Å; V31-Q35 VanDerWaalsContact O-CG 3.25Å; V31-Q35 WeakPolarHBondContact O-CG 3.44Å; V31-L38 HydrophobicContact CG1-CD1 4.43Å; V31-L38 HydrophobicContact CG1-CD2 4.4Å; V31-L38 HydrophobicContact CG2-CD2 4.33Å
32E86.9Confident91.4Very high169 Ų16966 Ų6679%0.7933%0.334SS*.THydrogen-bonded Turntrans-83.9-42.8-179.4-61.5-172.7170.300112.1D30D30-E32 PolarHBondContact O-N 3.32Å; D30-E32 PolarHBondContact OD1-N 2.97Å; D30-E32 VanDerWaalsContact OD1-N 3.08Å
33K88.1Confident91.4Very high159 Ų15965.5 Ų65.569%0.69133%0.329SS*.THydrogen-bonded Turntrans-88.9-27.3-174-60.9-166.2-165.588.40114.2D30D30-K33 HydrophobicContact CB-CB 4.16Å; D30-K33 PolarHBondContact O-N 3.1Å; D30-K33 PolarHBondContact OD1-N 3.4Å; D30-K33 WeakPolarHBondContact OD2-CD 3.46Å; D30-K33 VanDerWaalsContact OD2-CG 3.3Å; D30-K33 WeakPolarHBondContact OD2-CG 3.27Å; D30-K33 IonicContact OD2-NZ 2.88Å; D30-K33 PolarHBondContact OD2-NZ 2.87Å
34E90Very high91.3Very high39 Ų3964.3 Ų64.318%0.18233%0.326CS..  trans-123.243.5-168.8-61.1-175.2143.100112.2I29 D30 D36 L37 R91I29-E34 HydrophobicContact CG2-CB 4.01Å; D30-E34 HydrophobicContact CB-CG 4.49Å; D30-E34 PolarHBondContact N-OE2 3.46Å; D30-E34 WeakPolarHBondContact O-CA 3.36Å; D30-E34 WeakPolarHBondContact O-CB 3.49Å; D30-E34 PolarHBondContact O-N 2.86Å; E34-D36 PolarHBondContact O-N 3.26Å; E34-D36 VanDerWaalsContact O-N 3.13Å; E34-L37 HydrophobicContact CB-CB 4.32Å; E34-L37 HydrophobicContact CB-CD1 3.98Å; E34-L37 HydrophobicContact CB-CG 4.16Å; E34-L37 HydrophobicContact CG-CD1 4.24Å; E34-L37 WeakPolarHBondContact O-CB 3.37Å; E34-L37 PolarHBondContact O-N 3.4Å; E34-R91 IonicContact OE1-CZ 3.51Å; E34-R91 IonicContact OE1-NE 2.66Å; E34-R91 PolarHBondContact OE1-NE 2.87Å; E34-R91 IonicContact OE1-NH2 3.81Å; E34-R91 IonicContact OE2-CZ 3.61Å; E34-R91 IonicContact OE2-NE 3.21Å; E34-R91 PolarHBondContact OE2-NE 3.15Å; E34-R91 IonicContact OE2-NH2 2.64Å; E34-R91 PolarHBondContact OE2-NH2 2.98Å
35Q89.8Confident91.1Very high130 Ų13067.3 Ų67.361%0.60734%0.341SS*.G310 helixtrans-53.1-34.4176.6-68.8-175.8-4.500113.3V31 L37 L38V31-Q35 VanDerWaalsContact O-CG 3.25Å; V31-Q35 WeakPolarHBondContact O-CG 3.44Å; Q35-L37 PolarHBondContact O-N 2.82Å; Q35-L37 VanDerWaalsContact O-N 3.15Å; Q35-L38 HydrophobicContact CB-CD1 4.24Å; Q35-L38 HydrophobicContact CG-CD1 4.23Å; Q35-L38 WeakPolarHBondContact O-CB 3.34Å; Q35-L38 PolarHBondContact O-N 3.35Å; Q35-L38 VanDerWaalsContact O-N 3.12Å
36D88.4Confident90.9Very high125 Ų12563.5 Ų63.567%0.66833%0.329SS*.G310 helixtrans-59.9-24.8176.2-52.4-35.9000113.3E34 K94E34-D36 PolarHBondContact O-N 3.26Å; E34-D36 VanDerWaalsContact O-N 3.13Å; D36-K94 IonicContact OD2-NZ 3.04Å; D36-K94 PolarHBondContact OD2-NZ 3.45Å
37L92.3Very high90.8Very high13 Ų1361.9 Ų61.97%0.06832%0.319CS..G310 helixtrans-91.5-11.2-178.6-57.9-175000112.7I29 E34 Q35 H39 I40 V87 A90 R91I29-L37 HydrophobicContact CD1-CB 4.33Å; I29-L37 HydrophobicContact CG2-CB 4Å; E34-L37 HydrophobicContact CB-CB 4.32Å; E34-L37 HydrophobicContact CB-CD1 3.98Å; E34-L37 HydrophobicContact CB-CG 4.16Å; E34-L37 HydrophobicContact CG-CD1 4.24Å; E34-L37 WeakPolarHBondContact O-CB 3.37Å; E34-L37 PolarHBondContact O-N 3.4Å; Q35-L37 PolarHBondContact O-N 2.82Å; Q35-L37 VanDerWaalsContact O-N 3.15Å; L37-H39 PolarHBondContact O-N 3.26Å; L37-H39 VanDerWaalsContact O-N 3.13Å; L37-I40 HydrophobicContact CD2-CD1 4.23Å; L37-I40 WeakPolarHBondContact O-CB 3.49Å; L37-I40 PolarHBondContact O-N 3.35Å; L37-V87 HydrophobicContact CD1-CG1 4.3Å; L37-A90 HydrophobicContact CD2-CB 3.45Å; L37-A90 VanDerWaalsContact CD2-CB 3.45Å; L37-R91 HydrophobicContact CD1-CG 3.86Å
38L93.2Very high90.5Very high22 Ų2267.3 Ų67.312%0.11534%0.344CS..Hα-helixtrans-59.7-25.8179.4-68.7173.9000112.7A24 I29 V31 Q35 I40 A41 K42A24-L38 HydrophobicContact CB-CD2 3.58Å; I29-L38 HydrophobicContact CG2-CD2 4.37Å; V31-L38 HydrophobicContact CG1-CD1 4.43Å; V31-L38 HydrophobicContact CG1-CD2 4.4Å; V31-L38 HydrophobicContact CG2-CD2 4.33Å; Q35-L38 HydrophobicContact CB-CD1 4.24Å; Q35-L38 HydrophobicContact CG-CD1 4.23Å; Q35-L38 WeakPolarHBondContact O-CB 3.34Å; Q35-L38 PolarHBondContact O-N 3.35Å; Q35-L38 VanDerWaalsContact O-N 3.12Å; L38-I40 PolarHBondContact O-N 2.9Å; L38-A41 WeakPolarHBondContact O-CB 3.35Å; L38-A41 PolarHBondContact O-N 3.1Å; L38-A41 VanDerWaalsContact O-N 3.09Å; L38-K42 PolarHBondContact O-N 2.98Å
39H92.9Very high90.4Very high135 Ų13566.4 Ų66.463%0.62533%0.329SS*.Hα-helixtrans-59.5-32.7173.6-17654.1000112.9L37 K42 E43L37-H39 PolarHBondContact O-N 3.26Å; L37-H39 VanDerWaalsContact O-N 3.13Å; H39-K42 PolarHBondContact O-N 2.76Å; H39-E43 PolarHBondContact O-N 2.99Å
40I93.5Very high90.2Very high23 Ų2368.1 Ų68.112%0.11834%0.341CS..Hα-helixtrans-68-39.1176.5-56.3174.1000110.2L37 L38 E43 G44 F83 C86 V87 A90L37-I40 HydrophobicContact CD2-CD1 4.23Å; L37-I40 WeakPolarHBondContact O-CB 3.49Å; L37-I40 PolarHBondContact O-N 3.35Å; L38-I40 PolarHBondContact O-N 2.9Å; I40-E43 PolarHBondContact O-N 3.27Å; I40-G44 PolarHBondContact O-N 3.34Å; I40-F83 HydrophobicContact CG2-CB 4.42Å; I40-F83 HydrophobicContact CG2-CD1 4.13Å; I40-C86 HydrophobicContact CD1-CB 4.49Å; I40-C86 HydrophobicContact CG2-CB 3.99Å; I40-V87 HydrophobicContact CB-CG2 4.49Å; I40-V87 HydrophobicContact CD1-CG2 4.24Å; I40-V87 HydrophobicContact CG2-CG2 4.04Å; I40-A90 HydrophobicContact CD1-CB 3.87Å
41A93.5Very high90Very high0 Ų072.6 Ų72.60%037%0.37CS..Hα-helixtrans-65.1-43.1174.300000111.3V20 Y23 A24 L27 I29 L38 E43 G44 I45V20-A41 HydrophobicContact CG1-CB 4.05Å; Y23-A41 HydrophobicContact CD1-CB 3.95Å; Y23-A41 WeakPolarHBondContact CD1-O 3.31Å; Y23-A41 WeakPolarHBondContact CE1-O 3.48Å; A24-A41 HydrophobicContact CB-CB 3.69Å; L27-A41 HydrophobicContact CD1-CB 4.39Å; I29-A41 HydrophobicContact CD1-CB 4.2Å; L38-A41 WeakPolarHBondContact O-CB 3.35Å; L38-A41 PolarHBondContact O-N 3.1Å; L38-A41 VanDerWaalsContact O-N 3.09Å; A41-E43 VanDerWaalsContact C-N 3.31Å; A41-E43 PolarHBondContact O-N 3.09Å; A41-G44 PolarHBondContact O-N 3.32Å; A41-G44 VanDerWaalsContact O-N 3.17Å; A41-I45 WeakPolarHBondContact O-CG2 3.48Å; A41-I45 PolarHBondContact O-N 3.4Å
42K92.2Very high90Very high74 Ų7472 Ų7232%0.32237%0.372SS..Hα-helixtrans-59.6-40.6174.9-174169.9-178.3166.70112E14 P15 V20 L38 H39 I45 S46E14-K42 IonicContact OE1-NZ 2.83Å; E14-K42 PolarHBondContact OE1-NZ 3.38Å; P15-K42 HydrophobicContact CG-CG 4.18Å; V20-K42 HydrophobicContact CG1-CB 4.15Å; V20-K42 HydrophobicContact CG2-CB 4.22Å; V20-K42 HydrophobicContact CG2-CG 4.32Å; L38-K42 PolarHBondContact O-N 2.98Å; H39-K42 PolarHBondContact O-N 2.76Å; K42-I45 WeakPolarHBondContact O-CG2 3.5Å; K42-S46 WeakPolarHBondContact O-CB 3.48Å; K42-S46 PolarHBondContact O-N 3.4Å; K42-S46 PolarHBondContact O-OG 3.41Å
43E92.1Very high90.3Very high111 Ų11166.3 Ų66.352%0.51934%0.343SS..Hα-helixtrans-66.6-40.7175.2-170.4-177.6171.400112H39 I40 A41 S46 A47 F83H39-E43 PolarHBondContact O-N 2.99Å; I40-E43 PolarHBondContact O-N 3.27Å; A41-E43 VanDerWaalsContact C-N 3.31Å; A41-E43 PolarHBondContact O-N 3.09Å; E43-S46 CarbonylContact O-C 3.57Å; E43-S46 PolarHBondContact O-N 2.91Å; E43-A47 PolarHBondContact O-N 3.33Å; E43-A47 VanDerWaalsContact O-N 3.08Å; E43-F83 HydrophobicContact CB-CE1 4.27Å; E43-F83 HydrophobicContact CG-CE1 3.97Å; E43-F83 HydrophobicContact CG-CZ 4.48Å
44G91Very high90.4Very high3 Ų362.2 Ų62.23%0.03133%0.327CS..Hα-helixtrans-69.9-40.1-177.400000114.5I40 A41 S46 A47 F83I40-G44 PolarHBondContact O-N 3.34Å; A41-G44 PolarHBondContact O-N 3.32Å; A41-G44 VanDerWaalsContact O-N 3.17Å; G44-S46 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 2.88Å; G44-A47 VanDerWaalsContact O-CB 3.25Å; G44-A47 WeakPolarHBondContact O-CB 3.36Å; G44-A47 PolarHBondContact O-N 2.9Å; G44-F83 VanDerWaalsContact CA-CE2 3.42Å; G44-F83 VanDerWaalsContact CA-CZ 3.49Å
45I89.3Confident90.4Very high63 Ų6361.3 Ų61.332%0.32332%0.324SS..Hα-helixtrans-70-29.5175.8-165.7171.1000112.3P15 E19 V20 Y23 A41 K42 A47P15-I45 HydrophobicContact CB-CD1 4.22Å; P15-I45 HydrophobicContact CB-CG2 3.65Å; P15-I45 HydrophobicContact CG-CG2 3.69Å; E19-I45 HydrophobicContact CB-CD1 3.69Å; V20-I45 HydrophobicContact CG2-CG2 4.29Å; Y23-I45 HydrophobicContact CD1-CB 4.01Å; Y23-I45 HydrophobicContact CE1-CB 4.44Å; Y23-I45 HydrophobicContact CG-CB 4.23Å; A41-I45 WeakPolarHBondContact O-CG2 3.48Å; A41-I45 PolarHBondContact O-N 3.4Å; K42-I45 WeakPolarHBondContact O-CG2 3.5Å; I45-A47 VanDerWaalsContact C-N 3.31Å
46S88.3Confident90.5Very high59 Ų5956.3 Ų56.341%0.41330%0.301SS..THydrogen-bonded Turntrans-87.32.6174.7-61.50000113.4P15 K42 E43 G44 H48P15-S46 WeakPolarHBondContact CD-OG 3.19Å; P15-S46 WeakPolarHBondContact CG-OG 3.47Å; K42-S46 WeakPolarHBondContact O-CB 3.48Å; K42-S46 PolarHBondContact O-N 3.4Å; K42-S46 PolarHBondContact O-OG 3.41Å; E43-S46 CarbonylContact O-C 3.57Å; E43-S46 PolarHBondContact O-N 2.91Å; G44-S46 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 2.88Å; S46-H48 PolarHBondContact O-N 2.99Å
47A88.4Confident90.6Very high23 Ų2353.4 Ų53.419%0.1928%0.283CS..PPolyproline II helixtrans-73.6129-177.400000110.6E43 G44 I45 L79 F83E43-A47 PolarHBondContact O-N 3.33Å; E43-A47 VanDerWaalsContact O-N 3.08Å; G44-A47 VanDerWaalsContact O-CB 3.25Å; G44-A47 WeakPolarHBondContact O-CB 3.36Å; G44-A47 PolarHBondContact O-N 2.9Å; I45-A47 VanDerWaalsContact C-N 3.31Å; A47-L79 HydrophobicContact CB-CD1 4.25Å; A47-F83 HydrophobicContact CB-CE2 3.74Å; A47-F83 HydrophobicContact CB-CZ 3.76Å
48H87.2Confident90.4Very high124 Ų12454.3 Ų54.357%0.57429%0.287SS*.PPolyproline II helixtrans-66.1149.8173.8-57.594.7000111.2E9 S46E9-H48 IonicContact OE1-CD2 3.89Å; S46-H48 PolarHBondContact O-N 2.99Å
49L87.6Confident90.1Very high25 Ų2559.8 Ų59.813%0.13131%0.312CS..PPolyproline II helixtrans-64.9142.9176.3-75.7159.7000111.9E9 W53 V55 Y65 H77 P78E9-L49 PolarHBondContact OE1-N 2.98Å; L49-W53 HydrophobicContact CB-CB 4.24Å; L49-W53 HydrophobicContact CD2-CB 4.12Å; L49-V55 HydrophobicContact CD1-CG2 3.25Å; L49-Y65 HydrophobicContact CD1-CD1 4.49Å; L49-Y65 HydrophobicContact CD2-CD1 3.48Å; L49-Y65 VanDerWaalsContact CD2-CD1 3.48Å; L49-Y65 HydrophobicContact CD2-CE1 3.76Å; L49-H77 VanDerWaalsContact CD2-CD2 3.44Å; L49-H77 WeakPolarHBondContact CD2-CD2 3.29Å; L49-H77 VanDerWaalsContact CD2-NE2 3.27Å; L49-H77 WeakPolarHBondContact CD2-NE2 3.4Å; L49-P78 HydrophobicContact CD2-CG 4.27Å
50P87.8Confident89.9Confident40 Ų4058.5 Ų58.526%0.2631%0.31SS..PPolyproline II helixtrans-62.1154.4171.6-16.428.9000111.2G52 W53 P78 L79P50-G52 PolarHBondContact O-N 3.3Å; P50-W53 HydrophobicContact CB-CG 4.48Å; P50-W53 WeakPolarHBondContact O-CB 3.27Å; P50-W53 PolarHBondContact O-N 3.04Å; P50-W53 VanDerWaalsContact O-N 3.1Å; P50-P78 HydrophobicContact CG-CB 4.2Å; P50-P78 HydrophobicContact CG-CG 3.74Å; P50-L79 HydrophobicContact CG-CD1 4.37Å; P50-L79 HydrophobicContact CG-CD2 3.94Å; P50-L79 HydrophobicContact CG-CG 3.92Å
51T88.2Confident89.6Confident149 Ų14962.7 Ų62.791%0.91433%0.333SS*.THydrogen-bonded Turntrans-55.4128.8179.6-51.10000111.5
52G88.8Confident89.3Confident27 Ų2768 Ų6828%0.27836%0.358SS..THydrogen-bonded Turntrans94.2-9.7179.800000114.6P50 T68P50-G52 PolarHBondContact O-N 3.3Å; G52-T68 WeakPolarHBondContact O-CB 3.37Å; G52-T68 WeakPolarHBondContact O-CG2 3.32Å; G52-T68 PolarHBondContact O-N 3.22Å; G52-T68 PolarHBondContact O-OG1 3.4Å
53W93.1Very high89.3Confident48 Ų4868.6 Ų68.618%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-86.6145.1175.6-68.177.3000111.9L49 P50 Y66 D67 L74 P78L49-W53 HydrophobicContact CB-CB 4.24Å; L49-W53 HydrophobicContact CD2-CB 4.12Å; P50-W53 HydrophobicContact CB-CG 4.48Å; P50-W53 WeakPolarHBondContact O-CB 3.27Å; P50-W53 PolarHBondContact O-N 3.04Å; P50-W53 VanDerWaalsContact O-N 3.1Å; W53-Y66 CarbonylContact C-O 3.57Å; W53-Y66 WeakPolarHBondContact CA-O 3.44Å; W53-D67 HydrophobicContact CD2-CB 3.84Å; W53-D67 HydrophobicContact CE3-CB 3.91Å; W53-D67 HydrophobicContact CH2-CB 3.8Å; W53-D67 HydrophobicContact CZ2-CB 3.72Å; W53-D67 HydrophobicContact CZ3-CB 3.89Å; W53-L74 HydrophobicContact CH2-CD1 3.49Å; W53-L74 VanDerWaalsContact CH2-CD1 3.49Å; W53-L74 HydrophobicContact CH2-CG 3.98Å; W53-L74 HydrophobicContact CZ2-CD1 4.49Å; W53-L74 HydrophobicContact CZ3-CB 4.43Å; W53-L74 HydrophobicContact CZ3-CD1 3.84Å; W53-L74 HydrophobicContact CZ3-CG 4.04Å; W53-P78 HydrophobicContact CD2-CB 4.09Å; W53-P78 HydrophobicContact CD2-CG 3.77Å; W53-P78 HydrophobicContact CE3-CB 4.32Å; W53-P78 HydrophobicContact CE3-CG 4.01Å; W53-P78 HydrophobicContact CG-CG 4.1Å; W53-P78 HydrophobicContact CH2-CB 4.15Å; W53-P78 HydrophobicContact CZ2-CB 3.9Å; W53-P78 HydrophobicContact CZ3-CB 4.35Å; W53-P78 HydrophobicContact CZ3-CG 4.48Å
54Q90.7Very high89.2Confident74 Ų7464.9 Ų64.935%0.34635%0.346SS..EExtended strand (participates in β ladder)trans-132.2146.2179.4-72.1-176.1-14.300110.2L6 Y65 Y66 T68L6-Q54 HydrophobicContact CD1-CB 3.78Å; L6-Q54 HydrophobicContact CD1-CG 4.06Å; Q54-Y65 CarbonylContact O-C 3.59Å; Q54-Y65 WeakPolarHBondContact O-CA 3.32Å; Q54-Y66 PolarHBondContact N-O 3.03Å; Q54-Y66 PolarHBondContact O-N 3.45Å; Q54-T68 HydrophobicContact CG-CG2 3.79Å
55V90.7Very high89.3Confident20 Ų2067.1 Ų67.112%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-92.8123.2173-168.30000109.2L7 L49 I63 Y65L7-V55 HydrophobicContact CB-CB 4.09Å; L7-V55 HydrophobicContact CB-CG1 4.09Å; L7-V55 HydrophobicContact CD1-CG1 3.81Å; L7-V55 PolarHBondContact N-O 3.27Å; L49-V55 HydrophobicContact CD1-CG2 3.25Å; V55-I63 HydrophobicContact CG1-CG2 3.32Å; V55-Y65 HydrophobicContact CG2-CD1 4.07Å; V55-Y65 HydrophobicContact CG2-CE1 3.94Å
56L90.5Very high89.4Confident24 Ų2467.8 Ų67.813%0.12635%0.353CS..EExtended strand (participates in β ladder)trans-117.1145.6176.9-64179.4000109.7A4 L6 F64 Y66A4-L56 HydrophobicContact CB-CB 4.44Å; A4-L56 HydrophobicContact CB-CD1 4.49Å; L6-L56 HydrophobicContact CB-CD2 4.11Å; L6-L56 HydrophobicContact CD1-CD2 3.63Å; L6-L56 HydrophobicContact CG-CD2 4.49Å; L56-F64 HydrophobicContact CB-CD1 4.09Å; L56-F64 HydrophobicContact CB-CD2 4.13Å; L56-F64 HydrophobicContact CB-CE1 3.56Å; L56-F64 HydrophobicContact CB-CE2 3.63Å; L56-F64 HydrophobicContact CB-CG 4.36Å; L56-F64 HydrophobicContact CB-CZ 3.31Å; L56-F64 HydrophobicContact CD1-CE2 3.58Å; L56-F64 HydrophobicContact CD1-CZ 3.69Å; L56-F64 HydrophobicContact CG-CE2 4.17Å; L56-F64 HydrophobicContact CG-CZ 4.14Å; L56-F64 PolarHBondContact N-O 2.88Å; L56-F64 WeakPolarHBondContact O-CD1 3.44Å; L56-F64 PolarHBondContact O-N 3.07Å; L56-F64 VanDerWaalsContact O-O 3.13Å; L56-Y66 HydrophobicContact CD1-CD1 4.24Å; L56-Y66 HydrophobicContact CD1-CG 3.92Å
57K91.1Very high89.7Confident65 Ų6566 Ų6628%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-107.6129.5172-156.1172.2-178-178.10110A4 V5 L7 N61 Q62A4-K57 VanDerWaalsContact CA-O 3.28Å; A4-K57 WeakPolarHBondContact CA-O 3.42Å; V5-K57 PolarHBondContact N-O 3.22Å; V5-K57 PolarHBondContact O-N 3.5Å; L7-K57 HydrophobicContact CD1-CB 3.63Å; L7-K57 HydrophobicContact CD1-CD 4.27Å; L7-K57 HydrophobicContact CD1-CG 4.2Å; L7-K57 HydrophobicContact CG-CB 4.23Å; K57-N61 VanDerWaalsContact CE-CG 3.46Å; K57-N61 WeakPolarHBondContact CE-O 3.48Å; K57-N61 WeakPolarHBondContact CE-OD1 3.49Å; K57-N61 PolarHBondContact NZ-OD1 3.26Å; K57-Q62 WeakPolarHBondContact CA-O 3.31Å
58D88.6Confident89.7Confident31 Ų3168.1 Ų68.117%0.16635%0.349CS..  trans-78.9179.1174.685.9-14.4000112.3N60 N61 Q62 F64D58-N60 PolarHBondContact O-N 3.22Å; D58-N60 VanDerWaalsContact OD1-CA 3.27Å; D58-N60 WeakPolarHBondContact OD1-CA 3.49Å; D58-N60 WeakPolarHBondContact OD1-CB 3.42Å; D58-N60 PolarHBondContact OD1-N 3.18Å; D58-N60 PolarHBondContact OD2-ND2 3.42Å; D58-N61 PolarHBondContact O-N 2.9Å; D58-N61 PolarHBondContact OD1-N 3.33Å; D58-Q62 PolarHBondContact N-O 3.37Å; D58-Q62 WeakPolarHBondContact OD1-CA 3.46Å; D58-Q62 WeakPolarHBondContact OD1-CB 3.3Å; D58-Q62 PolarHBondContact OD1-N 2.93Å; D58-F64 HydrophobicContact CB-CD1 4.32Å; D58-F64 HydrophobicContact CB-CE1 4.03Å
59E87.6Confident89.9Confident137 Ų13766.5 Ų66.564%0.6436%0.357SS*.THydrogen-bonded Turntrans-66.6-21.1176.562.5-169.817100113.9N61E59-N61 VanDerWaalsContact C-N 3.26Å
60N87.8Confident90Very high108 Ų10868.2 Ų68.258%0.57837%0.371SS*.THydrogen-bonded Turntrans-90.410.7177.3-52.9-57.6000112.6D58 Q62D58-N60 PolarHBondContact O-N 3.22Å; D58-N60 VanDerWaalsContact OD1-CA 3.27Å; D58-N60 WeakPolarHBondContact OD1-CA 3.49Å; D58-N60 WeakPolarHBondContact OD1-CB 3.42Å; D58-N60 PolarHBondContact OD1-N 3.18Å; D58-N60 PolarHBondContact OD2-ND2 3.42Å; N60-Q62 HydrophobicContact CB-CG 4.19Å; N60-Q62 PolarHBondContact O-N 2.91Å
61N86.3Confident90.1Very high112 Ų11268.3 Ų68.360%0.59938%0.379SS*.SBendtrans63.217.5-173.8-74.4-31.7000116.1K57 D58 E59K57-N61 VanDerWaalsContact CE-CG 3.46Å; K57-N61 WeakPolarHBondContact CE-O 3.48Å; K57-N61 WeakPolarHBondContact CE-OD1 3.49Å; K57-N61 PolarHBondContact NZ-OD1 3.26Å; D58-N61 PolarHBondContact O-N 2.9Å; D58-N61 PolarHBondContact OD1-N 3.33Å; E59-N61 VanDerWaalsContact C-N 3.26Å
62Q89Confident90.2Very high112 Ų11265.4 Ų65.452%0.52336%0.358SS..  trans-83.6141.8175.4-58.9-61.4-23.800111.1K57 D58 N60 W75K57-Q62 WeakPolarHBondContact CA-O 3.31Å; D58-Q62 PolarHBondContact N-O 3.37Å; D58-Q62 WeakPolarHBondContact OD1-CA 3.46Å; D58-Q62 WeakPolarHBondContact OD1-CB 3.3Å; D58-Q62 PolarHBondContact OD1-N 2.93Å; N60-Q62 HydrophobicContact CB-CG 4.19Å; N60-Q62 PolarHBondContact O-N 2.91Å; Q62-W75 HydrophobicContact CB-CH2 4.43Å; Q62-W75 HydrophobicContact CB-CZ3 3.78Å
63I90.3Very high90.4Very high86 Ų8667.7 Ų67.744%0.44137%0.369SS..EExtended strand (participates in β ladder)trans-91.2135.3179.9-62.8173.4000109L7 V55L7-I63 HydrophobicContact CD1-CG1 4.11Å; V55-I63 HydrophobicContact CG1-CG2 3.32Å
64F91.3Very high90.4Very high32 Ų3268.6 Ų68.614%0.1438%0.377CS..EExtended strand (participates in β ladder)trans-141.4154.1171.268.8-83.4000110.5A4 L56 D58 L74 W75A4-F64 HydrophobicContact CB-CE1 4.48Å; A4-F64 HydrophobicContact CB-CZ 4.13Å; L56-F64 HydrophobicContact CB-CD1 4.09Å; L56-F64 HydrophobicContact CB-CD2 4.13Å; L56-F64 HydrophobicContact CB-CE1 3.56Å; L56-F64 HydrophobicContact CB-CE2 3.63Å; L56-F64 HydrophobicContact CB-CG 4.36Å; L56-F64 HydrophobicContact CB-CZ 3.31Å; L56-F64 HydrophobicContact CD1-CE2 3.58Å; L56-F64 HydrophobicContact CD1-CZ 3.69Å; L56-F64 HydrophobicContact CG-CE2 4.17Å; L56-F64 HydrophobicContact CG-CZ 4.14Å; L56-F64 PolarHBondContact N-O 2.88Å; L56-F64 WeakPolarHBondContact O-CD1 3.44Å; L56-F64 PolarHBondContact O-N 3.07Å; L56-F64 VanDerWaalsContact O-O 3.13Å; D58-F64 HydrophobicContact CB-CD1 4.32Å; D58-F64 HydrophobicContact CB-CE1 4.03Å; F64-L74 CarbonylContact C-O 3.59Å; F64-L74 WeakPolarHBondContact CB-O 3.46Å; F64-W75 HydrophobicContact CB-CD2 4.28Å; F64-W75 HydrophobicContact CB-CE3 3.77Å; F64-W75 HydrophobicContact CB-CZ3 3.91Å; F64-W75 HydrophobicContact CD1-CZ3 4.47Å
65Y92.8Very high90.5Very high50 Ų5073.3 Ų73.320%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-101.2132.2-177.2-57.2-82.9000109.7L49 Q54 V55 S73 L74 E76 H77L49-Y65 HydrophobicContact CD1-CD1 4.49Å; L49-Y65 HydrophobicContact CD2-CD1 3.48Å; L49-Y65 VanDerWaalsContact CD2-CD1 3.48Å; L49-Y65 HydrophobicContact CD2-CE1 3.76Å; Q54-Y65 CarbonylContact O-C 3.59Å; Q54-Y65 WeakPolarHBondContact O-CA 3.32Å; V55-Y65 HydrophobicContact CG2-CD1 4.07Å; V55-Y65 HydrophobicContact CG2-CE1 3.94Å; Y65-S73 CarbonylContact O-C 3.55Å; Y65-S73 VanDerWaalsContact O-CA 3.27Å; Y65-S73 WeakPolarHBondContact O-CA 3.46Å; Y65-L74 PolarHBondContact N-O 2.98Å; Y65-L74 PolarHBondContact O-N 3.47Å; Y65-E76 VanDerWaalsContact CD2-C 3.47Å; Y65-E76 VanDerWaalsContact CD2-O 3.23Å; Y65-E76 WeakPolarHBondContact CD2-O 3.29Å; Y65-H77 HydrophobicContact CD2-CB 4.32Å; Y65-H77 HydrophobicContact CE1-CB 4.36Å; Y65-H77 AromaticContact CE1-CD2 3.6Å; Y65-H77 HydrophobicContact CE2-CB 3.75Å; Y65-H77 AromaticContact CZ-CD2 3.8Å
66Y92.4Very high90.6Very high78 Ų7877.4 Ų77.431%0.30641%0.41SS..EExtended strand (participates in β ladder)trans-124.3125-179.1174.2-101.8000110.4W53 Q54 L56 T68 I72W53-Y66 CarbonylContact C-O 3.57Å; W53-Y66 WeakPolarHBondContact CA-O 3.44Å; Q54-Y66 PolarHBondContact N-O 3.03Å; Q54-Y66 PolarHBondContact O-N 3.45Å; L56-Y66 HydrophobicContact CD1-CD1 4.24Å; L56-Y66 HydrophobicContact CD1-CG 3.92Å; Y66-T68 HydrophobicContact CD1-CG2 4.2Å; Y66-T68 HydrophobicContact CE1-CG2 4.1Å; Y66-I72 WeakPolarHBondContact CA-O 3.49Å
67D93.4Very high90.5Very high20 Ų2077 Ų7711%0.10741%0.407CS..EExtended strand (participates in β ladder)trans-85.5116172.7-176.41.3000110.2W53 A69 S70 G71 I72W53-D67 HydrophobicContact CD2-CB 3.84Å; W53-D67 HydrophobicContact CE3-CB 3.91Å; W53-D67 HydrophobicContact CH2-CB 3.8Å; W53-D67 HydrophobicContact CZ2-CB 3.72Å; W53-D67 HydrophobicContact CZ3-CB 3.89Å; D67-A69 VanDerWaalsContact C-N 3.25Å; D67-A69 PolarHBondContact O-N 3.04Å; D67-A69 WeakPolarHBondContact OD1-CB 3.46Å; D67-A69 PolarHBondContact OD1-N 3.49Å; D67-S70 VanDerWaalsContact CB-OG 3.32Å; D67-S70 WeakPolarHBondContact CB-OG 3.43Å; D67-S70 VanDerWaalsContact OD2-CB 3.26Å; D67-S70 WeakPolarHBondContact OD2-CB 3.33Å; D67-S70 PolarHBondContact OD2-N 3.38Å; D67-S70 PolarHBondContact OD2-OG 3.33Å; D67-G71 VanDerWaalsContact O-CA 3.25Å; D67-G71 WeakPolarHBondContact O-CA 3.46Å; D67-G71 PolarHBondContact O-N 2.92Å; D67-I72 PolarHBondContact N-O 3.08Å
68T89.6Confident90.4Very high68 Ų6875.5 Ų75.542%0.41740%0.404SS..THydrogen-bonded Turntrans-68.1-23.6177.6590000113.4G52 Q54 Y66G52-T68 WeakPolarHBondContact O-CB 3.37Å; G52-T68 WeakPolarHBondContact O-CG2 3.32Å; G52-T68 PolarHBondContact O-N 3.22Å; G52-T68 PolarHBondContact O-OG1 3.4Å; Q54-T68 HydrophobicContact CG-CG2 3.79Å; Y66-T68 HydrophobicContact CD1-CG2 4.2Å; Y66-T68 HydrophobicContact CE1-CG2 4.1Å
69A90Very high90.6Very high91 Ų9176.8 Ų76.875%0.75241%0.411SS*.THydrogen-bonded Turntrans-84.4-48.3-178.500000111.9D67D67-A69 VanDerWaalsContact C-N 3.25Å; D67-A69 PolarHBondContact O-N 3.04Å; D67-A69 WeakPolarHBondContact OD1-CB 3.46Å; D67-A69 PolarHBondContact OD1-N 3.49Å
70S89.8Confident90.8Very high60 Ų6070.8 Ų70.842%0.4238%0.383SS..THydrogen-bonded Turntrans-91-18-178.666.40000114.3D67 I72D67-S70 VanDerWaalsContact CB-OG 3.32Å; D67-S70 WeakPolarHBondContact CB-OG 3.43Å; D67-S70 VanDerWaalsContact OD2-CB 3.26Å; D67-S70 WeakPolarHBondContact OD2-CB 3.33Å; D67-S70 PolarHBondContact OD2-N 3.38Å; D67-S70 PolarHBondContact OD2-OG 3.33Å; S70-I72 PolarHBondContact O-N 3.09Å; S70-I72 WeakPolarHBondContact OG-CB 3.37Å; S70-I72 WeakPolarHBondContact OG-CD1 3.42Å; S70-I72 VanDerWaalsContact OG-CG1 3.26Å; S70-I72 WeakPolarHBondContact OG-CG1 3.44Å; S70-I72 PolarHBondContact OG-N 2.81Å
71G90.5Very high91Very high42 Ų4275 Ų7543%0.43339%0.391SS..  trans73.413.8-172.300000113.8D67D67-G71 VanDerWaalsContact O-CA 3.25Å; D67-G71 WeakPolarHBondContact O-CA 3.46Å; D67-G71 PolarHBondContact O-N 2.92Å
72I90.7Very high91.4Very high89 Ų8974.5 Ų74.546%0.45639%0.385SS..  trans-83.6134.6-179.7-62.9171.3000109.9Y66 D67 S70 L74Y66-I72 WeakPolarHBondContact CA-O 3.49Å; D67-I72 PolarHBondContact N-O 3.08Å; S70-I72 PolarHBondContact O-N 3.09Å; S70-I72 WeakPolarHBondContact OG-CB 3.37Å; S70-I72 WeakPolarHBondContact OG-CD1 3.42Å; S70-I72 VanDerWaalsContact OG-CG1 3.26Å; S70-I72 WeakPolarHBondContact OG-CG1 3.44Å; S70-I72 PolarHBondContact OG-N 2.81Å; I72-L74 HydrophobicContact CG2-CD2 4.01Å; I72-L74 HydrophobicContact CG2-CG 4.16Å
73S92.6Very high91.6Very high75 Ų7569.6 Ų69.652%0.52436%0.362SS..EExtended strand (participates in β ladder)trans-110.2130.3171.260.40000111.2Y65Y65-S73 CarbonylContact O-C 3.55Å; Y65-S73 VanDerWaalsContact O-CA 3.27Å; Y65-S73 WeakPolarHBondContact O-CA 3.46Å
74L93.5Very high91.8Very high67 Ų6769.2 Ų69.235%0.35136%0.355SS..EExtended strand (participates in β ladder)trans-122.5145.8177.8-60.6179.7000110.6W53 F64 Y65 I72 E76W53-L74 HydrophobicContact CH2-CD1 3.49Å; W53-L74 VanDerWaalsContact CH2-CD1 3.49Å; W53-L74 HydrophobicContact CH2-CG 3.98Å; W53-L74 HydrophobicContact CZ2-CD1 4.49Å; W53-L74 HydrophobicContact CZ3-CB 4.43Å; W53-L74 HydrophobicContact CZ3-CD1 3.84Å; W53-L74 HydrophobicContact CZ3-CG 4.04Å; F64-L74 CarbonylContact C-O 3.59Å; F64-L74 WeakPolarHBondContact CB-O 3.46Å; Y65-L74 PolarHBondContact N-O 2.98Å; Y65-L74 PolarHBondContact O-N 3.47Å; I72-L74 HydrophobicContact CG2-CD2 4.01Å; I72-L74 HydrophobicContact CG2-CG 4.16Å; L74-E76 WeakPolarHBondContact CB-O 3.38Å
75W92.8Very high91.9Very high172 Ų17271.4 Ų71.465%0.65237%0.368SS*.SBendtrans-85.6-23.9171.6-68.1102.6000112.6Q62 F64Q62-W75 HydrophobicContact CB-CH2 4.43Å; Q62-W75 HydrophobicContact CB-CZ3 3.78Å; F64-W75 HydrophobicContact CB-CD2 4.28Å; F64-W75 HydrophobicContact CB-CE3 3.77Å; F64-W75 HydrophobicContact CB-CZ3 3.91Å; F64-W75 HydrophobicContact CD1-CZ3 4.47Å
76E91.6Very high91.9Very high106 Ų10670.6 Ų70.650%0.49537%0.369SS..SBendtrans-96.6154.1174.3-61.3-173.1149.900109.7Y65 L74 R84Y65-E76 VanDerWaalsContact CD2-C 3.47Å; Y65-E76 VanDerWaalsContact CD2-O 3.23Å; Y65-E76 WeakPolarHBondContact CD2-O 3.29Å; L74-E76 WeakPolarHBondContact CB-O 3.38Å; E76-R84 IonicContact OE1-NH2 2.99Å; E76-R84 PolarHBondContact OE1-NH2 3.08Å
77H89.1Confident92Very high16 Ų1667 Ų677%0.07436%0.355CS..  trans-69.8137.8177.4178.9-88.2000109.3L49 Y65 L79 D80L49-H77 VanDerWaalsContact CD2-CD2 3.44Å; L49-H77 WeakPolarHBondContact CD2-CD2 3.29Å; L49-H77 VanDerWaalsContact CD2-NE2 3.27Å; L49-H77 WeakPolarHBondContact CD2-NE2 3.4Å; Y65-H77 HydrophobicContact CD2-CB 4.32Å; Y65-H77 HydrophobicContact CE1-CB 4.36Å; Y65-H77 AromaticContact CE1-CD2 3.6Å; Y65-H77 HydrophobicContact CE2-CB 3.75Å; Y65-H77 AromaticContact CZ-CD2 3.8Å; H77-L79 PolarHBondContact ND1-N 3.42Å; H77-L79 VanDerWaalsContact ND1-N 3.2Å; H77-L79 PolarHBondContact O-N 2.83Å; H77-D80 WeakPolarHBondContact CB-OD1 3.3Å; H77-D80 WeakPolarHBondContact CB-OD2 3.3Å; H77-D80 PolarHBondContact N-OD2 3.16Å; H77-D80 VanDerWaalsContact O-CB 3.24Å; H77-D80 WeakPolarHBondContact O-CB 3.29Å; H77-D80 VanDerWaalsContact O-CG 3.3Å; H77-D80 PolarHBondContact O-N 2.97Å
78P89.6Confident92Very high33 Ų3370.1 Ų70.121%0.21438%0.375CS..THydrogen-bonded Turntrans-60-24-173.223-36.1000114.1L49 P50 W53L49-P78 HydrophobicContact CD2-CG 4.27Å; P50-P78 HydrophobicContact CG-CB 4.2Å; P50-P78 HydrophobicContact CG-CG 3.74Å; W53-P78 HydrophobicContact CD2-CB 4.09Å; W53-P78 HydrophobicContact CD2-CG 3.77Å; W53-P78 HydrophobicContact CE3-CB 4.32Å; W53-P78 HydrophobicContact CE3-CG 4.01Å; W53-P78 HydrophobicContact CG-CG 4.1Å; W53-P78 HydrophobicContact CH2-CB 4.15Å; W53-P78 HydrophobicContact CZ2-CB 3.9Å; W53-P78 HydrophobicContact CZ3-CB 4.35Å; W53-P78 HydrophobicContact CZ3-CG 4.48Å
79L91.2Very high92.2Very high59 Ų5973 Ų7331%0.30938%0.382SS..THydrogen-bonded Turntrans-88.1-6175.1-58.4-179.4000114.1A47 P50 H77 R81 H82 F83A47-L79 HydrophobicContact CB-CD1 4.25Å; P50-L79 HydrophobicContact CG-CD1 4.37Å; P50-L79 HydrophobicContact CG-CD2 3.94Å; P50-L79 HydrophobicContact CG-CG 3.92Å; H77-L79 PolarHBondContact ND1-N 3.42Å; H77-L79 VanDerWaalsContact ND1-N 3.2Å; H77-L79 PolarHBondContact O-N 2.83Å; L79-R81 PolarHBondContact O-N 2.99Å; L79-H82 WeakPolarHBondContact O-CA 3.48Å; L79-H82 WeakPolarHBondContact O-CB 3.47Å; L79-H82 PolarHBondContact O-N 3.48Å; L79-F83 HydrophobicContact CB-CD2 4.19Å; L79-F83 HydrophobicContact CB-CE2 3.74Å; L79-F83 WeakPolarHBondContact O-CD2 3.47Å; L79-F83 PolarHBondContact O-N 2.94Å
80D93.1Very high92.3Very high11 Ų1170 Ų706%0.05936%0.357CS..Hα-helixtrans-58.6-37.6-178.3-72.7-13.5000111.8Y23 L27 H77 H82 F83 R84Y23-D80 WeakPolarHBondContact CE2-OD1 3.39Å; Y23-D80 PolarHBondContact OH-OD1 3.07Å; L27-D80 HydrophobicContact CD2-CB 4.5Å; H77-D80 WeakPolarHBondContact CB-OD1 3.3Å; H77-D80 WeakPolarHBondContact CB-OD2 3.3Å; H77-D80 PolarHBondContact N-OD2 3.16Å; H77-D80 VanDerWaalsContact O-CB 3.24Å; H77-D80 WeakPolarHBondContact O-CB 3.29Å; H77-D80 VanDerWaalsContact O-CG 3.3Å; H77-D80 PolarHBondContact O-N 2.97Å; D80-H82 VanDerWaalsContact C-N 3.26Å; D80-H82 PolarHBondContact O-N 3.17Å; D80-F83 PolarHBondContact O-N 2.9Å; D80-F83 VanDerWaalsContact O-N 3.12Å; D80-R84 WeakPolarHBondContact O-CG 3.48Å; D80-R84 PolarHBondContact O-N 3.48Å
81R92.1Very high92.4Very high197 Ų19771.5 Ų71.574%0.74335%0.353SS*.Hα-helixtrans-56.9-40.9174.5-174.1177.4-179.61782.3112.3L79 D85L79-R81 PolarHBondContact O-N 2.99Å; R81-D85 PolarHBondContact O-N 2.97Å; R81-D85 VanDerWaalsContact O-N 3.11Å
82H93.2Very high92.5Very high100 Ų10074.6 Ų74.646%0.46336%0.356SS..Hα-helixtrans-67.1-40.4177.3174.4-90.3000111.4L79 D80 D85 C86L79-H82 WeakPolarHBondContact O-CA 3.48Å; L79-H82 WeakPolarHBondContact O-CB 3.47Å; L79-H82 PolarHBondContact O-N 3.48Å; D80-H82 VanDerWaalsContact C-N 3.26Å; D80-H82 PolarHBondContact O-N 3.17Å; H82-D85 WeakPolarHBondContact O-CB 3.49Å; H82-D85 PolarHBondContact O-N 3.24Å; H82-C86 VanDerWaalsContact CE1-SG 3.5Å; H82-C86 PolarHBondContact O-N 2.85Å; H82-C86 PolarHBondContact O-SG 3.32Å; H82-C86 VanDerWaalsContact O-SG 3.37Å
83F93.9Very high92.5Very high9 Ų977.9 Ų77.94%0.03937%0.368CS..Hα-helixtrans-68.4-37.8177.4-66.9-66.9000112.4L27 I40 E43 G44 A47 L79 D80 D85 C86 V87L27-F83 HydrophobicContact CD1-CB 4.09Å; L27-F83 HydrophobicContact CD2-CB 4.16Å; I40-F83 HydrophobicContact CG2-CB 4.42Å; I40-F83 HydrophobicContact CG2-CD1 4.13Å; E43-F83 HydrophobicContact CB-CE1 4.27Å; E43-F83 HydrophobicContact CG-CE1 3.97Å; E43-F83 HydrophobicContact CG-CZ 4.48Å; G44-F83 VanDerWaalsContact CA-CE2 3.42Å; G44-F83 VanDerWaalsContact CA-CZ 3.49Å; A47-F83 HydrophobicContact CB-CE2 3.74Å; A47-F83 HydrophobicContact CB-CZ 3.76Å; L79-F83 HydrophobicContact CB-CD2 4.19Å; L79-F83 HydrophobicContact CB-CE2 3.74Å; L79-F83 WeakPolarHBondContact O-CD2 3.47Å; L79-F83 PolarHBondContact O-N 2.94Å; D80-F83 PolarHBondContact O-N 2.9Å; D80-F83 VanDerWaalsContact O-N 3.12Å; F83-D85 VanDerWaalsContact C-N 3.32Å; F83-D85 PolarHBondContact O-N 3.03Å; F83-C86 WeakPolarHBondContact O-CB 3.49Å; F83-C86 PolarHBondContact O-N 3.43Å; F83-C86 VanDerWaalsContact O-N 3.12Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 2.87Å
84R94.8Very high92.2Very high78 Ų7878.9 Ų78.929%0.29436%0.363SS..Hα-helixtrans-57-44.5169.6-67.6-179.8-169.4-82.75.4111.3S26 L27 E76 D80 C86 V87 V88S26-R84 VanDerWaalsContact O-CZ 3.29Å; S26-R84 PolarHBondContact O-NH1 3.48Å; S26-R84 PolarHBondContact O-NH2 3.21Å; L27-R84 HydrophobicContact CD2-CG 3.71Å; E76-R84 IonicContact OE1-NH2 2.99Å; E76-R84 PolarHBondContact OE1-NH2 3.08Å; D80-R84 WeakPolarHBondContact O-CG 3.48Å; D80-R84 PolarHBondContact O-N 3.48Å; R84-C86 VanDerWaalsContact C-N 3.33Å; R84-C86 PolarHBondContact O-N 3.42Å; R84-V87 WeakPolarHBondContact O-CB 3.33Å; R84-V87 PolarHBondContact O-N 2.94Å; R84-V88 WeakPolarHBondContact O-CG2 3.37Å; R84-V88 PolarHBondContact O-N 2.96Å; R84-V88 VanDerWaalsContact O-N 3.09Å
85D93.5Very high91.9Very high78 Ų7879.8 Ų79.842%0.41737%0.365SS..Hα-helixtrans-64-36.2175.6-70.9-14.1000112.6R81 H82 F83 V88 K89R81-D85 PolarHBondContact O-N 2.97Å; R81-D85 VanDerWaalsContact O-N 3.11Å; H82-D85 WeakPolarHBondContact O-CB 3.49Å; H82-D85 PolarHBondContact O-N 3.24Å; F83-D85 VanDerWaalsContact C-N 3.32Å; F83-D85 PolarHBondContact O-N 3.03Å; D85-V88 PolarHBondContact O-N 2.94Å; D85-K89 VanDerWaalsContact O-CG 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3.37Å; D85-K89 PolarHBondContact O-N 3.5Å
86C93.4Very high91.7Very high34 Ų3475.3 Ų75.323%0.2335%0.354CS..Hα-helixtrans-63.5-40.9174.1-73.50000111.9I40 H82 F83 R84 K89 A90I40-C86 HydrophobicContact CD1-CB 4.49Å; I40-C86 HydrophobicContact CG2-CB 3.99Å; H82-C86 VanDerWaalsContact CE1-SG 3.5Å; H82-C86 PolarHBondContact O-N 2.85Å; H82-C86 PolarHBondContact O-SG 3.32Å; H82-C86 VanDerWaalsContact O-SG 3.37Å; F83-C86 WeakPolarHBondContact O-CB 3.49Å; F83-C86 PolarHBondContact O-N 3.43Å; F83-C86 VanDerWaalsContact O-N 3.12Å; R84-C86 VanDerWaalsContact C-N 3.33Å; R84-C86 PolarHBondContact O-N 3.42Å; C86-K89 PolarHBondContact O-N 2.86Å; C86-A90 WeakPolarHBondContact O-CB 3.16Å; C86-A90 PolarHBondContact O-N 3.36Å
87V93.9Very high91.4Very high2 Ų272.7 Ų72.71%0.01235%0.35CS..Hα-helixtrans-60.1-47.4174.2173.10000110.7I29 L37 I40 F83 R84 K89 A90 R91I29-V87 HydrophobicContact CD1-CG2 3.6Å; I29-V87 HydrophobicContact CG1-CG1 3.96Å; I29-V87 HydrophobicContact CG1-CG2 3.7Å; L37-V87 HydrophobicContact CD1-CG1 4.3Å; I40-V87 HydrophobicContact CB-CG2 4.49Å; I40-V87 HydrophobicContact CD1-CG2 4.24Å; I40-V87 HydrophobicContact CG2-CG2 4.04Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 2.87Å; R84-V87 WeakPolarHBondContact O-CB 3.33Å; R84-V87 PolarHBondContact O-N 2.94Å; V87-K89 PolarHBondContact O-N 3.12Å; V87-A90 PolarHBondContact O-N 3.43Å; V87-R91 WeakPolarHBondContact O-CG 3.42Å; V87-R91 PolarHBondContact O-N 2.81Å
88V93.5Very high91.1Very high86 Ų8674.9 Ų74.952%0.52136%0.362SS..Hα-helixtrans-59.7-45.3177.9174.50000111.3R84 D85 A90 R91 Q92R84-V88 WeakPolarHBondContact O-CG2 3.37Å; R84-V88 PolarHBondContact O-N 2.96Å; R84-V88 VanDerWaalsContact O-N 3.09Å; D85-V88 PolarHBondContact O-N 2.94Å; V88-A90 PolarHBondContact O-N 3.41Å; V88-R91 PolarHBondContact O-N 2.89Å; V88-Q92 PolarHBondContact O-N 2.94Å
89K93.2Very high90.7Very high128 Ų12877 Ų7756%0.55737%0.371SS*.Hα-helixtrans-63.4-39.7177-71.2167.2-169.5156.40112.5D85 C86 V87 Q92 K93D85-K89 VanDerWaalsContact O-CG 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3.37Å; D85-K89 PolarHBondContact O-N 3.5Å; C86-K89 PolarHBondContact O-N 2.86Å; V87-K89 PolarHBondContact O-N 3.12Å; K89-Q92 PolarHBondContact O-N 2.98Å; K89-K93 WeakPolarHBondContact O-CB 3.36Å; K89-K93 PolarHBondContact O-N 3.06Å
90A91.6Very high90.1Very high28 Ų2878.8 Ų78.823%0.23139%0.385CS..Hα-helixtrans-66.8-40.4178.600000111.6L37 I40 C86 V87 V88 K93 K94L37-A90 HydrophobicContact CD2-CB 3.45Å; L37-A90 VanDerWaalsContact CD2-CB 3.45Å; I40-A90 HydrophobicContact CD1-CB 3.87Å; C86-A90 WeakPolarHBondContact O-CB 3.16Å; C86-A90 PolarHBondContact O-N 3.36Å; V87-A90 PolarHBondContact O-N 3.43Å; V88-A90 PolarHBondContact O-N 3.41Å; A90-K93 PolarHBondContact O-N 3.12Å; A90-K94 PolarHBondContact O-N 3.08Å
91R93.2Very high89.3Confident91 Ų9183 Ų8334%0.34341%0.411SS..Hα-helixtrans-61.2-46172.2-72.9177.1176.2153.65.1111.9G28 E34 L37 V87 V88 K93 K94 Q95G28-R91 PolarHBondContact O-NH2 3.36Å; E34-R91 IonicContact OE1-CZ 3.51Å; E34-R91 IonicContact OE1-NE 2.66Å; E34-R91 PolarHBondContact OE1-NE 2.87Å; E34-R91 IonicContact OE1-NH2 3.81Å; E34-R91 IonicContact OE2-CZ 3.61Å; E34-R91 IonicContact OE2-NE 3.21Å; E34-R91 PolarHBondContact OE2-NE 3.15Å; E34-R91 IonicContact OE2-NH2 2.64Å; E34-R91 PolarHBondContact OE2-NH2 2.98Å; L37-R91 HydrophobicContact CD1-CG 3.86Å; V87-R91 WeakPolarHBondContact O-CG 3.42Å; V87-R91 PolarHBondContact O-N 2.81Å; V88-R91 PolarHBondContact O-N 2.89Å; R91-K93 VanDerWaalsContact C-N 3.34Å; R91-K93 PolarHBondContact O-N 3.31Å; R91-K94 PolarHBondContact O-N 3.14Å; R91-Q95 PolarHBondContact O-N 3.49Å
92Q91.6Very high88Confident107 Ų10780.9 Ų80.950%0.541%0.407SS..Hα-helixtrans-59.8-44.9176.6-174.1624200111.5V88 K89 K94 Q95 D96V88-Q92 PolarHBondContact O-N 2.94Å; K89-Q92 PolarHBondContact O-N 2.98Å; Q92-K94 VanDerWaalsContact C-N 3.29Å; Q92-K94 PolarHBondContact O-N 3.17Å; Q92-Q95 WeakPolarHBondContact O-CB 3.4Å; Q92-Q95 PolarHBondContact O-N 3.3Å; Q92-Q95 VanDerWaalsContact O-N 3.15Å; Q92-D96 PolarHBondContact NE2-OD1 2.95Å; Q92-D96 PolarHBondContact O-N 3.42Å
93K90.4Very high86.3Confident159 Ų15980.4 Ų80.469%0.69142%0.42SS*.Hα-helixtrans-61.4-37.2177.1-174.4-178.9177.2-173.60112.3K89 A90 R91 A97K89-K93 WeakPolarHBondContact O-CB 3.36Å; K89-K93 PolarHBondContact O-N 3.06Å; A90-K93 PolarHBondContact O-N 3.12Å; R91-K93 VanDerWaalsContact C-N 3.34Å; R91-K93 PolarHBondContact O-N 3.31Å; K93-A97 WeakPolarHBondContact O-CB 3.28Å; K93-A97 PolarHBondContact O-N 3.01Å; K93-A97 VanDerWaalsContact O-N 3.08Å
94K87.6Confident84.4Confident96 Ų9682.9 Ų82.942%0.41745%0.448SS..Hα-helixtrans-66.9-40.8175.4-170.3167.5179.81650111D36 A90 R91 Q92 A97 I98D36-K94 IonicContact OD2-NZ 3.04Å; D36-K94 PolarHBondContact OD2-NZ 3.45Å; A90-K94 PolarHBondContact O-N 3.08Å; R91-K94 PolarHBondContact O-N 3.14Å; Q92-K94 VanDerWaalsContact C-N 3.29Å; Q92-K94 PolarHBondContact O-N 3.17Å; K94-A97 PolarHBondContact O-N 3.26Å; K94-I98 HydrophobicContact CG-CD1 4.4Å; K94-I98 WeakPolarHBondContact O-CD1 3.31Å; K94-I98 VanDerWaalsContact O-CG1 3.3Å; K94-I98 WeakPolarHBondContact O-CG1 3.43Å; K94-I98 PolarHBondContact O-N 3.48Å; K94-I98 VanDerWaalsContact O-N 3.12Å
95Q87.1Confident82Confident86 Ų8684.4 Ų84.440%0.40247%0.47SS..Hα-helixtrans-64.2-47.1175.3-172.155.847.800111.9R91 Q92 A97 I98 D99R91-Q95 PolarHBondContact O-N 3.49Å; Q92-Q95 WeakPolarHBondContact O-CB 3.4Å; Q92-Q95 PolarHBondContact O-N 3.3Å; Q92-Q95 VanDerWaalsContact O-N 3.15Å; Q95-A97 VanDerWaalsContact C-N 3.28Å; Q95-A97 PolarHBondContact O-N 2.89Å; Q95-I98 WeakPolarHBondContact O-CB 3.41Å; Q95-I98 PolarHBondContact O-N 3.28Å; Q95-D99 PolarHBondContact NE2-OD1 2.64Å; Q95-D99 VanDerWaalsContact NE2-OD1 3.08Å; Q95-D99 PolarHBondContact NE2-OD2 2.99Å; Q95-D99 PolarHBondContact O-N 3.09Å
96D88Confident79.6Confident78 Ų7888.4 Ų88.442%0.41749%0.489SS..Hα-helixtrans-61-35.8177.7-62.9-20.1000112.2Q92 D99 T100Q92-D96 PolarHBondContact NE2-OD1 2.95Å; Q92-D96 PolarHBondContact O-N 3.42Å; D96-D99 PolarHBondContact O-N 3.04Å; D96-T100 WeakPolarHBondContact O-CB 3.47Å; D96-T100 WeakPolarHBondContact O-CG2 3.49Å; D96-T100 PolarHBondContact O-N 3.34Å; D96-T100 PolarHBondContact O-OG1 3.42Å
97A85.2Confident76.9Confident50 Ų5093 Ų9341%0.41352%0.516SS..Hα-helixtrans-67.7-36.2174.700000112.6K93 K94 Q95 T100 T101K93-A97 WeakPolarHBondContact O-CB 3.28Å; K93-A97 PolarHBondContact O-N 3.01Å; K93-A97 VanDerWaalsContact O-N 3.08Å; K94-A97 PolarHBondContact O-N 3.26Å; Q95-A97 VanDerWaalsContact C-N 3.28Å; Q95-A97 PolarHBondContact O-N 2.89Å; A97-T100 WeakPolarHBondContact CA-OG1 3.5Å; A97-T100 PolarHBondContact O-OG1 3.12Å; A97-T100 VanDerWaalsContact O-OG1 3.09Å; A97-T101 WeakPolarHBondContact O-CG2 3.4Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 PolarHBondContact O-OG1 3.01Å
98I83.3Confident74Confident63 Ų6398 Ų9832%0.32355%0.551SS.*Hα-helixtrans-68.4-40.3174.2-67.2163.4000110.3K94 Q95 T101 K102K94-I98 HydrophobicContact CG-CD1 4.4Å; K94-I98 WeakPolarHBondContact O-CD1 3.31Å; K94-I98 VanDerWaalsContact O-CG1 3.3Å; K94-I98 WeakPolarHBondContact O-CG1 3.43Å; K94-I98 PolarHBondContact O-N 3.48Å; K94-I98 VanDerWaalsContact O-N 3.12Å; Q95-I98 WeakPolarHBondContact O-CB 3.41Å; Q95-I98 PolarHBondContact O-N 3.28Å; I98-T101 PolarHBondContact O-N 3.44Å; I98-T101 PolarHBondContact O-OG1 2.86Å; I98-K102 HydrophobicContact CG2-CD 4.06Å; I98-K102 WeakPolarHBondContact O-CB 3.42Å; I98-K102 WeakPolarHBondContact O-CG 3.47Å; I98-K102 PolarHBondContact O-N 2.91Å
99D81Confident71Confident77 Ų77101.9 Ų101.941%0.41257%0.569SS.*Hα-helixtrans-71.3-36.9-178.3-64.6-26.6000111.8Q95 D96 K102 A103Q95-D99 PolarHBondContact NE2-OD1 2.64Å; Q95-D99 VanDerWaalsContact NE2-OD1 3.08Å; Q95-D99 PolarHBondContact NE2-OD2 2.99Å; Q95-D99 PolarHBondContact O-N 3.09Å; D96-D99 PolarHBondContact O-N 3.04Å; D99-K102 PolarHBondContact O-N 3.39Å; D99-A103 WeakPolarHBondContact O-CB 3.29Å; D99-A103 PolarHBondContact O-N 2.97Å
100T79.2Confident68.3Low96 Ų96101.5 Ų101.559%0.58958%0.583SS**Hα-helixtrans-68.5-36.1174.544.30000113.5D96 A97 G104D96-T100 WeakPolarHBondContact O-CB 3.47Å; D96-T100 WeakPolarHBondContact O-CG2 3.49Å; D96-T100 PolarHBondContact O-N 3.34Å; D96-T100 PolarHBondContact O-OG1 3.42Å; A97-T100 WeakPolarHBondContact CA-OG1 3.5Å; A97-T100 PolarHBondContact O-OG1 3.12Å; A97-T100 VanDerWaalsContact O-OG1 3.09Å; T100-G104 PolarHBondContact O-N 2.93Å
101T76.1Confident65.4Low99 Ų99105.8 Ų105.861%0.60761%0.611SS**Hα-helixtrans-72.8-33.8175.5510000112.5A97 I98A97-T101 WeakPolarHBondContact O-CG2 3.4Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 PolarHBondContact O-OG1 3.01Å; I98-T101 PolarHBondContact O-N 3.44Å; I98-T101 PolarHBondContact O-OG1 2.86Å
102K64Low62.7Low154 Ų154106.6 Ų106.667%0.6763%0.63SS**Hα-helixtrans-69.9-34.5174-74.1176.6-179.21750113I98 D99 G104I98-K102 HydrophobicContact CG2-CD 4.06Å; I98-K102 WeakPolarHBondContact O-CB 3.42Å; I98-K102 WeakPolarHBondContact O-CG 3.47Å; I98-K102 PolarHBondContact O-N 2.91Å; D99-K102 PolarHBondContact O-N 3.39Å; K102-G104 VanDerWaalsContact C-N 3.32Å; K102-G104 PolarHBondContact O-N 3.21Å
103A57.5Low59.8Low89 Ų89113 Ų11374%0.73665%0.65SS**Hα-helixtrans-74.5-18.6177.600000114D99D99-A103 WeakPolarHBondContact O-CB 3.29Å; D99-A103 PolarHBondContact O-N 2.97Å
104G53.4Low57.9Low61 Ų61109.8 Ų109.863%0.62965%0.646SS**THydrogen-bonded Turntrans-86.9-4.4-176.700000116.4T100 K102T100-G104 PolarHBondContact O-N 2.93Å; K102-G104 VanDerWaalsContact C-N 3.32Å; K102-G104 PolarHBondContact O-N 3.21Å
105C45.9Very low55Low111 Ų111113.5 Ų113.575%0.7567%0.669SS**  trans-109.647.9-172.2-89.90000114.4
106I42.1Very low52.3Low161 Ų161115 Ų11583%0.82669%0.689SS**  trans-147.576.3157.5-49.6178.6000110.5
107V37.9Very low49.5Very low131 Ų131120.6 Ų120.679%0.79471%0.71SS**SBendtrans-152.8116.9138.8176.50000109.1
108S33.3Very low47.1Very low107 Ų107125 Ų12575%0.74873%0.734SS**  trans72.5103.9153.9-59.10000121S110S108-S110 PolarHBondContact O-N 3.35Å
109N28.8Very low44.2Very low168 Ų168126.4 Ų126.490%0.89875%0.75SS**  trans-33.3115.6141.4-70.8-13.5000113.1
110S36.4Very low41.5Very low120 Ų120127.7 Ų127.784%0.83976%0.76SS**  trans-118.999.9142.152.50000107.7S108S108-S110 PolarHBondContact O-N 3.35Å
111S32.4Very low38.8Very low118 Ų118129.2 Ų129.283%0.82577%0.765SS**  trans-63.9127.3170.7-172.80000110.7
112S35.9Very low36.5Very low107 Ų107130.9 Ų130.975%0.74877%0.77SS**  trans160102.4144.546.10000109.6
113R31.1Very low34.9Very low241 Ų241132.2 Ų132.291%0.90978%0.776SS**  78.8152.891.1-110.7-144.7164.2-150.1-0.7114.5
114P49.3Very low33.6Very low93 Ų93136.3 Ų136.360%0.60478%0.78SS**  trans-112.1174.8-131.918.16.7000113.5
115L27.4Very low32.2Very low174 Ų174137.5 Ų137.591%0.91178%0.784SS**  trans4.9115.3162.7-93.774.7000116.2
116S30.9Very low31.6Very low118 Ų118138.3 Ų138.383%0.82579%0.788SS**  trans-155.9131.3142.614.20000111.9
117K27.9Very low30.8Very low195 Ų195140.6 Ų140.685%0.84879%0.792SS**  trans-55.2140.9176.1-61162.2178.1172.70111S119K117-S119 PolarHBondContact O-N 3.26Å
118P35.6Very low30.3Very low141 Ų141138 Ų13892%0.91679%0.792SS**  trans-78.5109.1165.429.5-27.6000109.1
119S22.1Very low29.8Very low94 Ų94143.7 Ų143.766%0.65780%0.798SS**  trans-110.8138161.7-172.80000108.4K117K117-S119 PolarHBondContact O-N 3.26Å
120T24.3Very low29.6Very low104 Ų104141.8 Ų141.864%0.63879%0.793SS**  trans73.7111.6152.130.90000120.6
121N22.9Very low29.9Very low127 Ų127141.7 Ų141.768%0.67979%0.789SS**  77.7111125.1-57.2-11.5000118.8
122N28.5Very low29.6Very low135 Ų135142.4 Ų142.472%0.72279%0.789SS**  177.3132.694.2-89.9-41.5000112.1
123K28.7Very low28.9Very low181 Ų181147.6 Ų147.679%0.78779%0.792SS**  trans63.8127.6147.6-58.1173.6-178.1-178.10115.5
124E30.2Very low28.5Very low176 Ų176140.8 Ų140.882%0.82278%0.781SS**  cis-165.5136.329.5-146.6159.5-177.400106.6
125A24Very low27.4Very low86 Ų86144 Ų14471%0.71179%0.793SS**  trans-68.9146.7175.600000110.5
126P33.4Very low28.2Very low128 Ų128140.4 Ų140.483%0.83178%0.781SS**  -121.6123.2119.522.9-9.8000109.9
127K26Very low28.1Very low209 Ų209142.8 Ų142.891%0.90978%0.778SS**  trans-61.6127.5166.7-69.3171.4175176.20108.7
128G26.7Very low27.9Very low77 Ų77141.7 Ų141.779%0.79478%0.776SS**  trans-157.467.2173.600000110.6
129Y22.7Very low27.6Very low225 Ų225139.2 Ų139.288%0.88278%0.776SS**  trans-66.4131.5154.7-97.5-97.1000108
130T25.6Very low27.6Very low128 Ų128144.1 Ų144.179%0.78579%0.786SS**  176147.9117.331.50000111.6
131P42.5Very low27.4Very low119 Ų119147.3 Ų147.377%0.77380%0.798SS**  trans-92.3139-175.335.4-29.1000111.7
132T25.5Very low27.6Very low132 Ų132147.3 Ų147.381%0.8180%0.798SS**  trans-130.498167-480000105.8
133R21.2Very low27.3Very low217 Ų217147.7 Ų147.782%0.81981%0.805SS**  66.6112.680.4-165.9-177.1-178.7-174.30.7112.4
134S24Very low27.2Very low98 Ų98145.4 Ų145.469%0.68580%0.802SS**  trans66.4141.1149.168.90000117.5
135N26Very low27Very low159 Ų159142.7 Ų142.785%0.8580%0.798SS**  cis-170.1-173.81.7-127.75.8000107.4
136P42.5Very low27Very low100 Ų100144.4 Ų144.465%0.64980%0.804SS**  trans-94.7158.7-149.539.5-36.2000114.7
137H29.5Very low26.9Very low167 Ų167147.9 Ų147.977%0.77381%0.806SS**  trans-140.8104.9149.2-111.3-72.2000110.2
138E24.7Very low26.8Very low172 Ų172146 Ų14680%0.80480%0.798SS**  40.3108.9128.9-62.8178.2151.900119.4
139G27.9Very low26.8Very low89 Ų89150.6 Ų150.692%0.91880%0.803SS**  trans-160.367.1157.500000108.8
140K22.3Very low26.6Very low197 Ų197144.8 Ų144.886%0.85779%0.791SS**  trans-112.1149.6175.5-140177.6-170.1-1800108.8
141L21Very low26.6Very low172 Ų172146.1 Ų146.190%0.90179%0.789SS**  trans99.2121.8177.1-55.2167.6000112.3
142N26.5Very low25.7Very low127 Ų127148.8 Ų148.868%0.67979%0.788SS**  cis-139144.629.86858.8000113.1
143T23.2Very low25.5Very low142 Ų142151.5 Ų151.587%0.87179%0.791SS**  trans-121.2101.5152.1410000105.5T145T143-T145 PolarHBondContact O-N 3.35Å
144N26.6Very low25.7Very low133 Ų133144.8 Ų144.871%0.71179%0.789SS**  trans-93.1104174.7-79.6-8.7000110.1
145T25.9Very low25.6Very low120 Ų120146.9 Ų146.974%0.73679%0.793SS**  trans65.691.513745.10000119.6T143 K147T143-T145 PolarHBondContact O-N 3.35Å; T145-K147 PolarHBondContact O-N 3.47Å
146S24.1Very low25.6Very low121 Ų121146.5 Ų146.585%0.84679%0.791SS**  trans-57.5120.2136.2-58.60000110.5K148S146-K148 PolarHBondContact O-N 3.27Å
147K30.9Very low24.9Very low201 Ų201146.5 Ų146.587%0.87479%0.793SS**  trans-88.291.2158.4-85-179.4176.4176.20108.2T145T145-K147 PolarHBondContact O-N 3.47Å
148K24.3Very low24.7Very low171 Ų171147.4 Ų147.474%0.74380%0.798SS**  trans-96.4106.5158.4-177.4177.3-178.5-174.10106.4S146 T150S146-K148 PolarHBondContact O-N 3.27Å; K148-T150 HydrophobicContact CG-CG2 4.25Å
149L25Very low24.8Very low173 Ų173147.5 Ų147.591%0.90680%0.803SS**  trans-83.2111.3167.9-80.4163.4000107.8
150T20.3Very low24.7Very low102 Ų102148.4 Ų148.463%0.62680%0.795SS**  trans-134.399.1163.844.90000107.7K148K148-T150 HydrophobicContact CG-CG2 4.25Å
151E24.5Very low24.7Very low156 Ų156145.3 Ų145.373%0.72979%0.793SS**  trans-164.4143.6159.6-85-159.8136.500104.6
152K24.8Very low25Very low176 Ų176142.6 Ų142.677%0.76579%0.788SS**  cis-169.9161.5-0.9-117.4173.9178.6155.90106.2
153H20.5Very low25Very low189 Ų189141.2 Ų141.288%0.87579%0.794SS**  trans-39.7144.9166.6-90.3-58.3000115.8
154G24.9Very low25.3Very low75 Ų75143.1 Ų143.177%0.77380%0.798SS**  trans-172100.9161.900000111.7
155N21.6Very low25.3Very low143 Ų143141.5 Ų141.577%0.76580%0.804SS**  trans-72.8145.4168.8-60.8-38000110.6
156N26.7Very low25.3Very low151 Ų151144.5 Ų144.581%0.80781%0.809SS**  trans162101.1145.5-84.3-9.4000108.4
157S27.9Very low25.5Very low100 Ų100143.4 Ų143.470%0.69980%0.799SS**  65.7109.291.2740000114.9
158Q26Very low25.2Very low186 Ų186144.9 Ų144.987%0.86980%0.799SS**  trans51.3114151-70.2-168.4-19.600119.7
159L25.7Very low25.4Very low173 Ų173145.6 Ų145.691%0.90680%0.803SS**  trans-15099.4136.4-104.6135.4000110.7
160S26.4Very low25.4Very low108 Ų108145 Ų14576%0.75580%0.795SS**  trans51.7117.3137.3-54.40000122.2
161T22.4Very low25.4Very low133 Ų133145 Ų14582%0.81680%0.799SS**  trans-46.3141.1156.6520000116.4
162S27Very low25.6Very low114 Ų114143 Ų14380%0.79780%0.799SS**  trans178.5101.4132.528.80000108.9
163A27Very low25.5Very low98 Ų98140.9 Ų140.981%0.8180%0.801SS**  78.790.699.400000114.8
164L29.2Very low25.9Very low182 Ų182137 Ų13795%0.95379%0.79SS**  trans-146.9128.5139.6-152.671.1000108.6
165A27.3Very low25.9Very low100 Ų100139.2 Ų139.283%0.82679%0.789SS**  trans-74.4125.4-154.200000114.5
166E25.1Very low26.3Very low182 Ų182138.3 Ų138.385%0.8579%0.789SS**  trans-80.5128.9157.1-110.8176.8159.100109.4R168E166-R168 PolarHBondContact O-N 3.02Å; E166-R168 VanDerWaalsContact O-N 3.12Å
167P27.5Very low26.3Very low99 Ų99139.7 Ų139.764%0.64379%0.788SS**  trans-76.1102.9176.829.1-29.3000109.7F169P167-F169 HydrophobicContact CB-CD2 4.47Å; P167-F169 HydrophobicContact CB-CE2 4.16Å; P167-F169 HydrophobicContact CG-CE2 4.29Å; P167-F169 PolarHBondContact O-N 3.37Å
168R24.4Very low26.3Very low231 Ų231142.3 Ų142.387%0.87279%0.794SS**  trans-61.597.1162-81.8-175.4177.4165.1-1109.2E166 Q170E166-R168 PolarHBondContact O-N 3.02Å; E166-R168 VanDerWaalsContact O-N 3.12Å; R168-Q170 PolarHBondContact O-N 3.12Å
169F30.1Very low26.3Very low186 Ų186137.1 Ų137.182%0.81679%0.79SS**  trans-74.387.1155.1-72.6-79.3000107.7P167 C171P167-F169 HydrophobicContact CB-CD2 4.47Å; P167-F169 HydrophobicContact CB-CE2 4.16Å; P167-F169 HydrophobicContact CG-CE2 4.29Å; P167-F169 PolarHBondContact O-N 3.37Å; F169-C171 PolarHBondContact O-N 2.97Å; F169-C171 VanDerWaalsContact O-N 3.15Å
170Q24.1Very low26.6Very low160 Ų160136.7 Ų136.775%0.74879%0.788SS**  trans-65.4109.4165.4-167.975.623.700107.2R168R168-Q170 PolarHBondContact O-N 3.12Å
171C21.3Very low26.9Very low104 Ų104140.6 Ų140.670%0.70380%0.795SS**  trans-52125.9173-690000109.9F169 V173F169-C171 PolarHBondContact O-N 2.97Å; F169-C171 VanDerWaalsContact O-N 3.15Å; C171-V173 PolarHBondContact O-N 3.01Å; C171-V173 VanDerWaalsContact O-N 3.07Å
172P27.1Very low27.2Very low114 Ų114141.7 Ų141.774%0.7480%0.795SS**  trans-67.7111.2177.1-15.429.3000109.4V174P172-V174 VanDerWaalsContact C-N 3.29Å; P172-V174 HydrophobicContact CB-CG2 4.14Å; P172-V174 PolarHBondContact O-N 3.42Å
173V23.5Very low27.6Very low130 Ų130141.4 Ų141.479%0.78879%0.79SS**  trans-67.894.5160.7175.20000106.2C171 T175C171-V173 PolarHBondContact O-N 3.01Å; C171-V173 VanDerWaalsContact O-N 3.07Å; V173-T175 HydrophobicContact CG1-CG2 4.19Å; V173-T175 PolarHBondContact O-N 3.41Å
174V28.2Very low27.8Very low108 Ų108142.8 Ų142.866%0.65579%0.788SS**  trans-89.3101.7170.1175.10000107.1P172 T176P172-V174 VanDerWaalsContact C-N 3.29Å; P172-V174 HydrophobicContact CB-CG2 4.14Å; P172-V174 PolarHBondContact O-N 3.42Å; V174-T176 HydrophobicContact CG1-CG2 3.83Å; V174-T176 PolarHBondContact O-N 2.9Å
175T24.7Very low28.2Very low121 Ų121139.8 Ų139.874%0.74278%0.778SS**  trans-76.396.3164.652.90000108.4V173V173-T175 HydrophobicContact CG1-CG2 4.19Å; V173-T175 PolarHBondContact O-N 3.41Å
176T31.4Very low28.5Very low125 Ų125142.5 Ų142.577%0.76778%0.778SS**  trans-91.7110.2162.742.90000108.4V174V174-T176 HydrophobicContact CG1-CG2 3.83Å; V174-T176 PolarHBondContact O-N 2.9Å
177K26.2Very low28.9Very low180 Ų180139.3 Ų139.378%0.78377%0.767SS**  trans-70.5146.5165.5-68.9-174.9171.2-175.20109.6
178D27.2Very low29.7Very low155 Ų155141.2 Ų141.283%0.82978%0.779SS**SBendtrans69.5123.8159.2-51.1-37.4000116.9
179G25.8Very low30.2Very low77 Ų77135 Ų13579%0.79477%0.767SS**  trans-78.5141.4-162.200000113.8
180D32.5Very low30.6Very low163 Ų163134.6 Ų134.687%0.87277%0.768SS**  trans-126.2123.7152.3-83.7-39.6000107.5L182D180-L182 PolarHBondContact O-N 3.47Å
181H32Very low30.9Very low191 Ų191137.8 Ų137.888%0.88477%0.774SS**  trans-51.2125.6-177.9-105.1-91.7000112.1
182L30.4Very low31.8Very low156 Ų156140.1 Ų140.182%0.81778%0.779SS**  trans-61.5126.3158.5-70.5169.3000108.1D180 V184D180-L182 PolarHBondContact O-N 3.47Å; L182-V184 PolarHBondContact O-N 3.22Å; L182-V184 VanDerWaalsContact O-N 3.13Å
183P33.8Very low31.9Very low107 Ų107142.6 Ų142.670%0.69578%0.781SS**  trans-72.8110.4171.628.6-28.5000108T185P183-T185 PolarHBondContact O-N 3.35Å
184V31.7Very low32.4Very low127 Ų127143.6 Ų143.677%0.7778%0.78SS**  trans-68.2105.7157.6175.90000105.8L182L182-V184 PolarHBondContact O-N 3.22Å; L182-V184 VanDerWaalsContact O-N 3.13Å
185T38.2Very low32.3Very low120 Ų120147 Ų14774%0.73679%0.786SS**  trans-129101.1164.854.30000108.6P183 D187P183-T185 PolarHBondContact O-N 3.35Å; T185-D187 PolarHBondContact O-N 3.01Å
186D32.6Very low32.6Very low156 Ų156148.9 Ų148.983%0.83479%0.791SS**  trans-62.898.3160.8-63.1-53.5000109.3
187D35.2Very low32.4Very low116 Ų116147.3 Ų147.362%0.6279%0.785SS**  trans-170.1109.2145.7-166.2-5.1000109.8T185 T189T185-D187 PolarHBondContact O-N 3.01Å; D187-T189 PolarHBondContact O-N 3.43Å; D187-T189 WeakPolarHBondContact OD1-CB 3.38Å; D187-T189 PolarHBondContact OD1-N 3.37Å; D187-T189 PolarHBondContact OD1-OG1 3.09Å
188P43.3Very low32.6Very low139 Ų139148.7 Ų148.790%0.90379%0.791SS**THydrogen-bonded Turntrans-78.625.3-178.231.3-33.1000114.6
189T35.2Very low32.9Very low101 Ų101147.8 Ų147.862%0.6279%0.786SS**THydrogen-bonded Turntrans-108.5-3.3-168-43.50000115.9D187 Y191D187-T189 PolarHBondContact O-N 3.43Å; D187-T189 WeakPolarHBondContact OD1-CB 3.38Å; D187-T189 PolarHBondContact OD1-N 3.37Å; D187-T189 PolarHBondContact OD1-OG1 3.09Å; T189-Y191 PolarHBondContact O-N 2.94Å
190E38.9Very low33.2Very low177 Ų177153.8 Ų153.883%0.82779%0.791SS**  trans-86.999.9-177.4-150.4178-165.400113.4L192E190-L192 PolarHBondContact O-N 2.66Å
191Y29.2Very low33.1Very low226 Ų226152.4 Ų152.489%0.88679%0.788SS**  trans-68.8113.3167.6-95.1-99.6000110.4T189 E193T189-Y191 PolarHBondContact O-N 2.94Å; Y191-E193 PolarHBondContact O-N 2.99Å
192L41.6Very low33Very low154 Ų154151.9 Ų151.981%0.80679%0.786SS**  trans-71.3108.7172.1-71.6172000110.9E190 I194E190-L192 PolarHBondContact O-N 2.66Å; L192-I194 PolarHBondContact O-N 2.92Å
193E28.9Very low32.6Very low166 Ų166152.5 Ų152.578%0.77679%0.785SS**  trans-66.3110175.9-160.5-176.3-14800110.7Y191 K195Y191-E193 PolarHBondContact O-N 2.99Å; E193-K195 PolarHBondContact O-N 2.9Å
194I32.7Very low32.5Very low150 Ų150157 Ų15777%0.76979%0.793SS**  trans-72.194.6177.2-55.4172.4000108.9L192 L196L192-I194 PolarHBondContact O-N 2.92Å; I194-L196 PolarHBondContact O-N 3.5Å
195K27.5Very low32.2Very low180 Ų180155.7 Ų155.778%0.78379%0.79SS**  trans-68.499.6170.1-82.5175.4179.8162.70110.8E193 S197E193-K195 PolarHBondContact O-N 2.9Å; K195-S197 PolarHBondContact O-N 3.16Å; K195-S197 VanDerWaalsContact O-N 3.12Å
196L29.3Very low31.6Very low160 Ų160157.5 Ų157.584%0.83879%0.794SS**  trans-66101.2167.1-75.8159.2000110.2I194 K198I194-L196 PolarHBondContact O-N 3.5Å; L196-K198 PolarHBondContact O-N 2.97Å
197S29.2Very low31.5Very low93 Ų93155.8 Ų155.865%0.6579%0.789SS**  trans-74.3116.5169.467.10000110K195 N199K195-S197 PolarHBondContact O-N 3.16Å; K195-S197 VanDerWaalsContact O-N 3.12Å; S197-N199 PolarHBondContact O-N 3.33Å; S197-N199 PolarHBondContact O-OD1 3.24Å; S197-N199 PolarHBondContact OG-OD1 3.09Å
198K29.8Very low31.1Very low208 Ų208156.7 Ų156.790%0.90479%0.794SS**  trans-6697.3173.7-64.1178.2-179.2179.20109.7L196 K200L196-K198 PolarHBondContact O-N 2.97Å; K198-K200 PolarHBondContact O-N 3.46Å
199N33.5Very low30.3Very low137 Ų137157 Ų15773%0.73379%0.788SS**  trans-81.7108.8171.6-65.60.4000108.2S197 T201S197-N199 PolarHBondContact O-N 3.33Å; S197-N199 PolarHBondContact O-OD1 3.24Å; S197-N199 PolarHBondContact OG-OD1 3.09Å; N199-T201 PolarHBondContact O-N 3.39Å
200K31.8Very low29.9Very low202 Ų202159.7 Ų159.788%0.87879%0.793SS**  trans-61116.5168.4-86.8178.8171.4-178.90108.8K198 H202K198-K200 PolarHBondContact O-N 3.46Å; K200-H202 PolarHBondContact O-N 3.02Å
201T30.1Very low29.4Very low135 Ų135159.1 Ų159.183%0.82879%0.79SS**  trans-53115.3163.1-42.30000109.1N199N199-T201 PolarHBondContact O-N 3.39Å
202H29.3Very low29.4Very low179 Ų179157.2 Ų157.283%0.82979%0.787SS**  trans-121.5113.6159.4-134-72000106.8K200K200-H202 PolarHBondContact O-N 3.02Å
203E23.2Very low28.7Very low170 Ų170156.3 Ų156.379%0.79478%0.782SS**  trans-50.9133.2163.1-71.4173.511800110.1
204K31.7Very low28.9Very low200 Ų200156.9 Ų156.987%0.8779%0.785SS**  -178.7125.9118.2-97.5170.1-175-176.90111.6
205S25.7Very low28.7Very low100 Ų100158.1 Ų158.170%0.69979%0.792SS**  trans78.4105.2130.9-170.80000120.7
206L25.1Very low28.9Very low158 Ų158153.6 Ų153.683%0.82778%0.783SS**  56.9114.7125.7-80.9148.7000120.2
207V29.7Very low29.1Very low121 Ų121151.3 Ų151.373%0.73378%0.781SS**  158.5120.8104.8168.50000110.6
208N27.6Very low29.4Very low134 Ų134157.9 Ų157.972%0.71779%0.791SS**  trans24.5129.1148.2-62.3-15.7000122.6
209N26Very low29.7Very low145 Ų145156.8 Ų156.878%0.77579%0.786SS**  28.5129.8124.2-47.3-26.8000116.7
210H27.7Very low30Very low159 Ų159157 Ų15774%0.73679%0.787SS**  -178.515253.6-139-33000107.3
211E27.9Very low30.5Very low164 Ų164154.6 Ų154.677%0.76678%0.779SS**  trans66.2118.6149.6-77.8169.1-178.500120.7
212K28.2Very low31.3Very low187 Ų187155.3 Ų155.381%0.81378%0.777SS**  trans114.2106.9143-154.1168.7-172.8-179.20116
213L26.9Very low32.9Very low135 Ų135149.9 Ų149.971%0.70776%0.759SS**  trans62.392.1150.5-62.2170.4000117.9
214Q34Very low35.3Very low178 Ų178146.6 Ų146.683%0.83276%0.755SS**  trans-145.1102.8133.5-70.4-156.79.500110.1S216Q214-S216 PolarHBondContact O-N 2.91Å
215L28.7Very low37.4Very low175 Ų175142.1 Ų142.192%0.91674%0.737SS**  trans-68.1106.4153.8-90.293.8000107.3
216S31.9Very low39.9Very low86 Ų86138.9 Ų138.960%0.60172%0.719SS**  trans-152103.5163.650.60000110.7Q214 R218Q214-S216 PolarHBondContact O-N 2.91Å; S216-R218 PolarHBondContact O-N 3.47Å
217S33.7Very low42.3Very low112 Ų112137.8 Ų137.878%0.78371%0.708SS**  trans40.175.5146.7-132.40000117.2K219S217-K219 VanDerWaalsContact C-N 3.35Å; S217-K219 PolarHBondContact O-N 3.41Å; S217-K219 VanDerWaalsContact O-N 3.12Å
218R34.2Very low45.1Very low231 Ų231136.8 Ų136.887%0.87269%0.694SS**  trans-81.886164.9-156.4173.6-150.5175.35.1108.5S216 D220S216-R218 PolarHBondContact O-N 3.47Å; R218-D220 PolarHBondContact O-N 3.49Å
219K36.2Very low48Very low184 Ų184137.4 Ų137.480%0.869%0.687SS**  trans-55.5119.6168.7-87.7172.2173.31720109.1S217 H221S217-K219 VanDerWaalsContact C-N 3.35Å; S217-K219 PolarHBondContact O-N 3.41Å; S217-K219 VanDerWaalsContact O-N 3.12Å; K219-H221 PolarHBondContact O-N 3.19Å
220D39.6Very low50.7Low142 Ų142138.5 Ų138.576%0.75968%0.681SS**  trans-63.3116.6177.3-65.4-47.5000110.2R218 L222R218-D220 PolarHBondContact O-N 3.49Å; D220-L222 PolarHBondContact O-N 3.4Å; D220-L222 VanDerWaalsContact O-N 3.12Å
221H42.3Very low53.5Low152 Ų152134 Ų13470%0.70467%0.667SS**  trans-7295.2168.249.6-70.6000106.7K219 S223K219-H221 PolarHBondContact O-N 3.19Å; H221-S223 PolarHBondContact O-N 3.41Å
222L47.9Very low56.5Low150 Ų150131.2 Ų131.279%0.78565%0.654SS**  trans-61.891.8158.6-79.2154.7000106.6D220 S224D220-L222 PolarHBondContact O-N 3.4Å; D220-L222 VanDerWaalsContact O-N 3.12Å; L222-S224 PolarHBondContact O-N 2.86Å
223S63.6Low59.5Low65 Ų65125.4 Ų125.446%0.45563%0.63SS.*  trans-56.1136-178.71780000109.3H221 E225 G226H221-S223 PolarHBondContact O-N 3.41Å; S223-E225 PolarHBondContact O-N 2.93Å; S223-E225 PolarHBondContact OG-N 2.81Å; S223-G226 PolarHBondContact O-N 3.28Å
224S73.7Confident62.5Low101 Ų101126.7 Ų126.771%0.70663%0.627SS**Hα-helixtrans-48.6-24.8170.8-174.70000112.7L222 K228L222-S224 PolarHBondContact O-N 2.86Å; S224-K228 PolarHBondContact O-N 3.17Å
225E75.4Confident65.2Low106 Ų106125.2 Ų125.250%0.49562%0.618SS.*Hα-helixtrans-69.1-31.8176.7-153.761.7-15000112.7S223 K228 Y229S223-E225 PolarHBondContact O-N 2.93Å; S223-E225 PolarHBondContact OG-N 2.81Å; E225-K228 PolarHBondContact O-N 2.98Å; E225-K228 IonicContact OE1-NZ 2.92Å; E225-K228 PolarHBondContact OE1-NZ 3.25Å; E225-Y229 WeakPolarHBondContact O-CB 3.41Å; E225-Y229 PolarHBondContact O-N 3Å
226G77.3Confident68.2Low31 Ų31120.9 Ų120.932%0.3259%0.593SS.*Hα-helixtrans-62.8-49.8176.900000111.3S223 K228 Y229 W230S223-G226 PolarHBondContact O-N 3.28Å; G226-K228 VanDerWaalsContact C-N 3.28Å; G226-K228 PolarHBondContact O-N 2.9Å; G226-Y229 WeakPolarHBondContact O-CB 3.35Å; G226-Y229 PolarHBondContact O-N 3.39Å; G226-W230 PolarHBondContact O-N 3.38Å
227F76.1Confident71Confident136 Ų136120.7 Ų120.760%0.59659%0.585SS**Hα-helixtrans-60.9-37.7176.6-77.9-72.5000112.7S231F227-S231 WeakPolarHBondContact O-CB 3.31Å; F227-S231 PolarHBondContact O-N 3.11Å; F227-S231 PolarHBondContact O-OG 3.14Å
228K87.5Confident73.6Confident100 Ų100120.7 Ų120.744%0.43558%0.576SS.*Hα-helixtrans-64.4-45.2175-178.5178.2157-139.60111.4S224 E225 G226 S231 E232S224-K228 PolarHBondContact O-N 3.17Å; E225-K228 PolarHBondContact O-N 2.98Å; E225-K228 IonicContact OE1-NZ 2.92Å; E225-K228 PolarHBondContact OE1-NZ 3.25Å; G226-K228 VanDerWaalsContact C-N 3.28Å; G226-K228 PolarHBondContact O-N 2.9Å; K228-S231 WeakPolarHBondContact O-CB 3.44Å; K228-S231 PolarHBondContact O-N 3.3Å; K228-E232 WeakPolarHBondContact CE-OE1 3.23Å; K228-E232 WeakPolarHBondContact O-CG 3.47Å; K228-E232 PolarHBondContact O-N 3.26Å
229Y88.9Confident76.4Confident147 Ų147114.9 Ų114.958%0.57655%0.554SS**Hα-helixtrans-57.9-50.5175.3177.3-93.7000112.2E225 G226 S231 E232 M233E225-Y229 WeakPolarHBondContact O-CB 3.41Å; E225-Y229 PolarHBondContact O-N 3Å; G226-Y229 WeakPolarHBondContact O-CB 3.35Å; G226-Y229 PolarHBondContact O-N 3.39Å; Y229-S231 VanDerWaalsContact C-N 3.28Å; Y229-S231 PolarHBondContact O-N 3.47Å; Y229-E232 PolarHBondContact O-N 3.07Å; Y229-M233 WeakPolarHBondContact O-CB 3.39Å; Y229-M233 PolarHBondContact O-N 3.21Å
230W82.6Confident79.2Confident168 Ų168110 Ų11064%0.63653%0.534SS*.Hα-helixtrans-61.3-37.9177-73.9104.5000112.2G226 M233 Y234G226-W230 PolarHBondContact O-N 3.38Å; W230-M233 HydrophobicContact CE3-CE 3.45Å; W230-M233 VanDerWaalsContact CE3-CE 3.45Å; W230-M233 HydrophobicContact CE3-SD 4.43Å; W230-M233 HydrophobicContact CZ3-CE 3.58Å; W230-M233 HydrophobicContact CZ3-SD 4.45Å; W230-Y234 VanDerWaalsContact O-CB 3.31Å; W230-Y234 WeakPolarHBondContact O-CB 3.48Å; W230-Y234 PolarHBondContact O-N 2.93Å
231S86.5Confident81.5Confident63 Ų63105.8 Ų105.844%0.44152%0.519SS..Hα-helixtrans-67.1-40.6177.4-59.90000112.4F227 K228 Y229 K235F227-S231 WeakPolarHBondContact O-CB 3.31Å; F227-S231 PolarHBondContact O-N 3.11Å; F227-S231 PolarHBondContact O-OG 3.14Å; K228-S231 WeakPolarHBondContact O-CB 3.44Å; K228-S231 PolarHBondContact O-N 3.3Å; Y229-S231 VanDerWaalsContact C-N 3.28Å; Y229-S231 PolarHBondContact O-N 3.47Å; S231-K235 WeakPolarHBondContact O-CG 3.45Å; S231-K235 PolarHBondContact O-N 3.11Å; S231-K235 VanDerWaalsContact O-N 3.14Å
232E91Very high83.8Confident106 Ų106103.4 Ų103.450%0.49551%0.511SS..Hα-helixtrans-68-45.3175.7-76179.3-177.300111.4K228 Y229 Y234 K235 E236K228-E232 WeakPolarHBondContact CE-OE1 3.23Å; K228-E232 WeakPolarHBondContact O-CG 3.47Å; K228-E232 PolarHBondContact O-N 3.26Å; Y229-E232 PolarHBondContact O-N 3.07Å; E232-Y234 VanDerWaalsContact C-N 3.31Å; E232-Y234 PolarHBondContact O-N 3.21Å; E232-K235 WeakPolarHBondContact O-CB 3.33Å; E232-K235 PolarHBondContact O-N 3.09Å; E232-E236 PolarHBondContact O-N 2.95Å
233M92Very high86Confident66 Ų66100.7 Ų100.733%0.32549%0.494SS..Hα-helixtrans-58.6-42.2175-171-164.97400111.7Y229 W230 K235 E236 N237Y229-M233 WeakPolarHBondContact O-CB 3.39Å; Y229-M233 PolarHBondContact O-N 3.21Å; W230-M233 HydrophobicContact CE3-CE 3.45Å; W230-M233 VanDerWaalsContact CE3-CE 3.45Å; W230-M233 HydrophobicContact CE3-SD 4.43Å; W230-M233 HydrophobicContact CZ3-CE 3.58Å; W230-M233 HydrophobicContact CZ3-SD 4.45Å; M233-K235 PolarHBondContact O-N 3.48Å; M233-E236 PolarHBondContact O-N 3.31Å; M233-N237 PolarHBondContact O-N 3.42Å
234Y89.4Confident87.4Confident162 Ų162102.4 Ų102.464%0.63550%0.499SS*.Hα-helixtrans-64.5-39.8177.4-171.8-92.2000112.5W230 E232 E236 N237 L238W230-Y234 VanDerWaalsContact O-CB 3.31Å; W230-Y234 WeakPolarHBondContact O-CB 3.48Å; W230-Y234 PolarHBondContact O-N 2.93Å; E232-Y234 VanDerWaalsContact C-N 3.31Å; E232-Y234 PolarHBondContact O-N 3.21Å; Y234-E236 VanDerWaalsContact C-N 3.32Å; Y234-N237 PolarHBondContact O-N 3.27Å; Y234-L238 PolarHBondContact O-N 3.31Å; Y234-L238 VanDerWaalsContact O-N 3.09Å
235K90.3Very high88.3Confident146 Ų146101.6 Ų101.664%0.63549%0.486SS*.Hα-helixtrans-62.5-41.1174.3-73.8172-177.7178.50111.6S231 E232 M233 L238 R239S231-K235 WeakPolarHBondContact O-CG 3.45Å; S231-K235 PolarHBondContact O-N 3.11Å; S231-K235 VanDerWaalsContact O-N 3.14Å; E232-K235 WeakPolarHBondContact O-CB 3.33Å; E232-K235 PolarHBondContact O-N 3.09Å; M233-K235 PolarHBondContact O-N 3.48Å; K235-L238 PolarHBondContact O-N 3.21Å; K235-R239 PolarHBondContact O-N 2.86Å
236E91.4Very high89.1Confident85 Ų8599.7 Ų99.740%0.39748%0.482SS..Hα-helixtrans-66.9-43.7179.2-174.556-156.300111.9E232 M233 Y234 L238 R239 Q240E232-E236 PolarHBondContact O-N 2.95Å; M233-E236 PolarHBondContact O-N 3.31Å; Y234-E236 VanDerWaalsContact C-N 3.32Å; E236-L238 VanDerWaalsContact C-N 3.27Å; E236-L238 PolarHBondContact O-N 3.18Å; E236-R239 VanDerWaalsContact CD-NE 3.3Å; E236-R239 WeakPolarHBondContact O-CB 3.33Å; E236-R239 PolarHBondContact O-N 3.22Å; E236-R239 VanDerWaalsContact O-N 3.16Å; E236-R239 IonicContact OE1-CZ 3.31Å; E236-R239 IonicContact OE1-NE 3.34Å; E236-R239 PolarHBondContact OE1-NE 3.42Å; E236-R239 IonicContact OE1-NH2 2.88Å; E236-R239 PolarHBondContact OE1-NH2 2.98Å; E236-R239 IonicContact OE2-CZ 3.36Å; E236-R239 IonicContact OE2-NE 2.64Å; E236-R239 PolarHBondContact OE2-NE 3.12Å; E236-Q240 PolarHBondContact O-N 2.88Å
237N91.8Very high89.9Confident82 Ų82101.8 Ų101.844%0.43949%0.488SS..Hα-helixtrans-59.2-39.4174.2-71.5-17000112M233 Y234 Q240 A241M233-N237 PolarHBondContact O-N 3.42Å; Y234-N237 PolarHBondContact O-N 3.27Å; N237-Q240 PolarHBondContact O-N 3.15Å; N237-A241 WeakPolarHBondContact O-CB 3.27Å; N237-A241 PolarHBondContact O-N 3Å
238L88.8Confident90.6Very high111 Ų11199.5 Ų99.558%0.58148%0.482SS*.Hα-helixtrans-68.1-40177-16867.3000111.8Y234 K235 E236 A241 D242Y234-L238 PolarHBondContact O-N 3.31Å; Y234-L238 VanDerWaalsContact O-N 3.09Å; K235-L238 PolarHBondContact O-N 3.21Å; E236-L238 VanDerWaalsContact C-N 3.27Å; E236-L238 PolarHBondContact O-N 3.18Å; L238-A241 PolarHBondContact O-N 2.73Å; L238-D242 PolarHBondContact O-N 3.31Å; L238-D242 VanDerWaalsContact O-N 3.09Å
239R92.7Very high90.6Very high110 Ų11098.8 Ų98.842%0.41548%0.48SS..Hα-helixtrans-60.1-47.3174.4-170.1-167.9747011.2111K235 E236 A241 D242 E243K235-R239 PolarHBondContact O-N 2.86Å; E236-R239 VanDerWaalsContact CD-NE 3.3Å; E236-R239 WeakPolarHBondContact O-CB 3.33Å; E236-R239 PolarHBondContact O-N 3.22Å; E236-R239 VanDerWaalsContact O-N 3.16Å; E236-R239 IonicContact OE1-CZ 3.31Å; E236-R239 IonicContact OE1-NE 3.34Å; E236-R239 PolarHBondContact OE1-NE 3.42Å; E236-R239 IonicContact OE1-NH2 2.88Å; E236-R239 PolarHBondContact OE1-NH2 2.98Å; E236-R239 IonicContact OE2-CZ 3.36Å; E236-R239 IonicContact OE2-NE 2.64Å; E236-R239 PolarHBondContact OE2-NE 3.12Å; R239-A241 VanDerWaalsContact C-N 3.34Å; R239-A241 PolarHBondContact O-N 2.69Å; R239-D242 PolarHBondContact O-N 2.88Å; R239-E243 IonicContact CZ-OE1 3.6Å; R239-E243 IonicContact CZ-OE2 3.43Å; R239-E243 IonicContact NH1-OE1 2.69Å; R239-E243 PolarHBondContact NH1-OE1 3.37Å; R239-E243 IonicContact NH1-OE2 3Å; R239-E243 PolarHBondContact NH1-OE2 2.99Å; R239-E243 IonicContact NH2-OE2 3.64Å; R239-E243 PolarHBondContact O-N 3.49Å
240Q93.7Very high90.6Very high81 Ų8194.6 Ų94.638%0.37947%0.472SS..Hα-helixtrans-64.4-38.2179.3-167.5174.722.300112.2E236 N237 E243 N244E236-Q240 PolarHBondContact O-N 2.88Å; N237-Q240 PolarHBondContact O-N 3.15Å; Q240-E243 PolarHBondContact O-N 3.34Å; Q240-N244 WeakPolarHBondContact O-CB 3.33Å; Q240-N244 VanDerWaalsContact O-CG 3.22Å; Q240-N244 PolarHBondContact O-N 3.18Å; Q240-N244 PolarHBondContact O-ND2 3.34Å
241A88.6Confident91Very high54 Ų5493 Ų9345%0.44647%0.469SS..Hα-helixtrans-63.4-40.5174.600000112.4N237 L238 R239 N244 L245N237-A241 WeakPolarHBondContact O-CB 3.27Å; N237-A241 PolarHBondContact O-N 3Å; L238-A241 PolarHBondContact O-N 2.73Å; R239-A241 VanDerWaalsContact C-N 3.34Å; R239-A241 PolarHBondContact O-N 2.69Å; A241-N244 PolarHBondContact O-N 3.49Å; A241-L245 WeakPolarHBondContact O-CB 3.35Å; A241-L245 PolarHBondContact O-N 3.14Å
242D91.9Very high91.1Very high102 Ų10294.1 Ų94.155%0.54547%0.47SS..Hα-helixtrans-68.5-37.8177.5-164.556000112.3L238 R239 L245 T246L238-D242 PolarHBondContact O-N 3.31Å; L238-D242 VanDerWaalsContact O-N 3.09Å; R239-D242 PolarHBondContact O-N 2.88Å; D242-L245 PolarHBondContact O-N 3.47Å; D242-T246 WeakPolarHBondContact O-CB 3.18Å; D242-T246 PolarHBondContact O-N 2.96Å; D242-T246 PolarHBondContact O-OG1 3.28Å
243E93Very high91.1Very high92 Ų9296.7 Ų96.743%0.4348%0.475SS..Hα-helixtrans-62.1-47.2171.6-74-175.2153.100111.7R239 Q240 L245 T246 V247R239-E243 IonicContact CZ-OE1 3.6Å; R239-E243 IonicContact CZ-OE2 3.43Å; R239-E243 IonicContact NH1-OE1 2.69Å; R239-E243 PolarHBondContact NH1-OE1 3.37Å; R239-E243 IonicContact NH1-OE2 3Å; R239-E243 PolarHBondContact NH1-OE2 2.99Å; R239-E243 IonicContact NH2-OE2 3.64Å; R239-E243 PolarHBondContact O-N 3.49Å; Q240-E243 PolarHBondContact O-N 3.34Å; E243-L245 VanDerWaalsContact C-N 3.3Å; E243-L245 PolarHBondContact O-N 2.64Å; E243-T246 WeakPolarHBondContact O-CB 3.44Å; E243-T246 PolarHBondContact O-N 2.76Å; E243-T246 VanDerWaalsContact O-N 3.12Å; E243-V247 WeakPolarHBondContact O-CG2 3.43Å; E243-V247 PolarHBondContact O-N 2.92Å
244N93.1Very high90.8Very high101 Ų10199 Ų9954%0.5449%0.485SS..Hα-helixtrans-60.3-41.3177.3-72.9-22.3000111.7Q240 A241 V247 L248Q240-N244 WeakPolarHBondContact O-CB 3.33Å; Q240-N244 VanDerWaalsContact O-CG 3.22Å; Q240-N244 PolarHBondContact O-N 3.18Å; Q240-N244 PolarHBondContact O-ND2 3.34Å; A241-N244 PolarHBondContact O-N 3.49Å; N244-V247 PolarHBondContact O-N 3.34Å; N244-L248 WeakPolarHBondContact O-CB 3.47Å; N244-L248 PolarHBondContact O-N 3.45Å
245L91.9Very high90.4Very high84 Ų8494.6 Ų94.644%0.4448%0.478SS..Hα-helixtrans-62.9-42.5174.5-178.961.5000111.4A241 D242 E243 L248 Q249A241-L245 WeakPolarHBondContact O-CB 3.35Å; A241-L245 PolarHBondContact O-N 3.14Å; D242-L245 PolarHBondContact O-N 3.47Å; E243-L245 VanDerWaalsContact C-N 3.3Å; E243-L245 PolarHBondContact O-N 2.64Å; L245-L248 PolarHBondContact O-N 2.84Å; L245-Q249 HydrophobicContact CD1-CG 4.45Å; L245-Q249 WeakPolarHBondContact O-CB 3.34Å; L245-Q249 VanDerWaalsContact O-CG 3.27Å; L245-Q249 WeakPolarHBondContact O-CG 3.46Å; L245-Q249 PolarHBondContact O-N 3.07Å
246T92.4Very high90Very high67 Ų6793.1 Ų93.141%0.41148%0.476SS..Hα-helixtrans-64.1-42.6177.6-60.80000111.9D242 E243 Q249 S250D242-T246 WeakPolarHBondContact O-CB 3.18Å; D242-T246 PolarHBondContact O-N 2.96Å; D242-T246 PolarHBondContact O-OG1 3.28Å; E243-T246 WeakPolarHBondContact O-CB 3.44Å; E243-T246 PolarHBondContact O-N 2.76Å; E243-T246 VanDerWaalsContact O-N 3.12Å; T246-Q249 PolarHBondContact O-N 3.36Å; T246-S250 WeakPolarHBondContact O-CB 3.42Å; T246-S250 PolarHBondContact O-N 3.42Å; T246-S250 PolarHBondContact O-OG 3.09Å
247V94.1Very high89.4Confident75 Ų7594.2 Ų94.246%0.45548%0.484SS..Hα-helixtrans-62.1-45174.7170.90000110.5E243 N244 S250 K251E243-V247 WeakPolarHBondContact O-CG2 3.43Å; E243-V247 PolarHBondContact O-N 2.92Å; N244-V247 PolarHBondContact O-N 3.34Å; V247-S250 PolarHBondContact O-N 2.91Å; V247-K251 HydrophobicContact CG1-CD 4.27Å; V247-K251 WeakPolarHBondContact O-CG 3.32Å; V247-K251 PolarHBondContact O-N 3.49Å
248L91.1Very high88Confident88 Ų8894.7 Ų94.746%0.46149%0.486SS..Hα-helixtrans-62.3-46.8177.5-177.663.8000111.5N244 L245 S250 K251 I252N244-L248 WeakPolarHBondContact O-CB 3.47Å; N244-L248 PolarHBondContact O-N 3.45Å; L245-L248 PolarHBondContact O-N 2.84Å; L248-S250 VanDerWaalsContact C-N 3.25Å; L248-S250 PolarHBondContact O-N 3.39Å; L248-K251 PolarHBondContact O-N 3.2Å; L248-I252 HydrophobicContact CD1-CD1 4.38Å; L248-I252 HydrophobicContact CG-CD1 4.02Å; L248-I252 VanDerWaalsContact O-CG1 3.29Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.08Å
249Q88.3Confident86.2Confident85 Ų8594.1 Ų94.140%0.39749%0.488SS..Hα-helixtrans-59.2-37.7175.8-74.4-179.86.200112.1L245 T246 R253L245-Q249 HydrophobicContact CD1-CG 4.45Å; L245-Q249 WeakPolarHBondContact O-CB 3.34Å; L245-Q249 VanDerWaalsContact O-CG 3.27Å; L245-Q249 WeakPolarHBondContact O-CG 3.46Å; L245-Q249 PolarHBondContact O-N 3.07Å; T246-Q249 PolarHBondContact O-N 3.36Å; Q249-R253 WeakPolarHBondContact O-CB 3.26Å; Q249-R253 WeakPolarHBondContact O-CG 3.4Å; Q249-R253 PolarHBondContact O-N 2.91Å
250S88.9Confident84.2Confident58 Ų5892.9 Ų92.941%0.40650%0.496SS..Hα-helixtrans-68.8-44176.5-57.30000111.6T246 V247 L248 I252 R253 E254T246-S250 WeakPolarHBondContact O-CB 3.42Å; T246-S250 PolarHBondContact O-N 3.42Å; T246-S250 PolarHBondContact O-OG 3.09Å; V247-S250 PolarHBondContact O-N 2.91Å; L248-S250 VanDerWaalsContact C-N 3.25Å; L248-S250 PolarHBondContact O-N 3.39Å; S250-I252 VanDerWaalsContact C-N 3.32Å; S250-I252 PolarHBondContact O-N 3.05Å; S250-R253 WeakPolarHBondContact O-CB 3.26Å; S250-R253 PolarHBondContact O-N 3.19Å; S250-E254 WeakPolarHBondContact O-CG 3.42Å; S250-E254 PolarHBondContact O-N 3.37Å
251K90.9Very high81.6Confident135 Ų13593.1 Ų93.159%0.58751%0.507SS*.Hα-helixtrans-61.2-39.2174.4-73.8178.2178.4-1790112.4V247 L248 S255V247-K251 HydrophobicContact CG1-CD 4.27Å; V247-K251 WeakPolarHBondContact O-CG 3.32Å; V247-K251 PolarHBondContact O-N 3.49Å; L248-K251 PolarHBondContact O-N 3.2Å; K251-S255 WeakPolarHBondContact O-CB 3.42Å; K251-S255 PolarHBondContact O-N 2.93Å; K251-S255 PolarHBondContact O-OG 3.39Å
252I88.4Confident79.1Confident87 Ų8798.1 Ų98.145%0.44652%0.52SS..Hα-helixtrans-63.6-46.3174.4-68.9166.1000109.9L248 S250 S255 L256L248-I252 HydrophobicContact CD1-CD1 4.38Å; L248-I252 HydrophobicContact CG-CD1 4.02Å; L248-I252 VanDerWaalsContact O-CG1 3.29Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.08Å; S250-I252 VanDerWaalsContact C-N 3.32Å; S250-I252 PolarHBondContact O-N 3.05Å; I252-S255 PolarHBondContact O-N 3.36Å; I252-L256 HydrophobicContact CG2-CD1 3.87Å; I252-L256 WeakPolarHBondContact O-CB 3.25Å; I252-L256 VanDerWaalsContact O-CG 3.27Å; I252-L256 WeakPolarHBondContact O-CG 3.4Å; I252-L256 PolarHBondContact O-N 2.88Å
253R90.3Very high76.5Confident160 Ų160102.1 Ų102.160%0.60453%0.533SS*.Hα-helixtrans-59.9-46.9176-79.2177.9157.6112.9-1.2112.4Q249 S250 L256 L257Q249-R253 WeakPolarHBondContact O-CB 3.26Å; Q249-R253 WeakPolarHBondContact O-CG 3.4Å; Q249-R253 PolarHBondContact O-N 2.91Å; S250-R253 WeakPolarHBondContact O-CB 3.26Å; S250-R253 PolarHBondContact O-N 3.19Å; R253-L256 PolarHBondContact O-N 3.18Å; R253-L257 WeakPolarHBondContact O-CB 3.24Å; R253-L257 VanDerWaalsContact O-CG 3.31Å; R253-L257 WeakPolarHBondContact O-CG 3.39Å; R253-L257 PolarHBondContact O-N 2.97Å
254E85.3Confident73.6Confident113 Ų113106.9 Ų106.953%0.52855%0.552SS.*Hα-helixtrans-61.4-44.2176.6-75-62.2156.300111.7S250 L256 L257 L258S250-E254 WeakPolarHBondContact O-CG 3.42Å; S250-E254 PolarHBondContact O-N 3.37Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 3.45Å; E254-L257 PolarHBondContact O-N 3.41Å; E254-L257 VanDerWaalsContact O-N 3.1Å; E254-L258 WeakPolarHBondContact O-CB 3.42Å; E254-L258 WeakPolarHBondContact O-CD1 3.37Å; E254-L258 WeakPolarHBondContact O-CG 3.35Å; E254-L258 PolarHBondContact O-N 2.99Å
255S81.4Confident70.5Confident71 Ų71107.9 Ų107.950%0.49756%0.562SS.*Hα-helixtrans-61.7-38176.9-57.10000111.9K251 I252 T259K251-S255 WeakPolarHBondContact O-CB 3.42Å; K251-S255 PolarHBondContact O-N 2.93Å; K251-S255 PolarHBondContact O-OG 3.39Å; I252-S255 PolarHBondContact O-N 3.36Å; S255-T259 VanDerWaalsContact O-CG2 3.28Å; S255-T259 WeakPolarHBondContact O-CG2 3.47Å; S255-T259 PolarHBondContact O-N 3.43Å; S255-T259 PolarHBondContact O-OG1 3.16Å
256L82.1Confident67.3Low115 Ų115111.3 Ų111.360%0.60258%0.581SS**Hα-helixtrans-72.4-28.5174.8-69.3168.5000113.1I252 R253 E254 T259I252-L256 HydrophobicContact CG2-CD1 3.87Å; I252-L256 WeakPolarHBondContact O-CB 3.25Å; I252-L256 VanDerWaalsContact O-CG 3.27Å; I252-L256 WeakPolarHBondContact O-CG 3.4Å; I252-L256 PolarHBondContact O-N 2.88Å; R253-L256 PolarHBondContact O-N 3.18Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 3.45Å; L256-T259 PolarHBondContact O-OG1 3.5Å
257L78Confident64.2Low107 Ų107113.5 Ų113.556%0.5660%0.599SS**Hα-helixtrans-82.7-36.7176.8-71.4169.9000112.6R253 E254 T259 S260 S261R253-L257 WeakPolarHBondContact O-CB 3.24Å; R253-L257 VanDerWaalsContact O-CG 3.31Å; R253-L257 WeakPolarHBondContact O-CG 3.39Å; R253-L257 PolarHBondContact O-N 2.97Å; E254-L257 PolarHBondContact O-N 3.41Å; E254-L257 VanDerWaalsContact O-N 3.1Å; L257-T259 VanDerWaalsContact C-N 3.3Å; L257-T259 PolarHBondContact O-N 3.44Å; L257-S260 VanDerWaalsContact O-CB 3.32Å; L257-S260 WeakPolarHBondContact O-CB 3.25Å; L257-S260 PolarHBondContact O-N 3.28Å; L257-S261 PolarHBondContact O-N 3.38Å
258L63Low61Low93 Ų93117 Ų11749%0.48761%0.614SS.*Hα-helixtrans-62.7-36.8174-79.5153.7000111.6E254 S260 S261 H262E254-L258 WeakPolarHBondContact O-CB 3.42Å; E254-L258 WeakPolarHBondContact O-CD1 3.37Å; E254-L258 WeakPolarHBondContact O-CG 3.35Å; E254-L258 PolarHBondContact O-N 2.99Å; L258-S260 PolarHBondContact O-N 3.12Å; L258-S261 PolarHBondContact O-N 2.83Å; L258-H262 PolarHBondContact O-CD2 2.99Å; L258-H262 PolarHBondContact O-N 3.27Å
259T50.1Low57.9Low99 Ų99119.6 Ų119.661%0.60763%0.626SS**Hα-helixtrans-67.7-22173.852.70000113.4S255 L256 L257S255-T259 VanDerWaalsContact O-CG2 3.28Å; S255-T259 WeakPolarHBondContact O-CG2 3.47Å; S255-T259 PolarHBondContact O-N 3.43Å; S255-T259 PolarHBondContact O-OG1 3.16Å; L256-T259 PolarHBondContact O-OG1 3.5Å; L257-T259 VanDerWaalsContact C-N 3.3Å; L257-T259 PolarHBondContact O-N 3.44Å
260S50.8Low55Low83 Ų83121.4 Ų121.458%0.5865%0.647SS**Hα-helixtrans-79-38.8173.6162.50000112.4L257 L258L257-S260 VanDerWaalsContact O-CB 3.32Å; L257-S260 WeakPolarHBondContact O-CB 3.25Å; L257-S260 PolarHBondContact O-N 3.28Å; L258-S260 PolarHBondContact O-N 3.12Å
261S40.2Very low51.9Low87 Ų87125.9 Ų125.961%0.60867%0.666SS**Hα-helixtrans-80.8-18.1-174.9-172.40000115.2L257 L258 K263L257-S261 PolarHBondContact O-N 3.38Å; L258-S261 PolarHBondContact O-N 2.83Å; S261-K263 VanDerWaalsContact C-N 3.28Å; S261-K263 PolarHBondContact O-N 2.9Å
262H36.9Very low48.8Very low158 Ų158127.3 Ų127.373%0.73168%0.681SS**THydrogen-bonded Turntrans-84.54.2176.4-75.6-64.8000114.4L258 K264L258-H262 PolarHBondContact O-CD2 2.99Å; L258-H262 PolarHBondContact O-N 3.27Å; H262-K264 PolarHBondContact O-N 3.38Å
263K37Very low45.9Very low186 Ų186127.7 Ų127.781%0.80970%0.696SS**  trans-79.365.6161.1-75.2-174.9178.71780110.7S261S261-K263 VanDerWaalsContact C-N 3.28Å; S261-K263 PolarHBondContact O-N 2.9Å
264K30.8Very low42.9Very low192 Ų192126.3 Ų126.384%0.83571%0.706SS**  trans-134.740.1169.3-128.1-175.1-166.7-178.60113.7H262H262-K264 PolarHBondContact O-N 3.38Å
265T29.2Very low40.2Very low122 Ų122126.8 Ų126.875%0.74872%0.719SS**SBendtrans-157.6129.614748.20000107.9
266N25.1Very low37.5Very low157 Ų157130.5 Ų130.584%0.8473%0.733SS**SBendtrans89.560.8179.9-52.1-18.8000116.3
267S26.6Very low34.9Very low112 Ų112130.1 Ų130.178%0.78374%0.74SS**  trans-146.993.7132.3-167.50000108.4
268I26.7Very low32.3Very low150 Ų150133.8 Ų133.877%0.76976%0.759SS**  trans-62136.6159.8-70.8164.6000106.6
269I26.7Very low30.6Very low141 Ų141134 Ų13472%0.72377%0.769SS**  trans85.483.4179.6-50.9143000114.3
270C26.9Very low29.6Very low124 Ų124139.3 Ų139.384%0.83878%0.783SS**  -16464.8123.5-92.20000107.6
271N24Very low28.6Very low152 Ų152146.8 Ų146.881%0.81380%0.8SS**  trans-83.2115.6158.4-71.4-23.6000106
272N25.5Very low27.7Very low165 Ų165149 Ų14988%0.88281%0.805SS**  trans168.972.5136.3-79.5-8.6000109.8
273A26.7Very low27.4Very low94 Ų94147.3 Ų147.378%0.77781%0.809SS**SBendtrans-156.6115.5145.600000106.9
274T26.9Very low27Very low132 Ų132144 Ų14481%0.8180%0.804SS**  trans-53.7128.8-173.6-28.20000111.3N276T274-N276 PolarHBondContact O-N 3.26Å
275P28.5Very low26.8Very low122 Ų122140.7 Ų140.779%0.79280%0.8SS**  trans-83.899.2-178.731.5-29.6000109.1
276N26.6Very low27Very low149 Ų149142.2 Ų142.280%0.79780%0.802SS**  trans-124.3117.6169.2-105.6-8000111.3T274T274-N276 PolarHBondContact O-N 3.26Å
277S26.1Very low27.3Very low107 Ų107140.3 Ų140.375%0.74880%0.796SS**  trans69.497.4158.9-61.70000119S279S277-S279 PolarHBondContact O-N 3.46Å
278L23.7Very low27.5Very low185 Ų185144.8 Ų144.897%0.96980%0.801SS**  trans-44.2112.9145.1-92.380.3000110.8
279S27.8Very low27.7Very low97 Ų97143.1 Ų143.168%0.67879%0.794SS**  trans-151.5114.8150.364.90000111S277S277-S279 PolarHBondContact O-N 3.46Å
280K29.4Very low28.1Very low211 Ų211140.8 Ų140.892%0.91779%0.791SS**  trans41.385.5154.5-70.4175.8177176.10116.5N282K280-N282 PolarHBondContact O-N 2.89Å
281Y28.4Very low28.4Very low239 Ų239141.6 Ų141.694%0.93778%0.781SS**  trans-76.7109.4160.3-90.9-87.7000110.1
282N22.8Very low29.1Very low134 Ų134140.1 Ų140.172%0.71777%0.773SS**  trans-92.2125.8167-132.4-15.6000107K280 T284K280-N282 PolarHBondContact O-N 2.89Å; N282-T284 VanDerWaalsContact C-N 3.29Å; N282-T284 PolarHBondContact O-N 2.97Å
283P30Very low29.5Very low123 Ų123136.4 Ų136.480%0.79976%0.756SS**SBendtrans-82.178.2-173.233.2-31.6000109
284T28.3Very low30Very low115 Ų115133.6 Ų133.671%0.70673%0.73SS**  trans-15135.7173.8-12.20000113.8N282N282-T284 VanDerWaalsContact C-N 3.29Å; N282-T284 PolarHBondContact O-N 2.97Å
285T26.9Very low30.1Very low123 Ų123132.2 Ų132.276%0.75572%0.718SS**  trans-156.788159.448.50000109.1T287T285-T287 VanDerWaalsContact C-N 3.28Å; T285-T287 PolarHBondContact O-N 3.44Å; T285-T287 VanDerWaalsContact O-N 3.1Å
286I33.2Very low30.3Very low154 Ų154132.7 Ų132.779%0.7971%0.713SS**  trans-79.188165.4-62.1174.3000106.1
287T31Very low30.6Very low117 Ų117129.6 Ų129.672%0.71870%0.703SS**  trans-66.9141.1160.228.50000108.9T285 D289T285-T287 VanDerWaalsContact C-N 3.28Å; T285-T287 PolarHBondContact O-N 3.44Å; T285-T287 VanDerWaalsContact O-N 3.1Å; T287-D289 PolarHBondContact O-N 2.95Å
288K32.1Very low30.8Very low206 Ų206132.3 Ų132.390%0.89670%0.697SS**SBendtrans-62.185-167.2-62.3169.1176.9177.80112.5
289D29.3Very low30.9Very low116 Ų116127.3 Ų127.362%0.6268%0.676SS**  trans-119.191.8156.2-82.7-34.1000108.1T287 H291T287-D289 PolarHBondContact O-N 2.95Å; D289-H291 PolarHBondContact O-N 3.45Å
290S36.1Very low30.9Very low92 Ų92131.4 Ų131.464%0.64368%0.682SS**Hα-helixtrans-63.8-0.1-177.447.50000114.5S294S290-S294 PolarHBondContact O-OG 2.91Å
291H33.7Very low31Very low140 Ų140124.8 Ų124.865%0.64866%0.663SS**Hα-helixtrans-91.2-18.5-177-63.1-64.6000114.4D289 S294 N295D289-H291 PolarHBondContact O-N 3.45Å; H291-S294 PolarHBondContact O-OG 3.43Å; H291-N295 PolarHBondContact O-ND2 3.42Å
292I37.2Very low31.1Very low122 Ų122118 Ų11863%0.62665%0.65SS**Hα-helixtrans-91.3-35.6-179.3-58.7178.4000111.5
293V35.6Very low31.8Very low87 Ų87115.5 Ų115.553%0.52764%0.643SS.*Hα-helixtrans-72.1-31.2179-177.30000111.8N295 L296 S297V293-N295 VanDerWaalsContact C-N 3.27Å; V293-N295 PolarHBondContact O-N 2.96Å; V293-L296 PolarHBondContact O-N 3.37Å; V293-S297 PolarHBondContact O-N 2.93Å; V293-S297 PolarHBondContact O-OG 3.05Å
294S36.1Very low31.9Very low34 Ų34113 Ų11324%0.23862%0.623CS.*Hα-helixtrans-70.3-19.5-179.845.40000114.2S290 H291 S297 R298S290-S294 PolarHBondContact O-OG 2.91Å; H291-S294 PolarHBondContact O-OG 3.43Å; S294-S297 PolarHBondContact O-OG 3.03Å; S294-R298 WeakPolarHBondContact O-CB 3.45Å; S294-R298 PolarHBondContact O-N 3.38Å
295N29.8Very low32.1Very low104 Ų104112.7 Ų112.756%0.55662%0.617SS**Hα-helixtrans-84.1-32.2175.7-71-29.3000112.3H291 V293 C299H291-N295 PolarHBondContact O-ND2 3.42Å; V293-N295 VanDerWaalsContact C-N 3.27Å; V293-N295 PolarHBondContact O-N 2.96Å; N295-C299 PolarHBondContact O-SG 3.41Å; N295-C299 VanDerWaalsContact O-SG 3.33Å
296L31.8Very low32.4Very low131 Ų131112.2 Ų112.269%0.68661%0.609SS**Hα-helixtrans-74.8-29.9175.1-80.3154.7000112.4V293V293-L296 PolarHBondContact O-N 3.37Å
297S33.2Very low32.4Very low84 Ų84109 Ų10959%0.58759%0.593SS**Hα-helixtrans-82.5-18.3176.867.60000114.1V293 S294V293-S297 PolarHBondContact O-N 2.93Å; V293-S297 PolarHBondContact O-OG 3.05Å; S294-S297 PolarHBondContact O-OG 3.03Å
298R30.4Very low32.6Very low164 Ų164108.7 Ų108.762%0.61959%0.586SS**Hα-helixtrans-81-26.2178-98.5-172.2175.999.6-0.2114S294 F300 S301S294-R298 WeakPolarHBondContact O-CB 3.45Å; S294-R298 PolarHBondContact O-N 3.38Å; R298-F300 PolarHBondContact O-N 2.92Å; R298-S301 PolarHBondContact O-N 2.94Å
299C25.9Very low33.1Very low80 Ų80103.3 Ų103.354%0.54157%0.57SS.*THydrogen-bonded Turntrans-70.29.9-177.5-64.40000115.6N295N295-C299 PolarHBondContact O-SG 3.41Å; N295-C299 VanDerWaalsContact O-SG 3.33Å
300F28.3Very low33.5Very low183 Ų183102.7 Ų102.780%0.80357%0.567SS**THydrogen-bonded Turntrans-117.217176-68.1-72.8000114.1R298R298-F300 PolarHBondContact O-N 2.92Å
301S31.9Very low33.4Very low73 Ų73103.4 Ų103.451%0.5156%0.563SS.*SBendtrans-93.2126.2163.3-162.50000109.6R298 S303 D304R298-S301 PolarHBondContact O-N 2.94Å; S301-S303 PolarHBondContact O-N 3.44Å; S301-D304 PolarHBondContact O-N 2.72Å
302S29.1Very low33.3Very low96 Ų96100.9 Ų100.967%0.67156%0.555SS**Hα-helixtrans-51.2-22.4-170.1-52.70000115.4
303S37.1Very low33.3Very low81 Ų81102.9 Ų102.957%0.56656%0.561SS**Hα-helixtrans-72-29.9179-53.20000114S301S301-S303 PolarHBondContact O-N 3.44Å
304D32.2Very low33.2Very low72 Ų72104 Ų10439%0.38557%0.568SS.*Hα-helixtrans-81.1-25.7-177.2-74.5-19.5000112.7S301 L306 N307S301-D304 PolarHBondContact O-N 2.72Å; D304-L306 VanDerWaalsContact C-N 3.29Å; D304-L306 PolarHBondContact O-N 2.92Å; D304-N307 PolarHBondContact O-N 3.42Å
305L32.2Very low32.9Very low108 Ų108109.7 Ų109.757%0.56559%0.586SS**Hα-helixtrans-66.9-30.8172.7-87.5166.6000112.3
306L34.7Very low32.8Very low113 Ų113109.1 Ų109.159%0.59259%0.589SS**Hα-helixtrans-76.7-33.4177.9-66.8174.2000112.2D304 I308 V309 D310D304-L306 VanDerWaalsContact C-N 3.29Å; D304-L306 PolarHBondContact O-N 2.92Å; L306-I308 PolarHBondContact O-N 2.88Å; L306-V309 WeakPolarHBondContact O-CB 3.3Å; L306-V309 PolarHBondContact O-N 3.3Å; L306-D310 PolarHBondContact O-N 3.48Å; L306-D310 VanDerWaalsContact O-N 3.09Å
307N32.6Very low32.7Very low87 Ų87111.5 Ų111.547%0.46559%0.594SS.*Hα-helixtrans-67.8-20.5175.2-86.7-34.3000114D304 N311D304-N307 PolarHBondContact O-N 3.42Å; N307-N311 PolarHBondContact O-ND2 3.1Å
308I36.3Very low32.4Very low110 Ų110117.3 Ų117.356%0.56460%0.603SS**Hα-helixtrans-74.5-31170.9-65.4172.4000110.6L306 N312L306-I308 PolarHBondContact O-N 2.88Å; I308-N312 PolarHBondContact O-ND2 2.56Å
309V41.1Very low32.2Very low92 Ų92115.1 Ų115.156%0.55860%0.603SS**Hα-helixtrans-76.4-41.7179.5176.70000111L306 N311 N312L306-V309 WeakPolarHBondContact O-CB 3.3Å; L306-V309 PolarHBondContact O-N 3.3Å; V309-N311 VanDerWaalsContact C-N 3.34Å; V309-N311 PolarHBondContact O-N 3.02Å; V309-N312 PolarHBondContact O-N 3.4Å
310D37.3Very low32.4Very low104 Ų104119.8 Ų119.856%0.55662%0.616SS**Hα-helixtrans-70.4-28.9-177.7-68.4-24.7000113.1L306 N312L306-D310 PolarHBondContact O-N 3.48Å; L306-D310 VanDerWaalsContact O-N 3.09Å; D310-N312 VanDerWaalsContact C-N 3.32Å; D310-N312 PolarHBondContact O-N 2.87Å
311N34.2Very low32.6Very low106 Ų106117.9 Ų117.957%0.56761%0.613SS**Hα-helixtrans-75.4-19176.9-79.3-48.7000113.8N307 V309 Q313 T314 Y315N307-N311 PolarHBondContact O-ND2 3.1Å; V309-N311 VanDerWaalsContact C-N 3.34Å; V309-N311 PolarHBondContact O-N 3.02Å; N311-Q313 VanDerWaalsContact C-N 3.33Å; N311-Q313 PolarHBondContact O-N 3.5Å; N311-T314 PolarHBondContact O-N 3.27Å; N311-Y315 PolarHBondContact O-N 3.17Å
312N31.7Very low32.3Very low88 Ų88122 Ų12247%0.47163%0.629SS.*Hα-helixtrans-73.5-24.7179.5-75-22.2000112.8I308 V309 D310 T314 Y315 C316I308-N312 PolarHBondContact O-ND2 2.56Å; V309-N312 PolarHBondContact O-N 3.4Å; D310-N312 VanDerWaalsContact C-N 3.32Å; D310-N312 PolarHBondContact O-N 2.87Å; N312-T314 VanDerWaalsContact C-N 3.26Å; N312-T314 PolarHBondContact O-N 3.39Å; N312-Y315 PolarHBondContact O-N 2.97Å; N312-C316 PolarHBondContact O-N 3.43Å; N312-C316 VanDerWaalsContact O-N 3.1Å; N312-C316 PolarHBondContact O-SG 2.97Å
313Q36.8Very low32.1Very low163 Ų163122.6 Ų122.676%0.76263%0.633SS**Hα-helixtrans-71.8-24.7177.8-154.3155.418.800112.6N311N311-Q313 VanDerWaalsContact C-N 3.33Å; N311-Q313 PolarHBondContact O-N 3.5Å
314T35.2Very low31.5Very low110 Ų110124.3 Ų124.368%0.67565%0.645SS**Hα-helixtrans-87.4-32.1174.5-43.80000111.7N311 N312N311-T314 PolarHBondContact O-N 3.27Å; N312-T314 VanDerWaalsContact C-N 3.26Å; N312-T314 PolarHBondContact O-N 3.39Å
315Y29.4Very low31.4Very low155 Ų155125.9 Ų125.961%0.60866%0.659SS**Hα-helixtrans-74.9-33.3-178.7-156.7-98.4000113.1N311 N312 K317 R318 L319N311-Y315 PolarHBondContact O-N 3.17Å; N312-Y315 PolarHBondContact O-N 2.97Å; Y315-K317 PolarHBondContact O-N 3.08Å; Y315-R318 PolarHBondContact O-N 3.4Å; Y315-R318 VanDerWaalsContact O-N 3.17Å; Y315-L319 HydrophobicContact CD1-CD1 4.49Å; Y315-L319 HydrophobicContact CE1-CD1 4.22Å
316C27.6Very low30.9Very low91 Ų91126.6 Ų126.662%0.61567%0.668SS**G310 helixtrans-65.1-22.4178.5-70.20000113.8N312 R318N312-C316 PolarHBondContact O-N 3.43Å; N312-C316 VanDerWaalsContact O-N 3.1Å; N312-C316 PolarHBondContact O-SG 2.97Å; C316-R318 VanDerWaalsContact C-N 3.28Å; C316-R318 PolarHBondContact O-N 3.39Å
317K29.8Very low30.7Very low182 Ų182130.5 Ų130.579%0.79168%0.68SS**G310 helixtrans-75.4-9.1176.2-83.2-178.5177.1175.70114.6Y315Y315-K317 PolarHBondContact O-N 3.08Å
318R26.6Very low30.3Very low206 Ų206136 Ų13678%0.77770%0.7SS**G310 helixtrans-100.4-13.4-177.7-148174.4-162.6117.33.2114.5Y315 C316Y315-R318 PolarHBondContact O-N 3.4Å; Y315-R318 VanDerWaalsContact O-N 3.17Å; C316-R318 VanDerWaalsContact C-N 3.28Å; C316-R318 PolarHBondContact O-N 3.39Å
319L26.7Very low29.9Very low117 Ų117138.6 Ų138.661%0.61371%0.713SS**G310 helixtrans-89.5-4.4-177.5-76.2172.4000114.8Y315 I321Y315-L319 HydrophobicContact CD1-CD1 4.49Å; Y315-L319 HydrophobicContact CE1-CD1 4.22Å; L319-I321 VanDerWaalsContact C-N 3.28Å; L319-I321 PolarHBondContact O-N 3.36Å
320E29.3Very low29.1Very low178 Ų178143 Ų14383%0.83273%0.727SS**G310 helixtrans-77.5-7.2174.9-68-160.4161.800114.5
321I33.7Very low28.4Very low144 Ų144144.9 Ų144.974%0.73874%0.738SS**G310 helixtrans-95-5.9-175.7-57.8176.3000113L319L319-I321 VanDerWaalsContact C-N 3.28Å; L319-I321 PolarHBondContact O-N 3.36Å
322L24Very low28.1Very low160 Ų160146.2 Ų146.284%0.83875%0.749SS**SBendtrans-125.135-174.7-67.5177.2000115.4
323S26.3Very low27.8Very low108 Ų108149.8 Ų149.876%0.75576%0.761SS**  trans-134.8102.7156.1-167.60000111.1
324S23.8Very low27.6Very low116 Ų116148.8 Ų148.881%0.81176%0.761SS**  trans-65.6158.7168.1-154.10000111
325P29.9Very low27.3Very low105 Ų105150.5 Ų150.568%0.68277%0.766SS**  trans-105.9174.7-15139-31.8000115.3
326V22.3Very low27.3Very low124 Ų124149.1 Ų149.175%0.75277%0.769SS**  trans91.2106.7157.9-172.50000117
327K30.3Very low27.5Very low195 Ų195153 Ų15385%0.84878%0.782SS**  -148.9111.2100.6-90.8174.9-169.8-178.90108.9I329K327-I329 PolarHBondContact O-N 3.35Å
328K23.6Very low27.7Very low203 Ų203150.3 Ų150.388%0.88378%0.775SS**  trans-67.9111.9168.2-66.8179.3177.7-177.30107.2
329I27.6Very low27.8Very low164 Ų164145.7 Ų145.784%0.84177%0.774SS**  trans-103.9115.9157.1-66.7171.8000104.4K327K327-I329 PolarHBondContact O-N 3.35Å
330E25.8Very low27.9Very low183 Ų183146 Ų14686%0.85578%0.782SS**  trans-58.6148.6177.8-92.1171.613900112.2
331N22.2Very low28.1Very low145 Ų145144.5 Ų144.578%0.77578%0.776SS**  trans-35.9131.3174.1-68-25000114.9
332T28.3Very low27.9Very low133 Ų133143.5 Ų143.582%0.81678%0.776SS**  trans-143.6118.3131.6-58.90000107.3N334T332-N334 PolarHBondContact O-N 3.48Å
333F25.2Very low28.1Very low164 Ų164139.3 Ų139.372%0.71977%0.771SS**  trans-47.4127.4172.3-81.4-103.1000110.6
334N31.3Very low28.3Very low141 Ų141141 Ų14175%0.75477%0.771SS**  trans-151.797.8149.5-84.4-33000106.8T332 D336T332-N334 PolarHBondContact O-N 3.48Å; N334-D336 PolarHBondContact O-N 2.54Å
335D28.8Very low28.7Very low147 Ų147140.4 Ų140.479%0.78677%0.766SS**  trans-67.379.1164.3-70-51.8000108.6
336D30.8Very low29Very low126 Ų126141.2 Ų141.267%0.67477%0.771SS**  trans-141.266.5172-83.5-38.1000109.8N334N334-D336 PolarHBondContact O-N 2.54Å
337I31.6Very low29.4Very low172 Ų172141.5 Ų141.588%0.88277%0.773SS**  trans-122.875.9151.4-56.2-178.7000106.4C339I337-C339 PolarHBondContact O-N 2.87Å
338L33.7Very low29.3Very low125 Ų125136.9 Ų136.965%0.65477%0.772SS**PPolyproline II helixtrans-56.3123164.6-127.781.5000108.7E341L338-E341 HydrophobicContact CD2-CB 4.43Å
339C29.4Very low29.6Very low110 Ų110134.2 Ų134.274%0.74377%0.772SS**PPolyproline II helixtrans-52.9148.9154.8-73.40000109.6I337 E341I337-C339 PolarHBondContact O-N 2.87Å; C339-E341 PolarHBondContact O-N 3.04Å; C339-E341 VanDerWaalsContact O-N 3.14Å
340P28.3Very low29.6Very low122 Ų122133.1 Ų133.179%0.79277%0.766SS**PPolyproline II helixtrans-65.7118.6-165.726.6-32.9000111.1V342P340-V342 PolarHBondContact O-N 3.2Å
341E32.1Very low29.6Very low147 Ų147131.4 Ų131.469%0.68776%0.759SS**PPolyproline II helixtrans-69.2124.1177.3-167.3170.9-176.900110.1L338 C339L338-E341 HydrophobicContact CD2-CB 4.43Å; C339-E341 PolarHBondContact O-N 3.04Å; C339-E341 VanDerWaalsContact O-N 3.14Å
342V30.4Very low30Very low124 Ų124131.6 Ų131.675%0.75277%0.765SS**PPolyproline II helixtrans-84.7118.6179.2-175.10000107.8P340P340-V342 PolarHBondContact O-N 3.2Å
343G28.2Very low29.8Very low71 Ų71132.1 Ų132.173%0.73276%0.758SS**  trans88.876.6159.500000116.3
344I30.5Very low29.7Very low145 Ų145131.8 Ų131.874%0.74476%0.763SS**  trans-100.7113.5154.7-38.8170.6000107.3
345S31.5Very low29.5Very low102 Ų102130.1 Ų130.171%0.71376%0.763SS**  trans-63.5125.1176.5-179.80000110.6T347S345-T347 PolarHBondContact O-N 3.09Å
346P36.1Very low29.5Very low122 Ų122131.3 Ų131.379%0.79277%0.769SS**SBendtrans-83.276.6-175.130.9-32.9000111.8
347T30.8Very low29.1Very low130 Ų130128.4 Ų128.480%0.79877%0.769SS**  trans-157.469.7161.5-48.60000111.9S345S345-T347 PolarHBondContact O-N 3.09Å
348A29.7Very low28.9Very low99 Ų99129.5 Ų129.582%0.81877%0.767SS**  trans-178.967.4152.600000110.5
349V28.4Very low28.4Very low146 Ų146128.8 Ų128.889%0.88576%0.764SS**  trans-112.480.6164-178.50000107.3
350I27.9Very low28.4Very low141 Ų141131.6 Ų131.672%0.72376%0.764SS**  trans-140.2107.9162.4-62.8-173000108.5
351Q26.2Very low28.2Very low148 Ų148133.8 Ų133.869%0.69276%0.763SS**  trans71.498.4146.5-62.5167.520.900120
352T30.8Very low27.9Very low149 Ų149133.4 Ų133.491%0.91477%0.77SS**  -146.281128.60.10000105.3
353E23.5Very low27.7Very low144 Ų144131 Ų13167%0.67377%0.771SS**  47.411590.9-74.5-159.1171.300116.5
354L24.6Very low27.6Very low157 Ų157137.6 Ų137.682%0.82278%0.782SS**  trans7699.6141.3-72.2154.7000119.5
355S26.2Very low27.2Very low106 Ų106133.8 Ų133.874%0.74178%0.779SS**  17598113.9167.90000110.7
356N27.9Very low27Very low172 Ų172135.9 Ų135.992%0.9279%0.787SS**  trans-153.286.7146.8-100.4-12.5000108.4
357G24.2Very low26.5Very low65 Ų65134.7 Ų134.767%0.6778%0.782SS**  trans-96.8155.4163.600000110.4
358K26.5Very low26.4Very low194 Ų194134 Ų13484%0.84378%0.779SS**  trans93.6128.4-177.8-58-165.6177.4-175.60113.7
359D24.3Very low26.1Very low111 Ų111135.3 Ų135.359%0.59478%0.777SS**  cis-169137.8-1.3-108.2-38.2000106.2
360K27.4Very low25.8Very low168 Ų168135.1 Ų135.173%0.7377%0.771SS**  trans76.1118.2138.1-64174.9-173.7179.40122
361H25.9Very low25.8Very low168 Ų168133.2 Ų133.278%0.77878%0.776SS**  trans79.598.6132.2-84.5-80.5000121.5
362V25Very low25.6Very low139 Ų139133.2 Ų133.284%0.84278%0.781SS**  32.8119.7115-174.30000118
363G25.8Very low25.2Very low75 Ų75131 Ų13177%0.77377%0.772SS**  trans170.699.5158.100000114.5
364H26.1Very low25.4Very low208 Ų208133 Ų13396%0.96378%0.778SS**  trans-60.1147.5168.8-85.5-71.4000113.6
365G23Very low25.5Very low65 Ų65133.8 Ų133.867%0.6778%0.782SS**  trans131.5105140.500000118.9
366V26.4Very low25.3Very low146 Ų146134 Ų13489%0.88578%0.784SS**  trans62.6125.5136.1-161.70000121.6
367S26.5Very low25.2Very low98 Ų98131.4 Ų131.469%0.68578%0.779SS**  trans-40.6145.4162.5-173.10000115.9
368P27.7Very low25.3Very low115 Ų115133.7 Ų133.775%0.74779%0.785SS**  -148.3145.397.324.7-1.4000114.5
369V23.1Very low25.2Very low127 Ų127131.3 Ų131.377%0.7778%0.78SS**  60.9111.189.2-177.50000116.3
370N23.3Very low25.4Very low142 Ų142134.3 Ų134.376%0.75980%0.795SS**  trans58120.1147.3-119.8-8.6000121.4
371A28.2Very low25.2Very low101 Ų101134.6 Ų134.684%0.83580%0.799SS**  trans-148.990.6152.300000110.6
372N20.9Very low25.3Very low147 Ų147135.7 Ų135.779%0.78681%0.805SS**  trans-78128.7150-82.9-43000107.9
373S23.9Very low25.3Very low103 Ų103136.3 Ų136.372%0.7280%0.803SS**  trans176.3146.7138.953.20000113
374K27.4Very low25.1Very low185 Ų185140.7 Ų140.780%0.80481%0.806SS**  trans84.8114.7168.3-50.4-174.6-178-177.60113.5
375L25.6Very low25.1Very low174 Ų174140.9 Ų140.991%0.91180%0.804SS**  cis-146.514544.9-77.3158.3000113
376S22.6Very low25.1Very low111 Ų111144.3 Ų144.378%0.77681%0.805SS**  trans-86.1164.4173.9-62.20000112.9
377S24.9Very low24.9Very low117 Ų117142 Ų14282%0.81880%0.795SS**  trans78.9107.4154.360.40000120.6
378S26.7Very low24.7Very low114 Ų114142.3 Ų142.380%0.79779%0.793SS**  164.888102.3-1670000109.4
379I24.2Very low24.6Very low143 Ų143146.5 Ų146.573%0.73380%0.796SS**  35.2103.5101.7-54.1174.8000114
380L27.9Very low24.4Very low175 Ų175148.3 Ų148.392%0.91680%0.796SS**  -145.4110125-87.2-178.5000108.5
381Q23.9Very low24.4Very low174 Ų174151 Ų15181%0.81380%0.801SS**  trans-93.5128.2165.4-96.3162-40.800107.3
382E27.3Very low24.2Very low191 Ų191152 Ų15289%0.89380%0.797SS**  trans-134.393.3158.7-115.1178.8179.300110.2
383N25.2Very low24.5Very low151 Ų151150.8 Ų150.881%0.80780%0.797SS**  trans40.9114.2141.8-66.9-10.2000121K385N383-K385 PolarHBondContact O-N 3.26Å
384M21.7Very low24.3Very low168 Ų168154 Ų15483%0.82881%0.806SS**  trans-46.9129.5145.7-67-159.1-177.900112.5I386M384-I386 HydrophobicContact SD-CD1 4.15Å; M384-I386 HydrophobicContact SD-CG1 4.33Å
385K27.1Very low24Very low212 Ų212156.2 Ų156.292%0.92281%0.809SS**  trans-115.5104.5144.3-95.7-176.2177.9-178.40108.5N383N383-K385 PolarHBondContact O-N 3.26Å
386I22Very low24Very low136 Ų136154.5 Ų154.570%0.69781%0.807SS**  trans-71.9122.1163.6-63.5160.8000106.4M384M384-I386 HydrophobicContact SD-CD1 4.15Å; M384-I386 HydrophobicContact SD-CG1 4.33Å
387S23.4Very low23.9Very low97 Ų97154.2 Ų154.268%0.67880%0.804SS**  trans-131.698.4161.6-168.10000109.1Y389S387-Y389 PolarHBondContact O-N 2.95Å
388T21.6Very low23.8Very low105 Ų105157 Ų15764%0.64481%0.808SS**  trans-49.8121.5162.2-56.10000110.7
389Y24.6Very low23.5Very low204 Ų204157 Ų15780%0.880%0.803SS**  trans-136.7100.4151.7-90.6-80.7000108.4S387S387-Y389 PolarHBondContact O-N 2.95Å
390Q20.6Very low23.5Very low165 Ų165158.8 Ų158.877%0.77181%0.809SS**  trans-69.1136.5148.2-70.7168.7-61.800107
391F22.1Very low23.3Very low197 Ų197158 Ų15886%0.86480%0.8SS**  trans-163.7137.6135.1-98.5-68.1000110.7
392T23.9Very low23.2Very low123 Ų123156.8 Ų156.876%0.75580%0.8SS**  trans-66.9164.5175.941.50000112.7
393P26.8Very low23.2Very low122 Ų122151.9 Ų151.979%0.79279%0.791SS**  trans-89.2130.4-161.834.1-28.8000111.3
394D21.5Very low23Very low171 Ų171149.9 Ų149.991%0.91479%0.789SS**  trans-131.4136.3161.2-104.2-33.2000112.3
395R20.9Very low23.1Very low230 Ų230148.2 Ų148.287%0.86879%0.788SS**  trans-72.9123.8-177.2175.1-164.9-138.7-159.34.5110.4
396T25.5Very low23.1Very low139 Ų139147.1 Ų147.185%0.85379%0.786SS**  177.4143.6127.122.40000112.4
397C19.7Very low23.1Very low105 Ų105149.8 Ų149.871%0.70979%0.793SS**  trans-64135.1-179.5-172.80000112.6
398L23.2Very low23.2Very low176 Ų176150.5 Ų150.592%0.92180%0.798SS**  trans-137.3113.1149.1-79.5178.6000109.6
399T20.1Very low23.3Very low112 Ų112151 Ų15169%0.68780%0.801SS**  trans-71.9126.5161.4-59.30000108.8
400E25.6Very low23.4Very low181 Ų181148.9 Ų148.985%0.84680%0.804SS**  trans-171.799.5151.3-105165-154.100106.8
401Q21.9Very low23.5Very low159 Ų159144.5 Ų144.574%0.74380%0.803SS**  46.9108.7105.8-65.5-1699.600113.6
402N22.6Very low23.8Very low149 Ų149142.3 Ų142.380%0.79780%0.799SS**  165.4159.3107.6-83.4-48.4000113
403A27.9Very low23.8Very low87 Ų87145.3 Ų145.372%0.71980%0.804SS**  trans7984.7168.900000115.1
404S21.4Very low24Very low109 Ų109148.2 Ų148.276%0.76281%0.807SS**  59.6106.180-62.20000113.6
405V23.4Very low24.1Very low133 Ų133147 Ų14781%0.80680%0.8SS**  73.696.8117-179.30000112.9
406E26.4Very low24.6Very low190 Ų190144.5 Ų144.589%0.88880%0.798SS**  trans-141.9108.4132.7-111.7177.4-169.100108.3
407K22.4Very low24.8Very low191 Ų191142.4 Ų142.483%0.8379%0.789SS**  trans-10588.9175.3-168.2-177.1-171.3-176.40105
408S26.3Very low25.2Very low112 Ų112145.4 Ų145.478%0.78380%0.798SS**  trans-100106.3165.949.70000108.3
409T22.8Very low25.8Very low117 Ų117142.4 Ų142.472%0.71879%0.787SS**  trans-75.1112.5163.5-54.60000106.6
410D25.8Very low26.4Very low159 Ų159146.4 Ų146.485%0.8580%0.795SS**  trans-158.6119.3146.3-104.2-25.6000110
411G22.6Very low26.6Very low73 Ų73145.1 Ų145.175%0.75379%0.793SS**  trans-76.6125.9174.200000109.7
412I30.2Very low27.1Very low151 Ų151146.4 Ų146.477%0.77480%0.796SS**  trans-127.7112.8150.4-62.8-175.7000106.1E414I412-E414 PolarHBondContact O-N 3.13Å
413Q23.7Very low28Very low186 Ų186144.8 Ų144.887%0.86979%0.794SS**  trans-57.9110.2163.5-82.1172-46.500108.6
414E31.2Very low28.2Very low183 Ų183147.1 Ų147.186%0.85579%0.794SS**  trans-106.990.3153.7-79.2-168.7163.200108.2I412 Q416I412-E414 PolarHBondContact O-N 3.13Å; E414-Q416 PolarHBondContact O-N 2.95Å
415D22.8Very low29.5Very low144 Ų144152.3 Ų152.377%0.7780%0.803SS**  trans-66.2110.7156.4-116.5-25.9000107.8
416Q30.6Very low30.6Very low178 Ų178150.4 Ų150.483%0.83280%0.796SS**  trans-166.294.5144-107165.786.100111.2E414 N418E414-Q416 PolarHBondContact O-N 2.95Å; Q416-N418 PolarHBondContact O-N 3.12Å
417S31.2Very low31.6Very low95 Ų95148.2 Ų148.266%0.66479%0.79SS**  trans40.376.2136.563.90000116.6V419S417-V419 VanDerWaalsContact C-N 3.27Å; S417-V419 PolarHBondContact O-N 3.37Å
418N28.2Very low33.4Very low168 Ų168144.9 Ų144.990%0.89878%0.779SS**  trans-69.895.1153.2-131.5-21.6000106.5Q416 K420Q416-N418 PolarHBondContact O-N 3.12Å; N418-K420 PolarHBondContact O-N 3.01Å
419V35.1Very low35.8Very low114 Ų114144.2 Ų144.269%0.69177%0.767SS**  trans-60.292.8174.3175.60000106.9S417 L421S417-V419 VanDerWaalsContact C-N 3.27Å; S417-V419 PolarHBondContact O-N 3.37Å; V419-L421 VanDerWaalsContact C-N 3.27Å; V419-L421 PolarHBondContact O-N 3.25Å
420K31.5Very low38.7Very low195 Ų195143.9 Ų143.985%0.84876%0.76SS**  trans-58.795.2168.2-170.7172.4-174.5176.80106.1N418 K422N418-K420 PolarHBondContact O-N 3.01Å; K420-K422 PolarHBondContact O-N 2.87Å
421L29.9Very low41.5Very low155 Ų155139.3 Ų139.381%0.81274%0.74SS**  trans-46.6106.1173.3-87.8122.7000107.8V419V419-L421 VanDerWaalsContact C-N 3.27Å; V419-L421 PolarHBondContact O-N 3.25Å
422K34.2Very low44.4Very low185 Ų185140.9 Ų140.980%0.80473%0.728SS**  trans-64.3124.4166.2-76-178.3176.7175.30105.5K420 N424K420-K422 PolarHBondContact O-N 2.87Å; K422-N424 PolarHBondContact O-N 3.11Å
423P39.7Very low47.1Very low115 Ų115136.4 Ų136.475%0.74771%0.709SS**  trans-61.9132.2-178.825.9-31.5000108.2K425P423-K425 PolarHBondContact O-N 3.13Å
424N33.1Very low50.3Low136 Ų136132 Ų13273%0.72769%0.691SS**  trans-51.2113.5178.4-71.2-34.3000109.6K422 S426K422-N424 PolarHBondContact O-N 3.11Å; N424-S426 PolarHBondContact O-N 3.44Å
425K48.2Very low52.9Low219 Ų219127 Ų12795%0.95268%0.676SS**THydrogen-bonded Turntrans-69.227.8175.8-65.4-178.4175.1-177.20113.2P423P423-K425 PolarHBondContact O-N 3.13Å
426S47Very low56.1Low93 Ų93125 Ų12565%0.6566%0.662SS**THydrogen-bonded Turntrans-118.9-6.2-173.5610000114.7N424 I428N424-S426 PolarHBondContact O-N 3.44Å; S426-I428 PolarHBondContact O-N 2.97Å; S426-I428 VanDerWaalsContact O-N 3.08Å
427L46.6Very low59Low144 Ų144122 Ų12275%0.75465%0.651SS**  trans-84.477.5164.9-86.8159.3000108.3N429 I430L427-N429 PolarHBondContact O-N 3.07Å; L427-N429 VanDerWaalsContact O-N 3.16Å; L427-I430 HydrophobicContact CD2-CD1 4.48Å
428I61.6Low61.9Low120 Ų120121.4 Ų121.462%0.61564%0.643SS**  trans-46.9123.5157.5-64.5159.5000105.8S426 I430 C433S426-I428 PolarHBondContact O-N 2.97Å; S426-I428 VanDerWaalsContact O-N 3.08Å; I428-I430 PolarHBondContact O-N 2.81Å; I428-C433 WeakPolarHBondContact CG2-SG 3.33Å
429N75.6Confident65Low98 Ų98119.2 Ų119.252%0.52463%0.627SS.*  trans-59.2107.4-172.1-159.1-6.4000108L427 S431 E432 C433L427-N429 PolarHBondContact O-N 3.07Å; L427-N429 VanDerWaalsContact O-N 3.16Å; N429-S431 PolarHBondContact ND2-OG 3.25Å; N429-S431 PolarHBondContact O-N 3.48Å; N429-S431 PolarHBondContact OD1-OG 3.08Å; N429-E432 HydrophobicContact CB-CB 4.23Å; N429-E432 WeakPolarHBondContact O-CB 3.37Å; N429-E432 PolarHBondContact O-N 2.96Å; N429-C433 PolarHBondContact O-N 3.36Å
430I83.5Confident67.6Low110 Ų110117.7 Ų117.756%0.56461%0.613SS**Hα-helixtrans-56.6-30-172.5-63.3169.6000109.9L427 I428 C433 I434L427-I430 HydrophobicContact CD2-CD1 4.48Å; I428-I430 PolarHBondContact O-N 2.81Å; I430-C433 PolarHBondContact O-N 2.82Å; I430-I434 HydrophobicContact CG2-CD1 3.78Å; I430-I434 HydrophobicContact CG2-CG1 4.33Å; I430-I434 WeakPolarHBondContact O-CB 3.33Å; I430-I434 WeakPolarHBondContact O-CD1 3.48Å; I430-I434 WeakPolarHBondContact O-CG1 3.49Å; I430-I434 PolarHBondContact O-N 3.31Å
431S84.4Confident70.6Confident63 Ų63116.3 Ų116.344%0.44160%0.602SS.*Hα-helixtrans-61.7-43.1174.361.20000113.3N429 I434 S435N429-S431 PolarHBondContact ND2-OG 3.25Å; N429-S431 PolarHBondContact O-N 3.48Å; N429-S431 PolarHBondContact OD1-OG 3.08Å; S431-I434 PolarHBondContact O-N 2.93Å; S431-S435 PolarHBondContact O-N 3.18Å; S431-S435 PolarHBondContact O-OG 2.88Å; S431-S435 VanDerWaalsContact O-OG 3.09Å
432E85.3Confident73.5Confident107 Ų107112.1 Ų112.150%0.559%0.586SS.*Hα-helixtrans-68.6-41.3179.1-172174.3-172.500111.1N429 I434 S435 H436N429-E432 HydrophobicContact CB-CB 4.23Å; N429-E432 WeakPolarHBondContact O-CB 3.37Å; N429-E432 PolarHBondContact O-N 2.96Å; E432-I434 VanDerWaalsContact C-N 3.34Å; E432-I434 PolarHBondContact O-N 2.9Å; E432-S435 PolarHBondContact O-N 3.25Å; E432-H436 PolarHBondContact O-CD2 2.7Å; E432-H436 PolarHBondContact O-N 3.35Å
433C84.9Confident76.4Confident56 Ų56108.7 Ų108.738%0.37857%0.568SS.*Hα-helixtrans-60.5-41.7171.1-75.20000112.5I428 N429 I430 H436 L437I428-C433 WeakPolarHBondContact CG2-SG 3.33Å; N429-C433 PolarHBondContact O-N 3.36Å; I430-C433 PolarHBondContact O-N 2.82Å; C433-H436 PolarHBondContact O-N 2.88Å; C433-L437 VanDerWaalsContact O-CG 3.29Å; C433-L437 WeakPolarHBondContact O-CG 3.31Å; C433-L437 PolarHBondContact O-N 3.22Å
434I90.9Very high78.8Confident95 Ų95107 Ų10749%0.48756%0.555SS.*Hα-helixtrans-64.1-43.3176.2-70.8165.9000110.4I430 S431 E432 L437 V438I430-I434 HydrophobicContact CG2-CD1 3.78Å; I430-I434 HydrophobicContact CG2-CG1 4.33Å; I430-I434 WeakPolarHBondContact O-CB 3.33Å; I430-I434 WeakPolarHBondContact O-CD1 3.48Å; I430-I434 WeakPolarHBondContact O-CG1 3.49Å; I430-I434 PolarHBondContact O-N 3.31Å; S431-I434 PolarHBondContact O-N 2.93Å; E432-I434 VanDerWaalsContact C-N 3.34Å; E432-I434 PolarHBondContact O-N 2.9Å; I434-L437 PolarHBondContact O-N 3.33Å; I434-V438 HydrophobicContact CG2-CG2 4.36Å; I434-V438 WeakPolarHBondContact O-CG2 3.43Å; I434-V438 PolarHBondContact O-N 2.99Å
435S86.9Confident81.7Confident76 Ų76105.3 Ų105.353%0.53154%0.543SS..Hα-helixtrans-58.7-48176.5-65.40000111.8S431 E432 L437 V438 E439S431-S435 PolarHBondContact O-N 3.18Å; S431-S435 PolarHBondContact O-OG 2.88Å; S431-S435 VanDerWaalsContact O-OG 3.09Å; E432-S435 PolarHBondContact O-N 3.25Å; S435-L437 VanDerWaalsContact C-N 3.33Å; S435-L437 PolarHBondContact O-N 3.29Å; S435-V438 PolarHBondContact O-N 3.05Å; S435-E439 PolarHBondContact O-N 2.88Å
436H90.6Very high83.8Confident103 Ų10396.5 Ų96.548%0.47751%0.514SS..Hα-helixtrans-60.3-40.4175.1-84.5-66.2000112.6E432 C433 V438 E439 E440E432-H436 PolarHBondContact O-CD2 2.7Å; E432-H436 PolarHBondContact O-N 3.35Å; C433-H436 PolarHBondContact O-N 2.88Å; H436-V438 PolarHBondContact O-N 3.48Å; H436-E439 PolarHBondContact O-N 3.35Å; H436-E440 VanDerWaalsContact O-CB 3.29Å; H436-E440 WeakPolarHBondContact O-CB 3.49Å; H436-E440 VanDerWaalsContact O-CG 3.28Å; H436-E440 WeakPolarHBondContact O-CG 3.35Å; H436-E440 PolarHBondContact O-N 3.48Å
437L91.7Very high86Confident115 Ų11597.9 Ų97.960%0.60251%0.508SS*.Hα-helixtrans-66.4-36.1176.7-72.8172.7000112.7C433 I434 S435 R441C433-L437 VanDerWaalsContact O-CG 3.29Å; C433-L437 WeakPolarHBondContact O-CG 3.31Å; C433-L437 PolarHBondContact O-N 3.22Å; I434-L437 PolarHBondContact O-N 3.33Å; S435-L437 VanDerWaalsContact C-N 3.33Å; S435-L437 PolarHBondContact O-N 3.29Å; L437-R441 VanDerWaalsContact O-CB 3.3Å; L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 3.38Å
438V90.8Very high88.2Confident82 Ų8295 Ų9550%0.49749%0.494SS..Hα-helixtrans-68.6-41.6175.9170.40000110.9I434 S435 H436 R441 S442I434-V438 HydrophobicContact CG2-CG2 4.36Å; I434-V438 WeakPolarHBondContact O-CG2 3.43Å; I434-V438 PolarHBondContact O-N 2.99Å; S435-V438 PolarHBondContact O-N 3.05Å; H436-V438 PolarHBondContact O-N 3.48Å; V438-R441 PolarHBondContact O-N 3.01Å; V438-S442 WeakPolarHBondContact O-CB 3.44Å; V438-S442 PolarHBondContact O-N 3.39Å; V438-S442 PolarHBondContact O-OG 3.35Å
439E92.6Very high89.9Confident123 Ų12396 Ų9658%0.57549%0.494SS*.Hα-helixtrans-63-47.1174.5-174.5176-167.600111.2S435 H436 R441 S442 R443S435-E439 PolarHBondContact O-N 2.88Å; H436-E439 PolarHBondContact O-N 3.35Å; E439-R441 VanDerWaalsContact C-N 3.35Å; E439-R441 PolarHBondContact O-N 2.8Å; E439-S442 WeakPolarHBondContact O-CA 3.42Å; E439-S442 WeakPolarHBondContact O-CB 3.4Å; E439-S442 PolarHBondContact O-N 2.93Å; E439-S442 VanDerWaalsContact O-N 3.07Å; E439-R443 WeakPolarHBondContact O-CB 3.36Å; E439-R443 PolarHBondContact O-N 3.41Å
440E90.6Very high90.8Very high81 Ų81100.3 Ų100.338%0.37950%0.503SS..Hα-helixtrans-61.4-41.9177.1-79.6-64.310700112.3H436 S442 R443 V444H436-E440 VanDerWaalsContact O-CB 3.29Å; H436-E440 WeakPolarHBondContact O-CB 3.49Å; H436-E440 VanDerWaalsContact O-CG 3.28Å; H436-E440 WeakPolarHBondContact O-CG 3.35Å; H436-E440 PolarHBondContact O-N 3.48Å; E440-S442 VanDerWaalsContact C-N 3.32Å; E440-S442 PolarHBondContact O-N 3.06Å; E440-R443 PolarHBondContact O-N 2.93Å; E440-R443 IonicContact OE1-CZ 2.7Å; E440-R443 IonicContact OE1-NE 2.97Å; E440-R443 PolarHBondContact OE1-NE 2.94Å; E440-R443 IonicContact OE1-NH2 3.85Å; E440-R443 IonicContact OE2-CZ 3.46Å; E440-R443 IonicContact OE2-NE 2.76Å; E440-R443 PolarHBondContact OE2-NE 3.16Å; E440-R443 IonicContact OE2-NH2 3.54Å; E440-R443 PolarHBondContact OE2-NH2 3.48Å; E440-V444 WeakPolarHBondContact O-CB 3.26Å; E440-V444 VanDerWaalsContact O-CG2 3.31Å; E440-V444 WeakPolarHBondContact O-CG2 3.3Å; E440-V444 PolarHBondContact O-N 2.83Å
441R94.5Very high91.3Very high166 Ų166100.4 Ų100.463%0.62650%0.503SS*.Hα-helixtrans-59-45.1172.5-178-177.8178.8-134.51.5111.1L437 V438 E439 V444 Q445L437-R441 VanDerWaalsContact O-CB 3.3Å; L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 3.38Å; V438-R441 PolarHBondContact O-N 3.01Å; E439-R441 VanDerWaalsContact C-N 3.35Å; E439-R441 PolarHBondContact O-N 2.8Å; R441-V444 PolarHBondContact O-N 3.5Å; R441-Q445 WeakPolarHBondContact O-CB 3.42Å; R441-Q445 VanDerWaalsContact O-CG 3.29Å; R441-Q445 WeakPolarHBondContact O-CG 3.34Å; R441-Q445 PolarHBondContact O-N 3.27Å
442S91.4Very high91.8Very high67 Ų67103.3 Ų103.347%0.46951%0.508SS..Hα-helixtrans-63.9-42.7179.6-57.40000111.3V438 E439 E440 Q445 G446V438-S442 WeakPolarHBondContact O-CB 3.44Å; V438-S442 PolarHBondContact O-N 3.39Å; V438-S442 PolarHBondContact O-OG 3.35Å; E439-S442 WeakPolarHBondContact O-CA 3.42Å; E439-S442 WeakPolarHBondContact O-CB 3.4Å; E439-S442 PolarHBondContact O-N 2.93Å; E439-S442 VanDerWaalsContact O-N 3.07Å; E440-S442 VanDerWaalsContact C-N 3.32Å; E440-S442 PolarHBondContact O-N 3.06Å; S442-Q445 PolarHBondContact O-N 2.76Å; S442-G446 PolarHBondContact O-N 2.84Å
443R93.8Very high92.3Very high114 Ų114102.9 Ų102.943%0.4351%0.509SS..Hα-helixtrans-61.2-46.5175.9-172-177.86992.210.2112.2E439 E440 G446 K447E439-R443 WeakPolarHBondContact O-CB 3.36Å; E439-R443 PolarHBondContact O-N 3.41Å; E440-R443 PolarHBondContact O-N 2.93Å; E440-R443 IonicContact OE1-CZ 2.7Å; E440-R443 IonicContact OE1-NE 2.97Å; E440-R443 PolarHBondContact OE1-NE 2.94Å; E440-R443 IonicContact OE1-NH2 3.85Å; E440-R443 IonicContact OE2-CZ 3.46Å; E440-R443 IonicContact OE2-NE 2.76Å; E440-R443 PolarHBondContact OE2-NE 3.16Å; E440-R443 IonicContact OE2-NH2 3.54Å; E440-R443 PolarHBondContact OE2-NH2 3.48Å; R443-G446 PolarHBondContact O-N 3.21Å; R443-K447 PolarHBondContact O-N 3.44Å
444V92Very high92.7Very high78 Ų78105.9 Ų105.947%0.47352%0.52SS..Hα-helixtrans-65.9-41.7177.71720000111E440 R441 G446 K447 L448E440-V444 WeakPolarHBondContact O-CB 3.26Å; E440-V444 VanDerWaalsContact O-CG2 3.31Å; E440-V444 WeakPolarHBondContact O-CG2 3.3Å; E440-V444 PolarHBondContact O-N 2.83Å; R441-V444 PolarHBondContact O-N 3.5Å; V444-G446 PolarHBondContact O-N 2.93Å; V444-K447 PolarHBondContact O-N 3.47Å; V444-L448 WeakPolarHBondContact O-CB 3.37Å; V444-L448 PolarHBondContact O-N 3.24Å
445Q93.9Very high92.9Very high101 Ų101108.2 Ų108.247%0.47252%0.524SS..Hα-helixtrans-62.7-40.4175.6-76.5-175.4-29.100112.3R441 S442 L448 F449R441-Q445 WeakPolarHBondContact O-CB 3.42Å; R441-Q445 VanDerWaalsContact O-CG 3.29Å; R441-Q445 WeakPolarHBondContact O-CG 3.34Å; R441-Q445 PolarHBondContact O-N 3.27Å; S442-Q445 PolarHBondContact O-N 2.76Å; Q445-L448 PolarHBondContact O-N 3.43Å; Q445-F449 WeakPolarHBondContact O-CB 3.46Å; Q445-F449 PolarHBondContact O-N 2.99Å
446G91.8Very high93.3Very high34 Ų34112 Ų11235%0.35153%0.531SS..Hα-helixtrans-61.2-44.7173.700000112.7S442 R443 V444 F449 R450S442-G446 PolarHBondContact O-N 2.84Å; R443-G446 PolarHBondContact O-N 3.21Å; V444-G446 PolarHBondContact O-N 2.93Å; G446-F449 PolarHBondContact O-N 2.98Å; G446-R450 WeakPolarHBondContact O-CG 3.43Å; G446-R450 PolarHBondContact O-N 2.93Å
447K92.6Very high93.4Very high122 Ų122109.9 Ų109.953%0.5353%0.525SS..Hα-helixtrans-62-43.7174.5-73.5-179.2175.3-178.20112R443 V444 F449 R450 L451R443-K447 PolarHBondContact O-N 3.44Å; V444-K447 PolarHBondContact O-N 3.47Å; K447-F449 VanDerWaalsContact C-N 3.34Å; K447-F449 PolarHBondContact O-N 2.92Å; K447-R450 PolarHBondContact O-N 2.91Å; K447-L451 PolarHBondContact O-N 2.96Å
448L93.7Very high93.6Very high85 Ų85111.4 Ų111.445%0.44552%0.524SS..Hα-helixtrans-64-39.3177.7-176.762.5000111.9V444 Q445 L451 K452V444-L448 WeakPolarHBondContact O-CB 3.37Å; V444-L448 PolarHBondContact O-N 3.24Å; Q445-L448 PolarHBondContact O-N 3.43Å; L448-L451 PolarHBondContact O-N 3.04Å; L448-K452 HydrophobicContact CG-CD 4.49Å; L448-K452 WeakPolarHBondContact O-CB 3.22Å; L448-K452 WeakPolarHBondContact O-CG 3.47Å; L448-K452 PolarHBondContact O-N 3.23Å
449F95.7Very high93.9Very high140 Ų140111.9 Ų111.961%0.61452%0.52SS*.Hα-helixtrans-62.2-47.4175.2178.8-96.7000111.7Q445 G446 K447 L451 K452 L453Q445-F449 WeakPolarHBondContact O-CB 3.46Å; Q445-F449 PolarHBondContact O-N 2.99Å; G446-F449 PolarHBondContact O-N 2.98Å; K447-F449 VanDerWaalsContact C-N 3.34Å; K447-F449 PolarHBondContact O-N 2.92Å; F449-L451 VanDerWaalsContact C-N 3.32Å; F449-L451 PolarHBondContact O-N 2.91Å; F449-K452 PolarHBondContact O-N 2.98Å; F449-L453 PolarHBondContact O-N 3.49Å
450R95.5Very high93.9Very high189 Ų189114.7 Ų114.771%0.71353%0.525SS*.Hα-helixtrans-58.5-44175.6-70.2177.5-176.9-179.31.7111.7G446 K447 L453 L454G446-R450 WeakPolarHBondContact O-CG 3.43Å; G446-R450 PolarHBondContact O-N 2.93Å; K447-R450 PolarHBondContact O-N 2.91Å; R450-L453 PolarHBondContact O-N 3.43Å; R450-L454 PolarHBondContact O-N 3.33Å
451L94.6Very high94.2Very high111 Ų111119 Ų11958%0.58154%0.538SS*.Hα-helixtrans-63.6-42.2177.6-173.462.8000112.1K447 L448 F449 L453 L454 Y455K447-L451 PolarHBondContact O-N 2.96Å; L448-L451 PolarHBondContact O-N 3.04Å; F449-L451 VanDerWaalsContact C-N 3.32Å; F449-L451 PolarHBondContact O-N 2.91Å; L451-L453 VanDerWaalsContact C-N 3.35Å; L451-L453 PolarHBondContact O-N 3.36Å; L451-L454 PolarHBondContact O-N 2.97Å; L451-Y455 WeakPolarHBondContact O-CB 3.45Å; L451-Y455 PolarHBondContact O-N 3.4Å
452K94Very high94.2Very high124 Ų124114.6 Ų114.654%0.53953%0.526SS..Hα-helixtrans-61.8-41.2174.8-76.9178.1177.7-177.20112.1L448 F449 Y455 K456L448-K452 HydrophobicContact CG-CD 4.49Å; L448-K452 WeakPolarHBondContact O-CB 3.22Å; L448-K452 WeakPolarHBondContact O-CG 3.47Å; L448-K452 PolarHBondContact O-N 3.23Å; F449-K452 PolarHBondContact O-N 2.98Å; K452-Y455 PolarHBondContact O-N 3.47Å; K452-K456 WeakPolarHBondContact O-CG 3.43Å; K452-K456 PolarHBondContact O-N 3.12Å
453L94.9Very high94.3Very high98 Ų98115.5 Ų115.551%0.51353%0.526SS..Hα-helixtrans-63.8-42.9176.2-178.263.9000111.5F449 R450 L451 K456 T457F449-L453 PolarHBondContact O-N 3.49Å; R450-L453 PolarHBondContact O-N 3.43Å; L451-L453 VanDerWaalsContact C-N 3.35Å; L451-L453 PolarHBondContact O-N 3.36Å; L453-K456 PolarHBondContact O-N 3.49Å; L453-T457 PolarHBondContact O-N 3.12Å; L453-T457 PolarHBondContact O-OG1 2.85Å
454L93.7Very high94.3Very high119 Ų119114.6 Ų114.662%0.62353%0.529SS*.Hα-helixtrans-63.2-44.5177-167.267.7000111.2R450 L451 T457 Y458R450-L454 PolarHBondContact O-N 3.33Å; L451-L454 PolarHBondContact O-N 2.97Å; L454-T457 PolarHBondContact O-N 3.47Å; L454-Y458 WeakPolarHBondContact O-CB 3.49Å; L454-Y458 PolarHBondContact O-N 2.88Å
455Y96.2Very high94.3Very high145 Ų145115.9 Ų115.957%0.56953%0.533SS*.Hα-helixtrans-61.2-44.9176.1177.2-98.8000112.5L451 K452 T457 Y458 K459L451-Y455 WeakPolarHBondContact O-CB 3.45Å; L451-Y455 PolarHBondContact O-N 3.4Å; K452-Y455 PolarHBondContact O-N 3.47Å; Y455-T457 VanDerWaalsContact C-N 3.32Å; Y455-T457 PolarHBondContact O-N 3.47Å; Y455-Y458 PolarHBondContact O-N 2.79Å; Y455-K459 HydrophobicContact CE1-CD 4.34Å; Y455-K459 WeakPolarHBondContact O-CB 3.42Å; Y455-K459 PolarHBondContact O-N 3.2Å
456K94.1Very high94.4Very high154 Ų154115 Ų11567%0.6753%0.532SS*.Hα-helixtrans-60-42.5175.3-77.8-175.3176.1-173.10111.8K452 L453 R460K452-K456 WeakPolarHBondContact O-CG 3.43Å; K452-K456 PolarHBondContact O-N 3.12Å; L453-K456 PolarHBondContact O-N 3.49Å; K456-R460 PolarHBondContact O-N 2.77Å
457T92.9Very high94.4Very high59 Ų59116.2 Ų116.236%0.36254%0.539SS..Hα-helixtrans-64.5-45.4177-56.70000111.5L453 L454 Y455 R460 R461L453-T457 PolarHBondContact O-N 3.12Å; L453-T457 PolarHBondContact O-OG1 2.85Å; L454-T457 PolarHBondContact O-N 3.47Å; Y455-T457 VanDerWaalsContact C-N 3.32Å; Y455-T457 PolarHBondContact O-N 3.47Å; T457-R460 PolarHBondContact O-N 3.34Å; T457-R461 WeakPolarHBondContact O-CG 3.44Å; T457-R461 PolarHBondContact O-N 2.69Å
458Y96.2Very high94.4Very high147 Ų147113.5 Ų113.558%0.57654%0.535SS*.Hα-helixtrans-60.8-46.8176.7178-95000111.7L454 Y455 R460 R461 L462L454-Y458 WeakPolarHBondContact O-CB 3.49Å; L454-Y458 PolarHBondContact O-N 2.88Å; Y455-Y458 PolarHBondContact O-N 2.79Å; Y458-R460 PolarHBondContact O-N 3.22Å; Y458-R461 WeakPolarHBondContact O-CB 3.5Å; Y458-R461 PolarHBondContact O-N 3.48Å; Y458-R461 VanDerWaalsContact O-N 3.15Å; Y458-L462 PolarHBondContact O-N 3.36Å
459K96.2Very high94.3Very high93 Ų93114.9 Ų114.940%0.40454%0.542SS..Hα-helixtrans-59.1-45177.8-174.1169.6-178.8177.60111.9Y455 R461 L462 D463Y455-K459 HydrophobicContact CE1-CD 4.34Å; Y455-K459 WeakPolarHBondContact O-CB 3.42Å; Y455-K459 PolarHBondContact O-N 3.2Å; K459-R461 VanDerWaalsContact C-N 3.33Å; K459-R461 PolarHBondContact O-N 2.85Å; K459-L462 WeakPolarHBondContact O-CB 3.48Å; K459-L462 PolarHBondContact O-N 2.81Å; K459-L462 VanDerWaalsContact O-N 3.14Å; K459-D463 VanDerWaalsContact O-CG 3.29Å; K459-D463 PolarHBondContact O-N 2.77Å
460R94.1Very high94.1Very high181 Ų181112 Ų11268%0.68354%0.539SS*.Hα-helixtrans-62.2-39175.8-170.6177.9-170.2164.93.3112.8K456 T457 Y458 L462 D463 N464K456-R460 PolarHBondContact O-N 2.77Å; T457-R460 PolarHBondContact O-N 3.34Å; Y458-R460 PolarHBondContact O-N 3.22Å; R460-L462 VanDerWaalsContact C-N 3.32Å; R460-D463 PolarHBondContact O-N 3.47Å; R460-N464 WeakPolarHBondContact O-CB 3.41Å; R460-N464 PolarHBondContact O-N 2.84Å; R460-N464 PolarHBondContact O-OD1 3Å
461R96Very high93.9Very high172 Ų172105 Ų10565%0.64952%0.522SS*.Hα-helixtrans-64-39.6174.8-74.3179179.1169.6-0.6111.3T457 Y458 K459 N464 L465T457-R461 WeakPolarHBondContact O-CG 3.44Å; T457-R461 PolarHBondContact O-N 2.69Å; Y458-R461 WeakPolarHBondContact O-CB 3.5Å; Y458-R461 PolarHBondContact O-N 3.48Å; Y458-R461 VanDerWaalsContact O-N 3.15Å; K459-R461 VanDerWaalsContact C-N 3.33Å; K459-R461 PolarHBondContact O-N 2.85Å; R461-N464 PolarHBondContact O-N 2.66Å; R461-L465 WeakPolarHBondContact O-CG 3.25Å; R461-L465 PolarHBondContact O-N 3.28Å
462L94.5Very high93.6Very high74 Ų74104.6 Ų104.639%0.38752%0.52SS..Hα-helixtrans-63.3-47.7176-169.765.3000111.5Y458 K459 R460 N464 L465 D466Y458-L462 PolarHBondContact O-N 3.36Å; K459-L462 WeakPolarHBondContact O-CB 3.48Å; K459-L462 PolarHBondContact O-N 2.81Å; K459-L462 VanDerWaalsContact O-N 3.14Å; R460-L462 VanDerWaalsContact C-N 3.32Å; L462-N464 VanDerWaalsContact C-N 3.3Å; L462-N464 PolarHBondContact O-N 2.81Å; L462-L465 WeakPolarHBondContact O-CB 3.44Å; L462-L465 PolarHBondContact O-N 3.44Å; L462-L465 VanDerWaalsContact O-N 3.08Å; L462-D466 PolarHBondContact O-N 3.1Å
463D94.3Very high93.4Very high86 Ų86103.1 Ų103.146%0.4652%0.515SS..Hα-helixtrans-60.2-39.3177-61.1-28.7000111.9K459 R460 D466 A467K459-D463 VanDerWaalsContact O-CG 3.29Å; K459-D463 PolarHBondContact O-N 2.77Å; R460-D463 PolarHBondContact O-N 3.47Å; D463-D466 PolarHBondContact O-N 2.94Å; D463-A467 WeakPolarHBondContact O-CB 3.27Å; D463-A467 PolarHBondContact O-N 3.1Å
464N92.4Very high93Very high94 Ų94105.1 Ų105.150%0.50352%0.522SS..Hα-helixtrans-66-37.4175.3-73-9.9000112.5R460 R461 L462 S468R460-N464 WeakPolarHBondContact O-CB 3.41Å; R460-N464 PolarHBondContact O-N 2.84Å; R460-N464 PolarHBondContact O-OD1 3Å; R461-N464 PolarHBondContact O-N 2.66Å; L462-N464 VanDerWaalsContact C-N 3.3Å; L462-N464 PolarHBondContact O-N 2.81Å; N464-S468 WeakPolarHBondContact O-CB 3.41Å; N464-S468 PolarHBondContact O-N 2.88Å; N464-S468 PolarHBondContact O-OG 2.88Å
465L92.9Very high92.5Very high106 Ų106105.1 Ų105.156%0.55552%0.518SS*.Hα-helixtrans-67.5-43.7175.6-75.1171.7000110.7R461 L462 A467 S468 L469R461-L465 WeakPolarHBondContact O-CG 3.25Å; R461-L465 PolarHBondContact O-N 3.28Å; L462-L465 WeakPolarHBondContact O-CB 3.44Å; L462-L465 PolarHBondContact O-N 3.44Å; L462-L465 VanDerWaalsContact O-N 3.08Å; L465-A467 VanDerWaalsContact C-N 3.34Å; L465-A467 PolarHBondContact O-N 2.98Å; L465-S468 WeakPolarHBondContact O-CB 3.38Å; L465-S468 PolarHBondContact O-N 3.47Å; L465-S468 VanDerWaalsContact O-N 3.13Å; L465-L469 WeakPolarHBondContact O-CG 3.27Å; L465-L469 PolarHBondContact O-N 2.97Å
466D95.1Very high91.8Very high83 Ų83101.1 Ų101.144%0.44451%0.509SS..Hα-helixtrans-62.5-40.2176.5-76.2-20.3000112.1L462 D463 S468 L469 S470L462-D466 PolarHBondContact O-N 3.1Å; D463-D466 PolarHBondContact O-N 2.94Å; D466-S468 VanDerWaalsContact C-N 3.33Å; D466-L469 PolarHBondContact O-N 3.19Å; D466-S470 WeakPolarHBondContact O-CB 3.48Å; D466-S470 PolarHBondContact O-N 3.33Å; D466-S470 PolarHBondContact O-OG 3.42Å
467A92.1Very high91Very high59 Ų5998.4 Ų98.449%0.48850%0.502SS..Hα-helixtrans-63.4-39.817300000111.9D463 L465 S470 A471D463-A467 WeakPolarHBondContact O-CB 3.27Å; D463-A467 PolarHBondContact O-N 3.1Å; L465-A467 VanDerWaalsContact C-N 3.34Å; L465-A467 PolarHBondContact O-N 2.98Å; A467-S470 PolarHBondContact O-N 2.72Å; A467-A471 WeakPolarHBondContact O-CB 3.44Å; A467-A471 PolarHBondContact O-N 3.48Å
468S93.7Very high89.5Confident65 Ų6598.1 Ų98.146%0.45551%0.506SS..Hα-helixtrans-66.6-42.9177.2-58.30000111.7N464 L465 D466 S470 A471 L472N464-S468 WeakPolarHBondContact O-CB 3.41Å; N464-S468 PolarHBondContact O-N 2.88Å; N464-S468 PolarHBondContact O-OG 2.88Å; L465-S468 WeakPolarHBondContact O-CB 3.38Å; L465-S468 PolarHBondContact O-N 3.47Å; L465-S468 VanDerWaalsContact O-N 3.13Å; D466-S468 VanDerWaalsContact C-N 3.33Å; S468-S470 VanDerWaalsContact C-N 3.32Å; S468-S470 PolarHBondContact O-N 2.98Å; S468-A471 PolarHBondContact O-N 3.39Å; S468-L472 VanDerWaalsContact O-CD1 3.27Å; S468-L472 WeakPolarHBondContact O-CD1 3.46Å; S468-L472 PolarHBondContact O-N 3.34Å
469L91.8Very high87.5Confident114 Ų11497.5 Ų97.560%0.59751%0.508SS*.Hα-helixtrans-62.4-40174-72.1176000111.7L465 D466 L472 Q473L465-L469 WeakPolarHBondContact O-CG 3.27Å; L465-L469 PolarHBondContact O-N 2.97Å; D466-L469 PolarHBondContact O-N 3.19Å; L469-L472 PolarHBondContact O-N 3.35Å; L469-Q473 WeakPolarHBondContact O-CB 3.49Å; L469-Q473 PolarHBondContact O-N 2.88Å
470S91.5Very high85.4Confident78 Ų78100.9 Ų100.955%0.54553%0.525SS..Hα-helixtrans-64.6-42176-59.10000111.9D466 A467 S468 Q473 E474D466-S470 WeakPolarHBondContact O-CB 3.48Å; D466-S470 PolarHBondContact O-N 3.33Å; D466-S470 PolarHBondContact O-OG 3.42Å; A467-S470 PolarHBondContact O-N 2.72Å; S468-S470 VanDerWaalsContact C-N 3.32Å; S468-S470 PolarHBondContact O-N 2.98Å; S470-Q473 PolarHBondContact O-N 2.9Å; S470-E474 PolarHBondContact O-N 3.3Å
471A91Very high83.2Confident44 Ų4496.8 Ų96.836%0.36452%0.524SS..Hα-helixtrans-65-41.5176.300000112.5A467 S468 Q473 E474 Q475A467-A471 WeakPolarHBondContact O-CB 3.44Å; A467-A471 PolarHBondContact O-N 3.48Å; S468-A471 PolarHBondContact O-N 3.39Å; A471-Q473 VanDerWaalsContact C-N 3.34Å; A471-E474 PolarHBondContact O-N 2.95Å; A471-Q475 WeakPolarHBondContact O-CG 3.23Å; A471-Q475 PolarHBondContact O-N 3.4Å
472L87.8Confident80.6Confident101 Ų10192.5 Ų92.553%0.52952%0.521SS..Hα-helixtrans-62.9-41.9173.5-95.771.8000111.2S468 L469 E474 Q475 T476S468-L472 VanDerWaalsContact O-CD1 3.27Å; S468-L472 WeakPolarHBondContact O-CD1 3.46Å; S468-L472 PolarHBondContact O-N 3.34Å; L469-L472 PolarHBondContact O-N 3.35Å; L472-E474 VanDerWaalsContact C-N 3.28Å; L472-E474 PolarHBondContact O-N 3.28Å; L472-Q475 PolarHBondContact O-N 3.23Å; L472-T476 WeakPolarHBondContact O-CG2 3.43Å; L472-T476 PolarHBondContact O-N 3.42Å
473Q89.7Confident78Confident93 Ų9396 Ų9644%0.43554%0.54SS..Hα-helixtrans-61.2-38176.8-174.261.548.100111.5L469 S470 A471 T476 N477L469-Q473 WeakPolarHBondContact O-CB 3.49Å; L469-Q473 PolarHBondContact O-N 2.88Å; S470-Q473 PolarHBondContact O-N 2.9Å; A471-Q473 VanDerWaalsContact C-N 3.34Å; Q473-T476 PolarHBondContact O-OG1 3.43Å; Q473-N477 VanDerWaalsContact O-CG 3.27Å; Q473-N477 PolarHBondContact O-N 2.96Å; Q473-N477 PolarHBondContact O-ND2 3.29Å
474E86.3Confident75Confident141 Ų14198.5 Ų98.566%0.65956%0.558SS**Hα-helixtrans-68.4-42.3176-168.8170.8-168.600112.6S470 A471 L472 T476 N477 A478S470-E474 PolarHBondContact O-N 3.3Å; A471-E474 PolarHBondContact O-N 2.95Å; L472-E474 VanDerWaalsContact C-N 3.28Å; L472-E474 PolarHBondContact O-N 3.28Å; E474-T476 VanDerWaalsContact C-N 3.34Å; E474-T476 PolarHBondContact O-N 3.44Å; E474-N477 WeakPolarHBondContact O-CB 3.48Å; E474-N477 PolarHBondContact O-N 3Å; E474-N477 VanDerWaalsContact O-N 3.11Å; E474-A478 PolarHBondContact O-N 2.96Å
475Q83.7Confident72Confident118 Ų118101.7 Ų101.755%0.55157%0.574SS**Hα-helixtrans-59.4-42.8174.6-71.3176.6400112A471 L472 N477 A478 E479A471-Q475 WeakPolarHBondContact O-CG 3.23Å; A471-Q475 PolarHBondContact O-N 3.4Å; L472-Q475 PolarHBondContact O-N 3.23Å; Q475-N477 PolarHBondContact O-N 3.39Å; Q475-A478 PolarHBondContact O-N 3.23Å; Q475-E479 WeakPolarHBondContact O-CG 3.21Å; Q475-E479 PolarHBondContact O-N 3.03Å
476T81.4Confident69.3Low61 Ų61102.1 Ų102.137%0.37458%0.583SS.*Hα-helixtrans-65.4-26.417763.50000113.6L472 Q473 E474 Q480L472-T476 WeakPolarHBondContact O-CG2 3.43Å; L472-T476 PolarHBondContact O-N 3.42Å; Q473-T476 PolarHBondContact O-OG1 3.43Å; E474-T476 VanDerWaalsContact C-N 3.34Å; E474-T476 PolarHBondContact O-N 3.44Å; T476-Q480 WeakPolarHBondContact O-CG 3.46Å; T476-Q480 PolarHBondContact O-NE2 2.91Å
477N78.1Confident66.2Low97 Ų97104.6 Ų104.652%0.51960%0.601SS.*Hα-helixtrans-79.6-36.1174.4-66.5-28.2000111.4Q473 E474 Q475Q473-N477 VanDerWaalsContact O-CG 3.27Å; Q473-N477 PolarHBondContact O-N 2.96Å; Q473-N477 PolarHBondContact O-ND2 3.29Å; E474-N477 WeakPolarHBondContact O-CB 3.48Å; E474-N477 PolarHBondContact O-N 3Å; E474-N477 VanDerWaalsContact O-N 3.11Å; Q475-N477 PolarHBondContact O-N 3.39Å
478A61.3Low63.4Low54 Ų54107.1 Ų107.145%0.44662%0.615SS.*Hα-helixtrans-71.9-42.8179.200000112.6E474 Q475 Q480 S481E474-A478 PolarHBondContact O-N 2.96Å; Q475-A478 PolarHBondContact O-N 3.23Å; A478-Q480 PolarHBondContact O-N 3.26Å; A478-S481 PolarHBondContact O-N 3.44Å; A478-S481 PolarHBondContact O-OG 3.14Å
479E54.1Low60.3Low133 Ų133114.2 Ų114.262%0.62164%0.638SS**THydrogen-bonded Turntrans-65.9-21.2178.3-72.2-178.1169.800113.3Q475 S481Q475-E479 WeakPolarHBondContact O-CG 3.21Å; Q475-E479 PolarHBondContact O-N 3.03Å; E479-S481 VanDerWaalsContact C-N 3.26Å; E479-S481 PolarHBondContact O-N 3.17Å
480Q52.1Low57.2Low164 Ų164116.3 Ų116.377%0.76665%0.649SS**THydrogen-bonded Turntrans-75.6-11.4171.8-73.8-177.235.400113.6T476 A478T476-Q480 WeakPolarHBondContact O-CG 3.46Å; T476-Q480 PolarHBondContact O-NE2 2.91Å; A478-Q480 PolarHBondContact O-N 3.26Å
481S48.3Very low54Low95 Ų95122.1 Ų122.166%0.66466%0.66SS**THydrogen-bonded Turntrans-96.7-14-179.874.80000114.7A478 E479A478-S481 PolarHBondContact O-N 3.44Å; A478-S481 PolarHBondContact O-OG 3.14Å; E479-S481 VanDerWaalsContact C-N 3.26Å; E479-S481 PolarHBondContact O-N 3.17Å
482S40.7Very low51.1Low82 Ų82129 Ų12957%0.57368%0.682SS**SBendtrans-13161.8-176.767.60000112.6
483N38.8Very low48.1Very low149 Ų149131.4 Ų131.480%0.79769%0.691SS**  trans-151.270.6158.6-83.2-47.5000108.5L485N483-L485 PolarHBondContact O-N 3.44Å
484V31.2Very low45Very low138 Ų138135 Ų13584%0.83671%0.713SS**  trans-87.895.4170.5-179.40000108.1
485L30.2Very low42.1Very low161 Ų161133.5 Ų133.584%0.84371%0.708SS**  trans-136.4128.3149.8-98.5165.2000108.1N483N483-L485 PolarHBondContact O-N 3.44Å
486P36.2Very low39.2Very low114 Ų114134.8 Ų134.874%0.7472%0.719SS**  trans-90.5118.8-157.533.9-30.7000110.9
487V31Very low36.8Very low135 Ų135138.9 Ų138.982%0.81874%0.744SS**  trans-112.6111.9158.6-178.20000107.9K489V487-K489 PolarHBondContact O-N 2.83Å
488S32.4Very low34.2Very low113 Ų113143.6 Ų143.679%0.7976%0.76SS**  trans-47.3115.7-179.537.60000113.2
489K29.4Very low32.4Very low213 Ų213148.2 Ų148.293%0.92678%0.777SS**  trans-90.695.8159.5-73.6-179.3-179.6171.50108.2V487V487-K489 PolarHBondContact O-N 2.83Å
490L25.7Very low31.3Very low159 Ų159148.2 Ų148.283%0.83279%0.786SS**  trans-92.2131.3168-160.972000109.5
491Y24Very low29.8Very low199 Ų199148.7 Ų148.778%0.7879%0.788SS**  trans8498.6154.5-127.5-101.3000119.2
492K30.1Very low28.8Very low188 Ų188152.9 Ų152.982%0.81780%0.797SS**  -164.7114.4111.2-102.9171.2-174-177.80112.1
493Q25.3Very low28Very low152 Ų152157.9 Ų157.971%0.7181%0.809SS**  trans64.288138.4-118.8168.4-7.700117.9I495Q493-I495 HydrophobicContact CG-CG1 4.32Å
494N24.4Very low27.5Very low168 Ų168157.5 Ų157.590%0.89881%0.805SS**  trans-88.1119.1155.6-160-0.8000108.1
495I26.7Very low27.1Very low111 Ų111158.2 Ų158.257%0.56980%0.804SS**  trans-107128.2178.1-69.5175.5000107.4Q493Q493-I495 HydrophobicContact CG-CG1 4.32Å
496N22.3Very low27.2Very low144 Ų144156.3 Ų156.377%0.7780%0.801SS**  trans75.7102.9159.3-63.8-16.4000119.3
497T29.6Very low26.6Very low147 Ų147156 Ų15690%0.90280%0.802SS**  -139.7126123.543.40000110.4
498K24.2Very low26.2Very low196 Ų196155.4 Ų155.485%0.85280%0.798SS**  trans-52.5136171.9-59163.8177.8176.70110.5
499N24.7Very low25.9Very low152 Ų152160.2 Ų160.281%0.81381%0.805SS**  -178.8129.7129.1-97.6-13.7000114
500V29.5Very low25.6Very low132 Ų132155.2 Ų155.280%0.879%0.793SS**  trans78.7132145.1-173.80000119.1
501Q20.4Very low25.3Very low175 Ų175155 Ų15582%0.81879%0.792SS**  trans-62145-177.2-62.7162.9-42.200113.7
502E27.2Very low25.6Very low182 Ų182151.3 Ų151.385%0.8580%0.796SS**  trans164.9106.3131-92.8-178.6158.200108.3
503K24.2Very low25.2Very low188 Ų188148.5 Ų148.582%0.81780%0.795SS**  82.2127.292.5-144.7-176.1-175.9177.80113.5
504I29Very low25.3Very low140 Ų140149.5 Ų149.572%0.71881%0.805SS**  trans99.990.6159.8-46.5-179.7000118.3
505N23.5Very low25.3Very low154 Ų154149.3 Ų149.382%0.82480%0.798SS**  60.7148.9125.4-63-12.8000125.2
506P30.6Very low25.2Very low120 Ų120150.3 Ų150.378%0.77981%0.805SS**  trans-114.5153.9-16639.1-23.3000115.2
507S24.3Very low25.4Very low108 Ų108151.7 Ų151.776%0.75581%0.813SS**  trans-156.7109.5155.857.70000108.4
508V22.2Very low25.2Very low122 Ų122155.5 Ų155.574%0.73981%0.81SS**  48.398.993.7-173.60000113.1
509F27.5Very low25.5Very low215 Ų215154.1 Ų154.194%0.94381%0.812SS**  trans-145.4112.1139.8-103.6-78.8000109.2
510T22.4Very low25.6Very low107 Ų107153.6 Ų153.666%0.65681%0.814SS**  trans-97.7137.617345.10000110.2
511N20.3Very low26.3Very low154 Ų154152.8 Ų152.882%0.82481%0.812SS**  trans53.3118.9140.6-56.1-10.8000120.3
512S28.5Very low26.6Very low123 Ų123152.9 Ų152.986%0.8682%0.817SS**  trans-141.9108.7145.728.10000110.1
513T22.8Very low26.4Very low129 Ų129151.2 Ų151.279%0.79181%0.813SS**  trans-66.7136.5160.732.80000110.6
514N27.8Very low26.7Very low172 Ų172147.8 Ų147.892%0.9281%0.81SS**  trans-136.8127.5156.8-95.2-17.2000109.4
515E23.7Very low26.3Very low164 Ų164148.9 Ų148.977%0.76681%0.812SS**  trans-90.5160.6178.4-62.2-161.4148.900112.5
516N24.1Very low26.6Very low132 Ų132149.6 Ų149.671%0.70682%0.816SS**  trans64.6107.2147.7-61.5-31.6000119.3
517D27.8Very low26.4Very low174 Ų174148.5 Ų148.593%0.9381%0.811SS**  trans-144.4131.2131.2-100.5-33.8000111.9
518R25.1Very low26.9Very low226 Ų226151 Ų15185%0.85382%0.815SS**  trans-80.8141.4173.4-72.8172.2168.5173.4-3.8109.1
519N29.2Very low26.9Very low167 Ų167150.4 Ų150.489%0.89381%0.811SS**  179.6148.6124.1-88.2-36.3000112.9
520V28.3Very low27.1Very low142 Ų142146.1 Ų146.186%0.86180%0.803SS**  trans-98.8163.3-163.71570000110.9
521P44.2Very low27.4Very low115 Ų115146.6 Ų146.675%0.74781%0.805SS**  trans-107.3164.7-14436.8-30.1000117.1
522L25.4Very low27.8Very low177 Ų177145 Ų14593%0.92781%0.805SS**  trans-142.1124.9167.4-84.8160.7000111.3
523L23.7Very low27.8Very low146 Ų146145.2 Ų145.276%0.76480%0.801SS**  trans-97150.8157.4-150.499.9000106
524P29.7Very low28.2Very low117 Ų117144.8 Ų144.876%0.7680%0.798SS**  -148.1152.575.930.5-7.8000116.7
525Q21.6Very low28.2Very low163 Ų163144 Ų14476%0.76279%0.794SS**  trans27.8125.2142.6-50.9-146.319.100121
526D28.5Very low28.4Very low169 Ų169143.3 Ų143.390%0.90480%0.795SS**  -152.8147.2127.3-96.7-29.9000112.7
527S28.3Very low28.8Very low97 Ų97144.8 Ų144.868%0.67880%0.803SS**  trans-73.3135.5-170136.70000113.5
528I32.9Very low28.8Very low160 Ų160143.8 Ų143.882%0.82179%0.792SS**  trans-126.4107.8154.5-59.6178000108.7
529V22.8Very low29.2Very low110 Ų110138.2 Ų138.267%0.66779%0.788SS**  trans-62.7130.9167.6172.80000109.1T531V529-T531 HydrophobicContact CG1-CG2 4.16Å
530T32.2Very low29.3Very low125 Ų125135.9 Ų135.977%0.76778%0.78SS**  trans-130.6108.1159.3-57.50000107.7
531T29Very low29.5Very low116 Ų116137 Ų13771%0.71278%0.781SS**PPolyproline II helixtrans-71127.6178.7310000110.9V529V529-T531 HydrophobicContact CG1-CG2 4.16Å
532C28.8Very low28.8Very low122 Ų122139 Ų13982%0.82478%0.78SS**PPolyproline II helixtrans-85.7117.7172.7-40.30000108.8
533V28.2Very low29Very low127 Ų127142 Ų14277%0.7778%0.779SS**PPolyproline II helixtrans-82.4118.4170.9178.10000108.3
534T30Very low29.1Very low119 Ų119142.7 Ų142.773%0.7378%0.783SS**  trans-85.2111.9169.6400000109.6L536T534-L536 PolarHBondContact O-N 2.93Å
535D28.7Very low29.2Very low157 Ų157145.7 Ų145.784%0.8479%0.786SS**  trans-84.6110.2165.6-78.3-30.3000109.7
536L28.7Very low29.5Very low149 Ų149143.6 Ų143.678%0.7879%0.789SS**  trans-73.9119.7169.7-70.9155.8000108.6T534T534-L536 PolarHBondContact O-N 2.93Å
537N31Very low29.6Very low162 Ų162146.7 Ų146.787%0.86679%0.788SS**  trans-117.395.5153.8-157.46.6000108.3
538E28.1Very low29.6Very low153 Ų153149.6 Ų149.672%0.71580%0.796SS**  trans-85.9109.7-174.3-169.8171.9-165.900108.6
539S34.1Very low29.3Very low110 Ų110147.1 Ų147.177%0.76979%0.792SS**  trans-132.5106.1158.165.80000109.8N541S539-N541 PolarHBondContact O-N 2.84Å
540V32Very low29.6Very low117 Ų117152.1 Ų152.171%0.70980%0.801SS**  trans-7106.4162.9-172.50000116
541N32.2Very low29.5Very low165 Ų165150.5 Ų150.588%0.88279%0.794SS**  trans-153.168.9143.9-88.5-46.1000108.6S539S539-N541 PolarHBondContact O-N 2.84Å
542H28.8Very low29.3Very low159 Ų159153.5 Ų153.574%0.73680%0.799SS**  trans-89.2104.3169.3-67.3-75.7000109.5
543R30.8Very low29.5Very low240 Ų240155.8 Ų155.891%0.90680%0.797SS**SBendtrans-173.7122136.9-104.7170.8-178-154.40.5108.9
544L25.4Very low29.5Very low160 Ų160158.8 Ų158.884%0.83880%0.802SS**  trans86.154.2170.2-48.2179.5000118.8
545H31.5Very low29.3Very low180 Ų180161.3 Ų161.383%0.83381%0.806SS**  trans-127.399.8145.8-76-61.7000110.3R547H545-R547 VanDerWaalsContact C-N 3.26Å; H545-R547 PolarHBondContact O-N 3.22Å
546S27.4Very low29.2Very low119 Ų119164.9 Ų164.983%0.83281%0.809SS**  trans-57.388.3159.248.50000109.1L548S546-L548 PolarHBondContact O-N 2.89Å
547R29.9Very low29.3Very low233 Ų233162.7 Ų162.788%0.87980%0.804SS**  trans-82.7109.6169.9-76.1-179.695.7149.82.2108.1H545 S549H545-R547 VanDerWaalsContact C-N 3.26Å; H545-R547 PolarHBondContact O-N 3.22Å; R547-S549 PolarHBondContact O-N 2.87Å
548L28.4Very low29.4Very low159 Ų159164.3 Ų164.383%0.83281%0.806SS**  trans-44.6123.4166.1-79.894.4000110.3S546 Y550S546-L548 PolarHBondContact O-N 2.89Å; L548-Y550 PolarHBondContact O-N 3.03Å
549S28.4Very low29.5Very low107 Ų107165.8 Ų165.875%0.74881%0.813SS**  trans-72.4114.1168.6-175.30000108.8R547 C551R547-S549 PolarHBondContact O-N 2.87Å; S549-C551 PolarHBondContact O-N 3.18Å
550Y29.3Very low29.2Very low215 Ų215167.3 Ų167.384%0.84381%0.812SS**  trans-82.591.6174.5-124.4-92.7000108.6L548 H552L548-Y550 PolarHBondContact O-N 3.03Å; Y550-H552 PolarHBondContact O-N 2.98Å
551C28.9Very low29.2Very low92 Ų92167.3 Ų167.362%0.62282%0.815SS**  trans-76.4105.8173.5-69.50000110.3S549 H553S549-C551 PolarHBondContact O-N 3.18Å; C551-H553 PolarHBondContact O-N 3.44Å; C551-H553 PolarHBondContact O-ND1 3.02Å
552H25.5Very low29.2Very low179 Ų179166.5 Ų166.583%0.82981%0.81SS**  trans-49.7113.5168.2-91.859000111Y550Y550-H552 PolarHBondContact O-N 2.98Å
553H32.2Very low29.4Very low170 Ų170164.1 Ų164.179%0.78781%0.807SS**PPolyproline II helixtrans-101.7128.3163.2-81.972.5000109.5C551C551-H553 PolarHBondContact O-N 3.44Å; C551-H553 PolarHBondContact O-ND1 3.02Å
554H29Very low29.5Very low189 Ų189160.6 Ų160.688%0.87581%0.805SS**PPolyproline II helixtrans-59.3139.7-172.4-90-102.3000113.5
555H25.1Very low29.8Very low173 Ų173163.5 Ų163.580%0.80181%0.805SS**PPolyproline II helixtrans-66.8138.5170.7-72.545000111.7
556Y26.1Very low29.8Very low232 Ų232162.4 Ų162.491%0.9180%0.803SS**  trans-134.7141.2138.4-103.5-86.4000109.8
557P32.2Very low30.2Very low103 Ų103165.9 Ų165.967%0.66980%0.804SS**  trans-106134.8-156.335.2-22.9000112.1
558H33.1Very low30.3Very low195 Ų195166 Ų16690%0.90380%0.804SS**  trans-132.6124.4156.1-112.5-81.8000110.3
559Q30.1Very low30.4Very low184 Ų184164 Ų16486%0.8680%0.803SS**  trans-69.4129.5-171.7-65.4157.9-23.300112.1
560N27.4Very low30.8Very low142 Ų142165.5 Ų165.576%0.75981%0.808SS**  trans-163.5118.1131.5-148.3-25.4000110.1N562N560-N562 PolarHBondContact O-N 3.34Å; N560-N562 VanDerWaalsContact O-N 3.12Å
561P32.3Very low31Very low118 Ų118160.4 Ų160.477%0.76680%0.804SS**  trans-8296.2-173.432.3-32.1000110.9V563P561-V563 PolarHBondContact O-N 3.42Å
562N31.4Very low31.4Very low147 Ų147160.9 Ų160.979%0.78680%0.804SS**  trans-77.2103.3163.2-86.6-44.3000110.3N560 L564N560-N562 PolarHBondContact O-N 3.34Å; N560-N562 VanDerWaalsContact O-N 3.12Å; N562-L564 PolarHBondContact O-N 2.84Å
563V32.1Very low31.7Very low109 Ų109158.2 Ų158.266%0.66180%0.802SS**  trans3884.2131.8-1670000115.8P561 R565P561-V563 PolarHBondContact O-N 3.42Å; V563-R565 VanDerWaalsContact C-N 3.31Å; V563-R565 HydrophobicContact CG1-CG 3.73Å; V563-R565 PolarHBondContact O-N 2.94Å
564L34.6Very low31.6Very low167 Ų167161.4 Ų161.487%0.87481%0.807SS**  trans-69.689152.8-72.2167.4000108.6N562 I566N562-L564 PolarHBondContact O-N 2.84Å; L564-I566 PolarHBondContact O-N 2.87Å
565R30.4Very low31.7Very low220 Ų220156.9 Ų156.983%0.8380%0.797SS**  trans-69.499164.1-82.9-159.9-159.9-162.46.4108.7V563 K567V563-R565 VanDerWaalsContact C-N 3.31Å; V563-R565 HydrophobicContact CG1-CG 3.73Å; V563-R565 PolarHBondContact O-N 2.94Å; R565-K567 PolarHBondContact O-N 3.44Å
566I32.7Very low32Very low157 Ų157154.8 Ų154.881%0.80580%0.798SS**  trans-62.6102.4163.1-63.8161.8000107.3L564 R568L564-I566 PolarHBondContact O-N 2.87Å; I566-R568 PolarHBondContact O-N 2.86Å
567K34.3Very low32.2Very low192 Ų192150.4 Ų150.484%0.83579%0.789SS**PPolyproline II helixtrans-69.2116.8172.3-72.2179.4179.7174.40107.9R565 S569R565-K567 PolarHBondContact O-N 3.44Å; K567-S569 PolarHBondContact O-N 3.31Å
568R32Very low32Very low236 Ų236150.1 Ų150.189%0.89179%0.79SS**PPolyproline II helixtrans-58.3134.4171.9-76.6-179.9168.6157.6-3109.7I566 V570I566-R568 PolarHBondContact O-N 2.86Å; R568-V570 PolarHBondContact O-N 3.43Å
569S32Very low31.7Very low117 Ų117146.4 Ų146.482%0.81878%0.784SS**PPolyproline II helixtrans-54.5126.9171.638.40000110.9K567 S571K567-S569 PolarHBondContact O-N 3.31Å; S569-S571 PolarHBondContact O-N 3.27Å
570V36.4Very low31.4Very low138 Ų138143.4 Ų143.484%0.83677%0.774SS**  trans-82.5108.7169.4-178.30000106R568 V572R568-V570 PolarHBondContact O-N 3.43Å; V570-V572 PolarHBondContact O-N 3.01Å
571S32.3Very low31.4Very low109 Ų109146.4 Ų146.476%0.76278%0.777SS**PPolyproline II helixtrans-62.7124.9174.149.10000110.3S569S569-S571 PolarHBondContact O-N 3.27Å
572V38.6Very low31.3Very low102 Ų102149 Ų14962%0.61878%0.783SS**PPolyproline II helixtrans-59.1143.3174.5174.60000110.9V570 R574V570-V572 PolarHBondContact O-N 3.01Å; V572-R574 PolarHBondContact O-N 2.94Å
573P31.2Very low31.1Very low122 Ų122153 Ų15379%0.79279%0.787SS**PPolyproline II helixtrans-66.4118.6178.1-11.827000110.2
574R29.8Very low30.9Very low237 Ų237155.1 Ų155.189%0.89480%0.795SS**PPolyproline II helixtrans-68.2133.6171.8-79.2-179.2169.1164.9-3.7109.7V572V572-R574 PolarHBondContact O-N 2.94Å
575S32.1Very low30.6Very low94 Ų94151.9 Ų151.966%0.65778%0.782SS**PPolyproline II helixtrans-51.6146.3170.742.70000111.7I577S575-I577 PolarHBondContact O-N 3.49Å
576P31.7Very low30.5Very low129 Ų129148.3 Ų148.384%0.83878%0.779SS**  trans-70.9101.4-17327.1-31.6000110.2S578P576-S578 PolarHBondContact O-N 3.14Å
577I30.6Very low30.4Very low140 Ų140148.6 Ų148.672%0.71878%0.783SS**  trans-65.9116164-63.8171.3000106.6S575 C579S575-I577 PolarHBondContact O-N 3.49Å; I577-C579 PolarHBondContact O-N 2.94Å
578S26.4Very low30.4Very low98 Ų98144.5 Ų144.569%0.68578%0.775SS**  trans-56.393.3169.7-179.80000109.8P576P576-S578 PolarHBondContact O-N 3.14Å
579C27.2Very low30.2Very low116 Ų116141.8 Ų141.878%0.78477%0.773SS**  trans-10286.2169.5-75.70000108.5I577I577-C579 PolarHBondContact O-N 2.94Å
580N24.4Very low30.3Very low122 Ų122143.7 Ų143.765%0.65277%0.772SS**  trans-69.3135.9162.6-79.5-32.7000109.9
581Y26.7Very low29.8Very low205 Ų205142.9 Ų142.980%0.80477%0.772SS**  trans69108.9163.5-56.6-72.7000119
582L31.2Very low29.9Very low173 Ų173141.8 Ų141.891%0.90677%0.765SS**  -155.397.4116.9-102.6156.5000108.7N584L582-N584 PolarHBondContact O-N 3.41Å
583R25.9Very low29.7Very low231 Ų231145.4 Ų145.487%0.87278%0.775SS**  trans-56.5118.1153.6-85.7-179.7-171.7163.83.1106.3
584N27.5Very low29.9Very low152 Ų152146.6 Ų146.681%0.81377%0.769SS**  trans-134.2112.9144.4-147.96.6000109L582L582-N584 PolarHBondContact O-N 3.41Å
585T29.1Very low30.1Very low99 Ų99143.7 Ų143.761%0.60777%0.77SS**  trans-69.3155.7172.945.10000110.2
586N28.4Very low30.6Very low145 Ų145145.8 Ų145.878%0.77577%0.77SS**  trans101.186.7164.1-50-24.6000115.9
587N30.9Very low31Very low164 Ų164144.7 Ų144.788%0.87776%0.757SS**  -158.9118.1121.1-106.2-22.7000111
588P35Very low31.8Very low105 Ų105142.4 Ų142.468%0.68275%0.753SS**  trans-85.4159.4172.135.4-29.6000110.2
589H27.4Very low33.2Very low180 Ų180142.4 Ų142.483%0.83375%0.749SS**  trans86.579.9-174.8-65.4-87.7000115.9
590I32.5Very low35Very low157 Ų157139.2 Ų139.281%0.80573%0.728SS**  -146.1115.3118.4-82.1128.8000106.3S592I590-S592 PolarHBondContact O-N 3.05Å
591S26.8Very low37.3Very low121 Ų121138.2 Ų138.285%0.84673%0.726SS**  trans-80.7107.3164.9-177.90000107.2
592S34.1Very low39.5Very low86 Ų86132.4 Ų132.460%0.60172%0.716SS**  trans-154.892.8164.361.90000109.8I590I590-S592 PolarHBondContact O-N 3.05Å
593H33.7Very low41.7Very low178 Ų178133.1 Ų133.182%0.82471%0.706SS**  trans32.397.9142.4-68.1-83.8000118.1L595H593-L595 PolarHBondContact O-N 2.82Å
594H35.7Very low44.3Very low146 Ų146126.8 Ų126.868%0.67669%0.69SS**  5761.9123.1-151.863.8000117.4H596H594-H596 AromaticContact CD2-CD2 3.48Å; H594-H596 PolarHBondContact CD2-CD2 2.96Å; H594-H596 VanDerWaalsContact CD2-CD2 3.48Å; H594-H596 AromaticContact CD2-NE2 3.93Å; H594-H596 AromaticContact CE1-CD2 3.16Å; H594-H596 PolarHBondContact CE1-CD2 2.99Å; H594-H596 AromaticContact CE1-CE1 3.55Å; H594-H596 AromaticContact CE1-NE2 2.83Å; H594-H596 PolarHBondContact CE1-NE2 2.88Å; H594-H596 AromaticContact CG-CD2 4Å; H594-H596 AromaticContact ND1-CD2 3.8Å; H594-H596 AromaticContact ND1-NE2 3.79Å; H594-H596 AromaticContact NE2-CD2 2.94Å; H594-H596 PolarHBondContact NE2-CD2 3.36Å; H594-H596 AromaticContact NE2-NE2 2.93Å; H594-H596 PolarHBondContact NE2-NE2 3.05Å; H594-H596 PolarHBondContact O-N 3.26Å
595L35.8Very low46.9Very low176 Ų176124.7 Ų124.792%0.92168%0.678SS**  trans-79.293.5155.4-78.4166.8000108.1H593 D597H593-L595 PolarHBondContact O-N 2.82Å; L595-D597 PolarHBondContact O-N 3.21Å
596H40.6Very low49.6Very low139 Ų139122.7 Ų122.764%0.64467%0.671SS**  trans-66.9125.6170.1-98.3-59.2000110.7H594 S598H594-H596 AromaticContact CD2-CD2 3.48Å; H594-H596 PolarHBondContact CD2-CD2 2.96Å; H594-H596 VanDerWaalsContact CD2-CD2 3.48Å; H594-H596 AromaticContact CD2-NE2 3.93Å; H594-H596 AromaticContact CE1-CD2 3.16Å; H594-H596 PolarHBondContact CE1-CD2 2.99Å; H594-H596 AromaticContact CE1-CE1 3.55Å; H594-H596 AromaticContact CE1-NE2 2.83Å; H594-H596 PolarHBondContact CE1-NE2 2.88Å; H594-H596 AromaticContact CG-CD2 4Å; H594-H596 AromaticContact ND1-CD2 3.8Å; H594-H596 AromaticContact ND1-NE2 3.79Å; H594-H596 AromaticContact NE2-CD2 2.94Å; H594-H596 PolarHBondContact NE2-CD2 3.36Å; H594-H596 AromaticContact NE2-NE2 2.93Å; H594-H596 PolarHBondContact NE2-NE2 3.05Å; H594-H596 PolarHBondContact O-N 3.26Å; H596-S598 PolarHBondContact O-N 2.9Å
597D41.5Very low52.2Low106 Ų106120.2 Ų120.257%0.56766%0.662SS**  trans-3790175.4-72.2-58.4000116.1L595 S600L595-D597 PolarHBondContact O-N 3.21Å; D597-S600 PolarHBondContact O-OG 3.33Å
598S46.3Very low54.6Low92 Ų92115.5 Ų115.564%0.64364%0.641SS**Hα-helixtrans-74.1-15.1161.355.30000112.9H596 S602H596-S598 PolarHBondContact O-N 2.9Å; S598-S602 PolarHBondContact O-OG 3.02Å
599T56.8Low56.8Low98 Ų98114.9 Ų114.960%0.60163%0.632SS**Hα-helixtrans-72.7-25.2173.435.50000113.2R603T599-R603 WeakPolarHBondContact O-CB 3.47Å; T599-R603 PolarHBondContact O-N 3.35Å
600S65.7Low59.5Low48 Ų48108.8 Ų108.834%0.33661%0.613SS.*Hα-helixtrans-70.7-52.6177.964.10000111.5D597 S602 R603 D604D597-S600 PolarHBondContact O-OG 3.33Å; S600-S602 VanDerWaalsContact C-N 3.31Å; S600-S602 PolarHBondContact O-N 3.24Å; S600-R603 CarbonylContact O-C 3.58Å; S600-R603 WeakPolarHBondContact O-CA 3.49Å; S600-R603 WeakPolarHBondContact O-CB 3.44Å; S600-R603 PolarHBondContact O-N 2.91Å; S600-D604 PolarHBondContact O-N 2.84Å
601V71.2Confident62.2Low101 Ų101104.1 Ų104.161%0.61259%0.594SS**Hα-helixtrans-59.2-40.7-177.8-176.40000112.2R603 D604 L605V601-R603 VanDerWaalsContact C-N 3.29Å; V601-R603 PolarHBondContact O-N 2.72Å; V601-D604 PolarHBondContact O-N 2.8Å; V601-L605 VanDerWaalsContact O-CB 3.28Å; V601-L605 WeakPolarHBondContact O-CB 3.2Å; V601-L605 PolarHBondContact O-N 3.46Å
602S72.5Confident64.9Low84 Ų84102.5 Ų102.559%0.58758%0.575SS**Hα-helixtrans-66.1-33.9176.8-55.90000111.9S598 S600 A606S598-S602 PolarHBondContact O-OG 3.02Å; S600-S602 VanDerWaalsContact C-N 3.31Å; S600-S602 PolarHBondContact O-N 3.24Å; S602-A606 WeakPolarHBondContact O-CB 3.43Å; S602-A606 PolarHBondContact O-N 2.94Å; S602-A606 VanDerWaalsContact O-N 3.14Å
603R78.5Confident67.4Low187 Ų187103.2 Ų103.271%0.70657%0.572SS**Hα-helixtrans-75.6-42.7178.4-156.9-177.9-164.691.60.5111.3T599 S600 V601 L605 A606 V607T599-R603 WeakPolarHBondContact O-CB 3.47Å; T599-R603 PolarHBondContact O-N 3.35Å; S600-R603 CarbonylContact O-C 3.58Å; S600-R603 WeakPolarHBondContact O-CA 3.49Å; S600-R603 WeakPolarHBondContact O-CB 3.44Å; S600-R603 PolarHBondContact O-N 2.91Å; V601-R603 VanDerWaalsContact C-N 3.29Å; V601-R603 PolarHBondContact O-N 2.72Å; R603-L605 VanDerWaalsContact C-N 3.33Å; R603-A606 PolarHBondContact O-N 2.99Å; R603-V607 VanDerWaalsContact O-CG2 3.3Å; R603-V607 WeakPolarHBondContact O-CG2 3.33Å; R603-V607 PolarHBondContact O-N 3.15Å
604D79.4Confident69.8Low99 Ų9999.7 Ų99.753%0.52956%0.562SS.*Hα-helixtrans-65.5-38.8177.9-64.8-22.4000111.4S600 V601 V607 S608S600-D604 PolarHBondContact O-N 2.84Å; V601-D604 PolarHBondContact O-N 2.8Å; D604-V607 PolarHBondContact O-N 3.42Å; D604-S608 WeakPolarHBondContact O-CB 3.42Å; D604-S608 PolarHBondContact O-N 3.48Å; D604-S608 PolarHBondContact O-OG 2.91Å
605L82.4Confident72Confident107 Ų10798.4 Ų98.456%0.5656%0.557SS**Hα-helixtrans-63.1-46.2172.3-177.365.5000111.3V601 R603 V607 S608 L609V601-L605 VanDerWaalsContact O-CB 3.28Å; V601-L605 WeakPolarHBondContact O-CB 3.2Å; V601-L605 PolarHBondContact O-N 3.46Å; R603-L605 VanDerWaalsContact C-N 3.33Å; L605-V607 VanDerWaalsContact C-N 3.34Å; L605-V607 PolarHBondContact O-N 3.02Å; L605-S608 PolarHBondContact O-N 3.08Å; L605-L609 HydrophobicContact CD1-CG 4.48Å; L605-L609 HydrophobicContact CG-CD1 4.21Å; L605-L609 WeakPolarHBondContact O-CG 3.35Å; L605-L609 PolarHBondContact O-N 3.12Å
606A85.4Confident74.1Confident57 Ų5794.7 Ų94.747%0.47154%0.537SS..Hα-helixtrans-62.3-40178.500000112.4S602 R603 A610S602-A606 WeakPolarHBondContact O-CB 3.43Å; S602-A606 PolarHBondContact O-N 2.94Å; S602-A606 VanDerWaalsContact O-N 3.14Å; R603-A606 PolarHBondContact O-N 2.99Å; A606-A610 WeakPolarHBondContact O-CB 3.43Å; A606-A610 PolarHBondContact O-N 3.41Å
607V83.2Confident76.1Confident94 Ų9494.9 Ų94.957%0.5754%0.538SS*.Hα-helixtrans-65.3-40.9174.91720000111.1R603 D604 L605 A610 S611R603-V607 VanDerWaalsContact O-CG2 3.3Å; R603-V607 WeakPolarHBondContact O-CG2 3.33Å; R603-V607 PolarHBondContact O-N 3.15Å; D604-V607 PolarHBondContact O-N 3.42Å; L605-V607 VanDerWaalsContact C-N 3.34Å; L605-V607 PolarHBondContact O-N 3.02Å; V607-A610 PolarHBondContact O-N 3.48Å; V607-S611 PolarHBondContact O-N 3.4Å
608S82.7Confident77.8Confident64 Ų6494 Ų9445%0.44853%0.533SS..Hα-helixtrans-65.1-44.1178.2-59.60000111.9D604 L605 S611 I612D604-S608 WeakPolarHBondContact O-CB 3.42Å; D604-S608 PolarHBondContact O-N 3.48Å; D604-S608 PolarHBondContact O-OG 2.91Å; L605-S608 PolarHBondContact O-N 3.08Å; S608-S611 WeakPolarHBondContact O-CB 3.32Å; S608-S611 PolarHBondContact O-N 3.34Å; S608-I612 WeakPolarHBondContact O-CG1 3.46Å; S608-I612 PolarHBondContact O-N 2.96Å; S608-I612 VanDerWaalsContact O-N 3.08Å
609L80.8Confident79.3Confident93 Ų9393.6 Ų93.649%0.48753%0.527SS..Hα-helixtrans-62.2-44.6175.8-70.5173.3000111.5L605 S611 I612 D613L605-L609 HydrophobicContact CD1-CG 4.48Å; L605-L609 HydrophobicContact CG-CD1 4.21Å; L605-L609 WeakPolarHBondContact O-CG 3.35Å; L605-L609 PolarHBondContact O-N 3.12Å; L609-S611 VanDerWaalsContact C-N 3.28Å; L609-S611 PolarHBondContact O-N 3Å; L609-I612 PolarHBondContact O-N 3.43Å; L609-D613 PolarHBondContact O-N 3.3Å
610A84.8Confident80.2Confident52 Ų5293 Ų9343%0.4352%0.52SS..Hα-helixtrans-61.7-35.2175.800000112.7A606 V607 D613 V614A606-A610 WeakPolarHBondContact O-CB 3.43Å; A606-A610 PolarHBondContact O-N 3.41Å; V607-A610 PolarHBondContact O-N 3.48Å; A610-D613 PolarHBondContact O-N 3.22Å; A610-V614 WeakPolarHBondContact O-CG2 3.35Å; A610-V614 PolarHBondContact O-N 3.01Å; A610-V614 VanDerWaalsContact O-N 3.12Å
611S88.4Confident80.9Confident58 Ų5897.7 Ų97.741%0.40653%0.534SS..Hα-helixtrans-65.7-43.3175.2-173.10000112.1V607 S608 L609 D613 V614 Q615V607-S611 PolarHBondContact O-N 3.4Å; S608-S611 WeakPolarHBondContact O-CB 3.32Å; S608-S611 PolarHBondContact O-N 3.34Å; L609-S611 VanDerWaalsContact C-N 3.28Å; L609-S611 PolarHBondContact O-N 3Å; S611-D613 VanDerWaalsContact C-N 3.33Å; S611-V614 PolarHBondContact O-N 3.02Å; S611-Q615 WeakPolarHBondContact O-CG 3.41Å; S611-Q615 PolarHBondContact O-N 3.22Å; S611-Q615 PolarHBondContact OG-NE2 3.46Å
612I83.1Confident80.8Confident87 Ų8798 Ų9845%0.44653%0.528SS..Hα-helixtrans-62.4-43.5176.9-67166000110.2S608 L609 V614 Q615 L616S608-I612 WeakPolarHBondContact O-CG1 3.46Å; S608-I612 PolarHBondContact O-N 2.96Å; S608-I612 VanDerWaalsContact O-N 3.08Å; L609-I612 PolarHBondContact O-N 3.43Å; I612-V614 PolarHBondContact O-N 3.3Å; I612-Q615 PolarHBondContact O-N 3.26Å; I612-L616 HydrophobicContact CG2-CD1 3.92Å; I612-L616 HydrophobicContact CG2-CG 4.32Å; I612-L616 WeakPolarHBondContact O-CG 3.46Å; I612-L616 PolarHBondContact O-N 2.95Å
613D85.9Confident80.2Confident101 Ų10198.8 Ų98.854%0.5453%0.526SS..Hα-helixtrans-61.2-43178.7-73.1-24.7000112L609 A610 S611 Q615 L616 H617L609-D613 PolarHBondContact O-N 3.3Å; A610-D613 PolarHBondContact O-N 3.22Å; S611-D613 VanDerWaalsContact C-N 3.33Å; D613-Q615 PolarHBondContact O-N 2.92Å; D613-L616 PolarHBondContact O-N 3.43Å; D613-H617 WeakPolarHBondContact O-CB 3.34Å; D613-H617 PolarHBondContact O-N 2.77Å
614V85Confident79.9Confident104 Ų10495.5 Ų95.563%0.6352%0.522SS*.Hα-helixtrans-62.2-42.6175.3170.90000111.4A610 S611 I612 H617 N618A610-V614 WeakPolarHBondContact O-CG2 3.35Å; A610-V614 PolarHBondContact O-N 3.01Å; A610-V614 VanDerWaalsContact O-N 3.12Å; S611-V614 PolarHBondContact O-N 3.02Å; I612-V614 PolarHBondContact O-N 3.3Å; V614-H617 PolarHBondContact O-N 3.02Å; V614-N618 PolarHBondContact O-N 3.26Å
615Q80.9Confident79Confident120 Ų12093.9 Ų93.956%0.56152%0.518SS*.Hα-helixtrans-64.1-45.1177.9-71.1176.138.900111.6S611 I612 D613 H617 N618 V619S611-Q615 WeakPolarHBondContact O-CG 3.41Å; S611-Q615 PolarHBondContact O-N 3.22Å; S611-Q615 PolarHBondContact OG-NE2 3.46Å; I612-Q615 PolarHBondContact O-N 3.26Å; D613-Q615 PolarHBondContact O-N 2.92Å; Q615-H617 VanDerWaalsContact C-N 3.33Å; Q615-H617 PolarHBondContact O-N 3.48Å; Q615-N618 PolarHBondContact O-N 3.35Å; Q615-V619 WeakPolarHBondContact O-CG2 3.35Å; Q615-V619 PolarHBondContact O-N 3.45Å
616L80.7Confident77.6Confident97 Ų9795 Ų9551%0.50853%0.525SS..Hα-helixtrans-62.1-40.9176.3-74.6173.4000111.8I612 D613 N618 V619 L620I612-L616 HydrophobicContact CG2-CD1 3.92Å; I612-L616 HydrophobicContact CG2-CG 4.32Å; I612-L616 WeakPolarHBondContact O-CG 3.46Å; I612-L616 PolarHBondContact O-N 2.95Å; D613-L616 PolarHBondContact O-N 3.43Å; L616-N618 VanDerWaalsContact C-N 3.28Å; L616-N618 PolarHBondContact O-N 2.85Å; L616-V619 PolarHBondContact O-N 2.81Å; L616-L620 WeakPolarHBondContact O-CB 3.28Å; L616-L620 VanDerWaalsContact O-CG 3.31Å; L616-L620 WeakPolarHBondContact O-CG 3.41Å; L616-L620 PolarHBondContact O-N 3.13Å
617H83Confident75.7Confident144 Ų14495.7 Ų95.767%0.66752%0.523SS*.Hα-helixtrans-62.6-37.7176.2-136.982.2000111.8D613 V614 Q615 K621D613-H617 WeakPolarHBondContact O-CB 3.34Å; D613-H617 PolarHBondContact O-N 2.77Å; V614-H617 PolarHBondContact O-N 3.02Å; Q615-H617 VanDerWaalsContact C-N 3.33Å; Q615-H617 PolarHBondContact O-N 3.48Å; H617-K621 WeakPolarHBondContact O-CB 3.17Å; H617-K621 PolarHBondContact O-N 3.29Å
618N77.2Confident73.8Confident87 Ų8797.8 Ų97.847%0.46553%0.531SS..Hα-helixtrans-71.5-39.7178.9-145.526.2000112V614 Q615 L616 K621 H622V614-N618 PolarHBondContact O-N 3.26Å; Q615-N618 PolarHBondContact O-N 3.35Å; L616-N618 VanDerWaalsContact C-N 3.28Å; L616-N618 PolarHBondContact O-N 2.85Å; N618-K621 PolarHBondContact O-N 3.41Å; N618-H622 PolarHBondContact O-CD2 3.36Å; N618-H622 PolarHBondContact O-N 3.12Å
619V77.2Confident72.4Confident84 Ų84102.3 Ų102.351%0.50955%0.546SS..Hα-helixtrans-62.5-45173.5173.50000110.8Q615 L616 H622 L623Q615-V619 WeakPolarHBondContact O-CG2 3.35Å; Q615-V619 PolarHBondContact O-N 3.45Å; L616-V619 PolarHBondContact O-N 2.81Å; V619-H622 PolarHBondContact O-N 2.94Å; V619-L623 HydrophobicContact CG1-CD1 4.19Å; V619-L623 WeakPolarHBondContact O-CG 3.45Å; V619-L623 PolarHBondContact O-N 3.02Å
620L76.9Confident71.1Confident85 Ų85102.6 Ų102.645%0.44556%0.555SS.*Hα-helixtrans-62.8-42.6176.6-72.7169.6000111.8L616 H622 L623 D624L616-L620 WeakPolarHBondContact O-CB 3.28Å; L616-L620 VanDerWaalsContact O-CG 3.31Å; L616-L620 WeakPolarHBondContact O-CG 3.41Å; L616-L620 PolarHBondContact O-N 3.13Å; L620-H622 VanDerWaalsContact C-N 3.32Å; L620-H622 PolarHBondContact O-N 3.23Å; L620-L623 WeakPolarHBondContact O-CB 3.37Å; L620-L623 PolarHBondContact O-N 3.34Å; L620-L623 VanDerWaalsContact O-N 3.12Å; L620-D624 PolarHBondContact O-N 3.01Å
621K80.7Confident69.5Low146 Ų146105 Ų10564%0.63556%0.56SS**Hα-helixtrans-61-40.3175.4-173.8178.8179.5-177.70112.3H617 N618 L623 D624 S625H617-K621 WeakPolarHBondContact O-CB 3.17Å; H617-K621 PolarHBondContact O-N 3.29Å; N618-K621 PolarHBondContact O-N 3.41Å; K621-L623 VanDerWaalsContact C-N 3.32Å; K621-D624 PolarHBondContact O-N 3.37Å; K621-S625 WeakPolarHBondContact O-CB 3.28Å; K621-S625 PolarHBondContact O-N 3.12Å; K621-S625 PolarHBondContact O-OG 3.04Å
622H68.8Low68Low107 Ų107107.2 Ų107.250%0.49556%0.564SS.*Hα-helixtrans-66.2-34.2174.6-79-55.6000112.7N618 V619 L620 S625 N626N618-H622 PolarHBondContact O-CD2 3.36Å; N618-H622 PolarHBondContact O-N 3.12Å; V619-H622 PolarHBondContact O-N 2.94Å; L620-H622 VanDerWaalsContact C-N 3.32Å; L620-H622 PolarHBondContact O-N 3.23Å; H622-S625 WeakPolarHBondContact CA-OG 3.43Å; H622-S625 PolarHBondContact O-OG 2.97Å; H622-N626 WeakPolarHBondContact O-CB 3.38Å; H622-N626 PolarHBondContact O-N 3.24Å; H622-N626 PolarHBondContact O-ND2 3.34Å
623L60.3Low66.8Low102 Ų102106.8 Ų106.853%0.53457%0.569SS.*Hα-helixtrans-69.2-41174.8-69.3170000111.6V619 L620 K621 N626 T627V619-L623 HydrophobicContact CG1-CD1 4.19Å; V619-L623 WeakPolarHBondContact O-CG 3.45Å; V619-L623 PolarHBondContact O-N 3.02Å; L620-L623 WeakPolarHBondContact O-CB 3.37Å; L620-L623 PolarHBondContact O-N 3.34Å; L620-L623 VanDerWaalsContact O-N 3.12Å; K621-L623 VanDerWaalsContact C-N 3.32Å; L623-N626 PolarHBondContact O-N 3.2Å; L623-T627 PolarHBondContact O-OG1 3.32Å
624D71.2Confident65.3Low118 Ų118107.7 Ų107.763%0.63157%0.57SS**Hα-helixtrans-70.2-37.4177.7-76-12.9000112.2L620 K621 N626 T627L620-D624 PolarHBondContact O-N 3.01Å; K621-D624 PolarHBondContact O-N 3.37Å; D624-N626 VanDerWaalsContact C-N 3.29Å; D624-N626 PolarHBondContact O-N 3.2Å; D624-T627 WeakPolarHBondContact CA-OG1 3.39Å; D624-T627 PolarHBondContact O-N 3.22Å; D624-T627 PolarHBondContact O-OG1 3.06Å
625S60.4Low64.2Low64 Ų64106.3 Ų106.345%0.44856%0.558SS.*Hα-helixtrans-70-24.4177.460.80000113.7K621 H622 T627K621-S625 WeakPolarHBondContact O-CB 3.28Å; K621-S625 PolarHBondContact O-N 3.12Å; K621-S625 PolarHBondContact O-OG 3.04Å; H622-S625 WeakPolarHBondContact CA-OG 3.43Å; H622-S625 PolarHBondContact O-OG 2.97Å; S625-T627 VanDerWaalsContact C-N 3.28Å
626N52.3Low63Low131 Ų131104.7 Ų104.770%0.70155%0.553SS**THydrogen-bonded Turntrans-85.6-1.7177.3-69.9-25.1000112.8H622 L623 D624H622-N626 WeakPolarHBondContact O-CB 3.38Å; H622-N626 PolarHBondContact O-N 3.24Å; H622-N626 PolarHBondContact O-ND2 3.34Å; L623-N626 PolarHBondContact O-N 3.2Å; D624-N626 VanDerWaalsContact C-N 3.29Å; D624-N626 PolarHBondContact O-N 3.2Å
627T46.7Very low61.9Low71 Ų71105.1 Ų105.144%0.43655%0.553SS.*THydrogen-bonded Turntrans-987.917944.20000114.6L623 D624 S625 E629L623-T627 PolarHBondContact O-OG1 3.32Å; D624-T627 WeakPolarHBondContact CA-OG1 3.39Å; D624-T627 PolarHBondContact O-N 3.22Å; D624-T627 PolarHBondContact O-OG1 3.06Å; S625-T627 VanDerWaalsContact C-N 3.28Å; T627-E629 PolarHBondContact O-N 3.47Å
628D43.4Very low60.9Low138 Ų138104.1 Ų104.174%0.73854%0.544SS*.SBendtrans-73124.3-176-113.5-15.6000112.6S630D628-S630 PolarHBondContact O-N 3.37Å
629E53.7Low60Low160 Ų160104.1 Ų104.175%0.74854%0.543SS*.SBendtrans71.2-48168.7-54.3-153.6153.500120.1T627 S633T627-E629 PolarHBondContact O-N 3.47Å; E629-S633 WeakPolarHBondContact O-CB 3.48Å; E629-S633 PolarHBondContact O-N 2.78Å
630S52.2Low58.7Low99 Ų99107.2 Ų107.269%0.69255%0.552SS**Hα-helixtrans-72-42.5-172-179.30000113.6D628 H634D628-S630 PolarHBondContact O-N 3.37Å; S630-H634 PolarHBondContact O-N 3.44Å
631L50.8Low57.5Low101 Ų101107.6 Ų107.653%0.52955%0.554SS.*Hα-helixtrans-77.9-32179.9-90.4166.3000112.7S633 H634 I635L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 2.98Å; L631-H634 PolarHBondContact O-N 3.32Å; L631-H634 VanDerWaalsContact O-N 3.16Å; L631-I635 WeakPolarHBondContact O-CB 3.18Å; L631-I635 VanDerWaalsContact O-CG1 3.23Å; L631-I635 WeakPolarHBondContact O-CG1 3.44Å; L631-I635 PolarHBondContact O-N 3.03Å
632Q57.1Low56Low106 Ų106105.9 Ų105.950%0.49555%0.548SS..Hα-helixtrans-67.6-35.4176.7-16166.529.700111.2I635 N636Q632-I635 PolarHBondContact O-N 3.3Å; Q632-N636 WeakPolarHBondContact O-CB 3.41Å; Q632-N636 VanDerWaalsContact O-CG 3.28Å; Q632-N636 PolarHBondContact O-N 2.8Å; Q632-N636 PolarHBondContact O-ND2 3.38Å
633S59.3Low54.6Low78 Ų78108.6 Ų108.655%0.54556%0.555SS.*Hα-helixtrans-59.9-46.5167.8167.30000111.5E629 L631 I635 N636 H637E629-S633 WeakPolarHBondContact O-CB 3.48Å; E629-S633 PolarHBondContact O-N 2.78Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 2.98Å; S633-I635 VanDerWaalsContact C-N 3.34Å; S633-I635 PolarHBondContact O-N 3.03Å; S633-N636 PolarHBondContact O-N 3.29Å; S633-H637 WeakPolarHBondContact O-CB 3.47Å; S633-H637 PolarHBondContact O-N 3.27Å
634H53.2Low53.6Low119 Ų119108.2 Ų108.255%0.55156%0.559SS**Hα-helixtrans-64.6-37.5178.3-162.675.7000112.6S630 L631 Y638S630-H634 PolarHBondContact O-N 3.44Å; L631-H634 PolarHBondContact O-N 3.32Å; L631-H634 VanDerWaalsContact O-N 3.16Å; H634-Y638 VanDerWaalsContact O-CB 3.27Å; H634-Y638 WeakPolarHBondContact O-CB 3.27Å; H634-Y638 PolarHBondContact O-N 3.19Å
635I62.6Low51.6Low75 Ų75110.8 Ų110.839%0.38557%0.571SS.*Hα-helixtrans-66.3-44.5175.2-69.5163.1000110.7L631 Q632 S633 Y638 I639L631-I635 WeakPolarHBondContact O-CB 3.18Å; L631-I635 VanDerWaalsContact O-CG1 3.23Å; L631-I635 WeakPolarHBondContact O-CG1 3.44Å; L631-I635 PolarHBondContact O-N 3.03Å; Q632-I635 PolarHBondContact O-N 3.3Å; S633-I635 VanDerWaalsContact C-N 3.34Å; S633-I635 PolarHBondContact O-N 3.03Å; I635-Y638 PolarHBondContact O-N 2.94Å; I635-I639 HydrophobicContact CG2-CD1 3.7Å; I635-I639 HydrophobicContact CG2-CG1 4.47Å; I635-I639 WeakPolarHBondContact O-CB 3.47Å; I635-I639 WeakPolarHBondContact O-CG1 3.44Å; I635-I639 PolarHBondContact O-N 3.11Å
636N56.5Low50.3Low86 Ų86112.8 Ų112.846%0.4659%0.585SS.*Hα-helixtrans-66.6-39.9177.9-73-19.1000112Q632 S633 I639 Q640Q632-N636 WeakPolarHBondContact O-CB 3.41Å; Q632-N636 VanDerWaalsContact O-CG 3.28Å; Q632-N636 PolarHBondContact O-N 2.8Å; Q632-N636 PolarHBondContact O-ND2 3.38Å; S633-N636 PolarHBondContact O-N 3.29Å; N636-I639 PolarHBondContact O-N 3.46Å; N636-Q640 WeakPolarHBondContact O-CB 3.45Å; N636-Q640 WeakPolarHBondContact O-CG 3.35Å; N636-Q640 PolarHBondContact O-N 3.42Å
637H57.3Low49.3Very low107 Ų107109.5 Ų109.550%0.49558%0.582SS.*Hα-helixtrans-64.8-40.8174.7-174.6-96.4000111.7S633 N641S633-H637 WeakPolarHBondContact O-CB 3.47Å; S633-H637 PolarHBondContact O-N 3.27Å; H637-N641 PolarHBondContact CE1-ND2 2.78Å; H637-N641 PolarHBondContact ND1-ND2 2.95Å; H637-N641 PolarHBondContact NE2-ND2 2.97Å; H637-N641 WeakPolarHBondContact O-CB 3.43Å; H637-N641 PolarHBondContact O-N 3.12Å; H637-N641 VanDerWaalsContact O-N 3.12Å; H637-N641 PolarHBondContact O-ND2 2.95Å
638Y61.7Low48.4Very low123 Ų123113.7 Ų113.748%0.48260%0.6SS.*Hα-helixtrans-65.9-40.6175.6-171.6-90.2000112.1H634 I635 N641 H642H634-Y638 VanDerWaalsContact O-CB 3.27Å; H634-Y638 WeakPolarHBondContact O-CB 3.27Å; H634-Y638 PolarHBondContact O-N 3.19Å; I635-Y638 PolarHBondContact O-N 2.94Å; Y638-N641 PolarHBondContact O-N 3.32Å; Y638-H642 AromaticContact CD2-CD2 3.35Å; Y638-H642 WeakPolarHBondContact CD2-CD2 3.42Å; Y638-H642 AromaticContact CD2-NE2 3.82Å; Y638-H642 HydrophobicContact CE1-CB 4.23Å; Y638-H642 AromaticContact CE2-CD2 3.26Å; Y638-H642 WeakPolarHBondContact CE2-CD2 3.43Å; Y638-H642 AromaticContact CE2-NE2 3.59Å; Y638-H642 AromaticContact CG-CD2 3.79Å; Y638-H642 AromaticContact CZ-CD2 3.63Å; Y638-H642 WeakPolarHBondContact O-CB 3.09Å; Y638-H642 PolarHBondContact O-CD2 3.17Å; Y638-H642 PolarHBondContact O-N 3.19Å
639I57.9Low47.9Very low86 Ų86113.6 Ų113.644%0.44161%0.605SS.*Hα-helixtrans-67.5-41178-68.8167.1000111.2I635 N636 N641 Y643I635-I639 HydrophobicContact CG2-CD1 3.7Å; I635-I639 HydrophobicContact CG2-CG1 4.47Å; I635-I639 WeakPolarHBondContact O-CB 3.47Å; I635-I639 WeakPolarHBondContact O-CG1 3.44Å; I635-I639 PolarHBondContact O-N 3.11Å; N636-I639 PolarHBondContact O-N 3.46Å; I639-N641 PolarHBondContact O-N 3.24Å; I639-Y643 CarbonylContact O-C 3.48Å; I639-Y643 PolarHBondContact O-N 3.44Å
640Q50.8Low46.6Very low149 Ų149112.5 Ų112.570%0.69660%0.604SS**Hα-helixtrans-65.8-36.2177.4-80-178.7-26.200113N636N636-Q640 WeakPolarHBondContact O-CB 3.45Å; N636-Q640 WeakPolarHBondContact O-CG 3.35Å; N636-Q640 PolarHBondContact O-N 3.42Å
641N50.8Low45.4Very low94 Ų94115.5 Ų115.550%0.50361%0.607SS.*Hα-helixtrans-87.2-26.1-176.8-67.1-17000113.9H637 Y638 I639H637-N641 PolarHBondContact CE1-ND2 2.78Å; H637-N641 PolarHBondContact ND1-ND2 2.95Å; H637-N641 PolarHBondContact NE2-ND2 2.97Å; H637-N641 WeakPolarHBondContact O-CB 3.43Å; H637-N641 PolarHBondContact O-N 3.12Å; H637-N641 VanDerWaalsContact O-N 3.12Å; H637-N641 PolarHBondContact O-ND2 2.95Å; Y638-N641 PolarHBondContact O-N 3.32Å; I639-N641 PolarHBondContact O-N 3.24Å
642H49Very low44.2Very low109 Ų109118.6 Ų118.651%0.50562%0.619SS.*Hα-helixtrans-110.1-11.7-175-66.5-68.6000115Y638Y638-H642 AromaticContact CD2-CD2 3.35Å; Y638-H642 WeakPolarHBondContact CD2-CD2 3.42Å; Y638-H642 AromaticContact CD2-NE2 3.82Å; Y638-H642 HydrophobicContact CE1-CB 4.23Å; Y638-H642 AromaticContact CE2-CD2 3.26Å; Y638-H642 WeakPolarHBondContact CE2-CD2 3.43Å; Y638-H642 AromaticContact CE2-NE2 3.59Å; Y638-H642 AromaticContact CG-CD2 3.79Å; Y638-H642 AromaticContact CZ-CD2 3.63Å; Y638-H642 WeakPolarHBondContact O-CB 3.09Å; Y638-H642 PolarHBondContact O-CD2 3.17Å; Y638-H642 PolarHBondContact O-N 3.19Å
643Y40Very low43Very low165 Ų165123.3 Ų123.365%0.64764%0.64SS**  trans-13774.2174.6-66.4-79.8000111I639 I645I639-Y643 CarbonylContact O-C 3.48Å; I639-Y643 PolarHBondContact O-N 3.44Å; Y643-I645 PolarHBondContact O-N 3.29Å; Y643-I645 VanDerWaalsContact O-N 3.17Å
644P37.8Very low41.5Very low94 Ų94128.1 Ų128.161%0.6165%0.654SS**  trans-61.8121.8166.425.9-29.9000108.3S646P644-S646 PolarHBondContact O-N 3.06Å
645I30.8Very low40.2Very low171 Ų171132.7 Ų132.788%0.87767%0.668SS**  trans-70.179.1171.2-56.4171.8000106.6Y643 G647Y643-I645 PolarHBondContact O-N 3.29Å; Y643-I645 VanDerWaalsContact O-N 3.17Å; I645-G647 PolarHBondContact O-N 3.15Å
646S32.8Very low38.7Very low106 Ų106134.8 Ų134.874%0.74168%0.684SS**  trans-85.594.6169.3-69.40000107.8P644P644-S646 PolarHBondContact O-N 3.06Å
647G32Very low37.4Very low63 Ų63137 Ų13765%0.64970%0.696SS**  trans-53.7140.8163.200000110.5I645 T649I645-G647 PolarHBondContact O-N 3.15Å; G647-T649 PolarHBondContact O-N 3.26Å
648I27.3Very low36.5Very low158 Ų158140.1 Ų140.181%0.8171%0.711SS**  trans-51.4117.5173-61.8154000109.7
649T33.1Very low35.6Very low137 Ų137140.1 Ų140.184%0.8472%0.719SS**  trans-143.9130.9144.144.60000108.9G647G647-T649 PolarHBondContact O-N 3.26Å
650D26.5Very low35.3Very low137 Ų137141.5 Ų141.573%0.73373%0.732SS**  trans-57.8150.9-171.8-70.7-51.2000115.6
651E26.5Very low35Very low161 Ų161139.4 Ų139.475%0.75273%0.725SS**  trans73.5107.6145.6-72.1178.5-178.900121
652Q26.1Very low35.1Very low167 Ų167139.4 Ų139.478%0.7873%0.729SS**  53.698.7129.8-62.3-178.60.500117.9
653H31.1Very low35Very low204 Ų204136.3 Ų136.394%0.94473%0.726SS**  trans-142.2127.7138.7-91-66.4000112.8
654H28.2Very low35.4Very low180 Ų180135.1 Ų135.183%0.83373%0.726SS**  trans-56.9147.3177.1-94.6-84.8000114.4
655Y25.5Very low35.8Very low215 Ų215134.9 Ų134.984%0.84372%0.719SS**  trans-22.2121.1156-80.6-98000115.5
656T30.3Very low36.5Very low119 Ų119131.8 Ų131.873%0.7370%0.701SS**  169.6125.6105.146.20000107.6
657N29.9Very low36.7Very low132 Ų132132.5 Ų132.571%0.70669%0.692SS**  trans179.1111.1140.8-90-16.3000110.4D659N657-D659 PolarHBondContact O-N 3.31Å
658E39.2Very low37.2Very low173 Ų173132.9 Ų132.981%0.80868%0.684SS**THydrogen-bonded Turntrans-62.711.1173.7-82.8-81.2146.900114.9
659D41.2Very low37.7Very low122 Ų122130.5 Ų130.565%0.65267%0.673SS**THydrogen-bonded Turntrans-99.7-2.8-175.1-71.3-35.4000114.8N657N657-D659 PolarHBondContact O-N 3.31Å
660T52.7Low38.1Very low116 Ų116130.2 Ų130.271%0.71266%0.662SS**Hα-helixtrans-72.7-29.7174.343.30000112.7H664T660-H664 WeakPolarHBondContact O-CB 3.43Å; T660-H664 PolarHBondContact O-N 3.49Å
661N45Very low38.4Very low104 Ų104129.2 Ų129.256%0.55666%0.656SS**Hα-helixtrans-72.8-36.9-177.2-151.8-2.4000111.7H664 I665N661-H664 PolarHBondContact O-N 3.46Å; N661-I665 WeakPolarHBondContact O-CB 3.44Å; N661-I665 WeakPolarHBondContact O-CD1 3.27Å; N661-I665 WeakPolarHBondContact O-CG1 3.45Å; N661-I665 PolarHBondContact O-N 3.13Å
662V52.7Low38.7Very low94 Ų94126.8 Ų126.857%0.5765%0.647SS**Hα-helixtrans-70.5-39.8178-174.20000111.2I665 Q666V662-I665 PolarHBondContact O-N 3.41Å; V662-Q666 WeakPolarHBondContact O-CB 3.39Å; V662-Q666 PolarHBondContact O-N 3.05Å
663G46.5Very low38.8Very low44 Ų44125.8 Ų125.845%0.45465%0.648SS.*Hα-helixtrans-65-38.6174.100000113.2Q666 H667G663-Q666 PolarHBondContact O-N 3.41Å; G663-H667 WeakPolarHBondContact O-CB 3.39Å; G663-H667 PolarHBondContact O-N 3.42Å
664H48.6Very low38.6Very low140 Ų140123.6 Ų123.665%0.64864%0.642SS**Hα-helixtrans-67.3-42176.2-123.663.5000111.9T660 N661 H667 C668T660-H664 WeakPolarHBondContact O-CB 3.43Å; T660-H664 PolarHBondContact O-N 3.49Å; N661-H664 PolarHBondContact O-N 3.46Å; H664-H667 PolarHBondContact O-N 3.07Å; H664-C668 WeakPolarHBondContact O-CB 3.44Å; H664-C668 PolarHBondContact O-N 3Å; H664-C668 PolarHBondContact O-SG 3.49Å
665I46.5Very low38.5Very low89 Ų89120.1 Ų120.146%0.45664%0.638SS.*Hα-helixtrans-66.9-39.5176.4-66165.6000110.6N661 V662 C668 L669N661-I665 WeakPolarHBondContact O-CB 3.44Å; N661-I665 WeakPolarHBondContact O-CD1 3.27Å; N661-I665 WeakPolarHBondContact O-CG1 3.45Å; N661-I665 PolarHBondContact O-N 3.13Å; V662-I665 PolarHBondContact O-N 3.41Å; I665-C668 PolarHBondContact O-N 3.03Å; I665-L669 HydrophobicContact CG2-CD1 3.86Å; I665-L669 HydrophobicContact CG2-CG 4.35Å; I665-L669 WeakPolarHBondContact O-CB 3.49Å; I665-L669 VanDerWaalsContact O-CG 3.3Å; I665-L669 WeakPolarHBondContact O-CG 3.49Å; I665-L669 PolarHBondContact O-N 3.03Å
666Q44.4Very low38.5Very low107 Ų107117.5 Ų117.550%0.564%0.638SS.*Hα-helixtrans-63.2-43.6176.7-16871.220.600111.8V662 G663 C668 L669 E670V662-Q666 WeakPolarHBondContact O-CB 3.39Å; V662-Q666 PolarHBondContact O-N 3.05Å; G663-Q666 PolarHBondContact O-N 3.41Å; Q666-C668 VanDerWaalsContact C-N 3.33Å; Q666-C668 PolarHBondContact O-N 3.34Å; Q666-L669 PolarHBondContact O-N 3.28Å; Q666-E670 PolarHBondContact O-N 3.38Å
667H37.8Very low38.3Very low120 Ų120119.9 Ų119.956%0.55664%0.641SS**Hα-helixtrans-69-30.8176.7-173.7-91.7000112.8G663 H664 N671G663-H667 WeakPolarHBondContact O-CB 3.39Å; G663-H667 PolarHBondContact O-N 3.42Å; H664-H667 PolarHBondContact O-N 3.07Å; H667-N671 PolarHBondContact CE1-ND2 2.89Å; H667-N671 VanDerWaalsContact CE1-ND2 3.31Å; H667-N671 PolarHBondContact O-ND2 3.44Å; H667-N671 VanDerWaalsContact O-ND2 3.09Å
668C42.2Very low38.1Very low72 Ų72118.9 Ų118.949%0.48664%0.642SS.*Hα-helixtrans-70.8-32.6171.3-74.60000112.4H664 I665 Q666 I672H664-C668 WeakPolarHBondContact O-CB 3.44Å; H664-C668 PolarHBondContact O-N 3Å; H664-C668 PolarHBondContact O-SG 3.49Å; I665-C668 PolarHBondContact O-N 3.03Å; Q666-C668 VanDerWaalsContact C-N 3.33Å; Q666-C668 PolarHBondContact O-N 3.34Å; C668-I672 WeakPolarHBondContact O-CD1 3.48Å; C668-I672 WeakPolarHBondContact O-CG1 3.38Å
669L38.7Very low37.5Very low108 Ų108118.5 Ų118.557%0.56565%0.645SS**Hα-helixtrans-81.2-35.3179.4-71.6172000113.1I665 Q666 N671 I672I665-L669 HydrophobicContact CG2-CD1 3.86Å; I665-L669 HydrophobicContact CG2-CG 4.35Å; I665-L669 WeakPolarHBondContact O-CB 3.49Å; I665-L669 VanDerWaalsContact O-CG 3.3Å; I665-L669 WeakPolarHBondContact O-CG 3.49Å; I665-L669 PolarHBondContact O-N 3.03Å; Q666-L669 PolarHBondContact O-N 3.28Å; L669-N671 PolarHBondContact O-N 3.44Å; L669-I672 PolarHBondContact O-N 3.25Å
670E40.6Very low36.8Very low131 Ų131120 Ų12061%0.61265%0.651SS**Hα-helixtrans-66.4-26.7176.1-88.6-176158.200113.2Q666 I672Q666-E670 PolarHBondContact O-N 3.38Å; E670-I672 VanDerWaalsContact C-N 3.34Å
671N33.8Very low35.6Very low116 Ų116123.3 Ų123.362%0.6266%0.658SS**THydrogen-bonded Turntrans-89.25.9178.2-74.2-48.7000114.3H667 L669H667-N671 PolarHBondContact CE1-ND2 2.89Å; H667-N671 VanDerWaalsContact CE1-ND2 3.31Å; H667-N671 PolarHBondContact O-ND2 3.44Å; H667-N671 VanDerWaalsContact O-ND2 3.09Å; L669-N671 PolarHBondContact O-N 3.44Å
672I30.9Very low34.7Very low109 Ų109121.8 Ų121.856%0.55967%0.667SS**  trans-106.256.7169.3-50163.7000108.4C668 L669 E670 L674C668-I672 WeakPolarHBondContact O-CD1 3.48Å; C668-I672 WeakPolarHBondContact O-CG1 3.38Å; L669-I672 PolarHBondContact O-N 3.25Å; E670-I672 VanDerWaalsContact C-N 3.34Å; I672-L674 PolarHBondContact O-N 3.12Å
673N30Very low33.2Very low147 Ų147120.8 Ų120.879%0.78668%0.676SS**  trans-83.8102.3162.3-105.1-37.1000109.1S675N673-S675 PolarHBondContact O-N 3.26Å; N673-S675 VanDerWaalsContact O-N 3.12Å
674L26.4Very low32.1Very low158 Ų158124.7 Ų124.783%0.82770%0.695SS**  trans-67.590.9166.5-71157.6000109.4I672I672-L674 PolarHBondContact O-N 3.12Å
675S26.3Very low31.1Very low106 Ų106124.2 Ų124.274%0.74171%0.707SS**  trans-136.199.8155.153.70000110.1N673 E677N673-S675 PolarHBondContact O-N 3.26Å; N673-S675 VanDerWaalsContact O-N 3.12Å; S675-E677 PolarHBondContact O-N 3.3Å
676N24.2Very low30.2Very low161 Ų161123.9 Ų123.986%0.86173%0.726SS**  trans-63.4116.6156.3-69.3-51.9000108.1
677E27.7Very low29.2Very low169 Ų169123 Ų12379%0.7975%0.746SS**  trans-144.6116.7145.3-141.3-173.6-166.300110.6S675 L679S675-E677 PolarHBondContact O-N 3.3Å; E677-L679 PolarHBondContact O-N 3.5Å
678P25.8Very low28.6Very low110 Ų110121 Ų12171%0.71476%0.758SS**  trans-87107.3176.331.7-26.7000109.3I680P678-I680 PolarHBondContact O-N 3.38Å
679L26.7Very low27.8Very low166 Ų166123.3 Ų123.387%0.86977%0.774SS**  trans-73.499.2168.8-83.9163.8000109.6E677E677-L679 PolarHBondContact O-N 3.5Å
680I26.3Very low27.4Very low152 Ų152124.1 Ų124.178%0.77979%0.788SS**  trans-70.6118.2160.3-62.8177000107.5P678P678-I680 PolarHBondContact O-N 3.38Å
681E26Very low26.7Very low186 Ų186125.7 Ų125.787%0.86980%0.797SS**  trans-164.7121.8150.2-109.5170.7-166.400106.4
682G26.5Very low26.4Very low72 Ų72124.6 Ų124.674%0.74280%0.798SS**  104.889.252.400000106.3
683G22.3Very low26.2Very low73 Ų73126.1 Ų126.175%0.75381%0.808SS**  trans-66.6147.1178.100000112.4
684C23.2Very low26.2Very low127 Ų127125.8 Ų125.886%0.85881%0.806SS**  trans63.299.8152.3-570000117.3
685S27.9Very low26.1Very low129 Ų129125.6 Ų125.690%0.90281%0.805SS**  155.3135.8104.156.40000111.6
686G26.7Very low26.1Very low83 Ų83126 Ų12686%0.85680%0.803SS**  trans120.9114.7162.700000114.5
687G24.1Very low26.3Very low89 Ų89129.2 Ų129.292%0.91881%0.805SS**  trans-65.4166.8-174.900000116.1
688G25.3Very low26Very low78 Ų78126.4 Ų126.480%0.80480%0.803SS**  trans164.298.9171.300000112.6
689S24.5Very low26.3Very low119 Ų119126.9 Ų126.983%0.83281%0.807SS**  trans-59.1131.7173.31630000113.2
690C31.1Very low26.1Very low125 Ų125124 Ų12485%0.84580%0.8SS**  trans-150.9114.7142.5570000110.6
691M24.8Very low26Very low164 Ų164122.2 Ų122.281%0.80880%0.8SS**  trans-80.2158.5169.4-65.4-170.772.500111.1
692S26.9Very low26Very low93 Ų93118.2 Ų118.265%0.6579%0.793SS**  trans79.3123.8149.8-9.20000117.5
693N27Very low25.8Very low142 Ų142120 Ų12076%0.75979%0.793SS**  -172.8146.2110.5-91.3-12.6000114.5
694N29.9Very low26Very low139 Ų139123.2 Ų123.274%0.74379%0.793SS**  trans79.9111.2152.8-55.7-25.1000118
695L25.4Very low26.3Very low155 Ų155126.3 Ų126.381%0.81279%0.792SS**  cis63.7107.547.5-73.7171.9000116
696T25Very low26Very low114 Ų114126.3 Ų126.370%0.69979%0.786SS**  trans40.3118136.329.50000120.4
697Y30.4Very low26.1Very low229 Ų229128.2 Ų128.290%0.89878%0.783SS**  trans-129.5119.2144.4-110.5-92.8000109.4
698S20.9Very low26.2Very low109 Ų109129.3 Ų129.376%0.76278%0.777SS**  trans-114.6139160.7-51.20000106.8
699P32.3Very low26.4Very low121 Ų121132.8 Ų132.879%0.78678%0.776SS**  trans-127.2136.3143.927-10.8000111.5
700S22.4Very low26.3Very low105 Ų105132.2 Ų132.273%0.73477%0.772SS**  trans-84.4171.6175.945.90000112.8
701C24.6Very low26.2Very low115 Ų115136.1 Ų136.178%0.77777%0.771SS**  trans91.4143.2159.7-57.10000116.4
702S24.8Very low26.2Very low101 Ų101137.6 Ų137.671%0.70677%0.773SS**  cis-177.4135.4-19.952.10000105.8
703C22Very low26.1Very low110 Ų110138.4 Ų138.474%0.74377%0.774SS**  trans30.4128.9141.3-490000120.6
704N28Very low26.3Very low141 Ų141138 Ų13875%0.75478%0.776SS**  168.2111.5125.2-85.6-31.7000108.2
705K27.8Very low26Very low192 Ų192137.8 Ų137.884%0.83578%0.775SS**  108.1130.775.1-96.9-176.6-178.8177.80110
706T23.1Very low26.2Very low129 Ų129138.9 Ų138.979%0.79178%0.781SS**  trans-60166.1179.347.80000114.2
707P29Very low26.3Very low122 Ų122140.8 Ų140.879%0.79279%0.786SS**  -137.9135.3116.433.4-18.9000114.2
708S24.2Very low26.2Very low112 Ų112139.2 Ų139.278%0.78379%0.786SS**  trans-68.1139.7165.848.90000112.5
709L30.3Very low26.4Very low151 Ų151139 Ų13979%0.79179%0.785SS**  trans-133.8124.4162.5-111.1133.9000109.6Y711L709-Y711 HydrophobicContact CD2-CE2 4.03Å
710S23.4Very low26.6Very low107 Ų107138.5 Ų138.575%0.74878%0.782SS**  trans-109.8138.8-174.950.30000110.8
711Y29.1Very low26.7Very low207 Ų207138.9 Ų138.981%0.81278%0.78SS**  trans-139.2114159.8-72.2-84000104.9L709L709-Y711 HydrophobicContact CD2-CE2 4.03Å
712K23.9Very low26.7Very low195 Ų195140.4 Ų140.485%0.84878%0.78SS**  47.8126.779.6-77.9-170-179.9-177.60111.6
713T24.2Very low26.6Very low110 Ų110142.1 Ų142.168%0.67579%0.79SS**  cis-165.4157.310.2-57.60000102.8
714V31.6Very low26.7Very low134 Ų134142.6 Ų142.681%0.81280%0.795SS**  -176.1138.681.6-164.20000108.9
715D23.8Very low27.1Very low135 Ų135140.5 Ų140.572%0.72279%0.789SS**  trans-66.3141.7176.8-58.2-66.8000114.3
716L30.5Very low26.9Very low177 Ų177138.3 Ų138.393%0.92779%0.786SS**  trans-133.6119.9145.6-110.2102.9000109.2
717L26.7Very low27.3Very low155 Ų155137.9 Ų137.981%0.81279%0.788SS**  trans-74.5124.9178.2-69.8162.4000110.8
718H28.7Very low27Very low195 Ų195139.3 Ų139.390%0.90379%0.79SS**  trans-155.7113.9141.1-101.4-67.4000109.3
719S24.5Very low27.4Very low104 Ų104142 Ų14273%0.72779%0.794SS**  trans-101.5176.2169.5-75.90000109
720P35.2Very low27.1Very low112 Ų112141.2 Ų141.273%0.72779%0.791SS**  cis-134.5-173.1-30.825.1-2.6000111.8
721V25.7Very low27.5Very low113 Ų113144.2 Ų144.269%0.68580%0.797SS**  trans130.4120.6135.2-179.20000114.5
722N24.5Very low27.5Very low147 Ų147140.1 Ų140.179%0.78679%0.794SS**  trans80.380.8160.3-67.3-11.7000119.6
723C21.7Very low28Very low137 Ų137136.4 Ų136.493%0.92679%0.793SS**  trans-144.5121.7135.9-88.80000108.9
724S25.8Very low28.1Very low119 Ų119137.8 Ų137.883%0.83280%0.796SS**  trans-150.2155.3-178.6-120.50000107.8
725P36.1Very low28.1Very low98 Ų98142.7 Ų142.764%0.63680%0.8SS**  -132.4-176.3-94.833.2-14.4000113.4
726N23.3Very low28.5Very low146 Ų146147.1 Ų147.178%0.78181%0.807SS**  trans79.6115156.3-57.9-26.9000118.3
727S31.3Very low28.6Very low119 Ų119145.6 Ų145.683%0.83280%0.799SS**  -174.7117.996.134.90000111
728N22.9Very low28.8Very low153 Ų153142.9 Ų142.982%0.81879%0.793SS**  trans-63.1138.9159.3-69.1-46.6000109.5
729L32.3Very low29Very low167 Ų167141.3 Ų141.387%0.87479%0.79SS**  trans-158101.5146.3-109.2153.8000109.7
730D25.1Very low29.4Very low136 Ų136141.3 Ų141.373%0.72779%0.789SS**  trans-51.6143.1161-77.3-54.8000112.4
731L31.3Very low29Very low169 Ų169142.9 Ų142.989%0.88580%0.796SS**  trans-154.693.5145.6-105.7139.8000110.2
732T28.1Very low29.2Very low121 Ų121142.6 Ų142.674%0.74280%0.799SS**  trans-65136.4158.655.30000110.7
733S34.9Very low29.4Very low117 Ų117147.2 Ų147.282%0.81881%0.806SS**  -175.3139.5122.770.30000113.4
734N27.1Very low30Very low140 Ų140150.4 Ų150.475%0.74981%0.805SS**  trans-50.5139.9171.9-74.2-63.4000115.2
735R31.6Very low30.5Very low237 Ų237153.2 Ų153.289%0.89481%0.807SS**  trans-140.5105.1138.1-88.9-162.2-177.9-157.41.8111.7
736R31.4Very low30.2Very low228 Ų228158.4 Ų158.486%0.8682%0.819SS**  trans-64.9125.2156.8-66.7174.4178.3139.7-0.9108.3
737N33.2Very low30.7Very low144 Ų144156.7 Ų156.777%0.7782%0.819SS**  trans-111.398.9160.3-89.8-7000108.7
738S29.6Very low30.9Very low98 Ų98155.5 Ų155.569%0.68582%0.816SS**  trans-84.1123.5161.5137.90000107.3
739I34.1Very low31.5Very low162 Ų162157 Ų15783%0.83182%0.818SS**  trans-124.8122.1163.7-66.5178.3000108.3
740C32.4Very low31.6Very low105 Ų105158.1 Ų158.171%0.70982%0.816SS**  trans-71.5150.4-168.7-64.40000114.4
741T26.6Very low32.2Very low144 Ų144157.5 Ų157.588%0.88382%0.819SS**  trans-63.8129.6159.742.60000111
742S30.9Very low32.6Very low107 Ų107155.8 Ų155.875%0.74882%0.816SS**  trans-113.111416657.60000109.9
743R28.3Very low32.8Very low245 Ų245159.8 Ų159.893%0.92582%0.823SS**  trans-67.5127.8165.9-73.2173.3178.4159.4-1108.4
744F34.2Very low32.9Very low204 Ų204159.3 Ų159.390%0.89582%0.819SS**  trans-111.1131.5160.3-110.3-89.9000110.7
745M34.9Very low33.2Very low178 Ų178159.4 Ų159.488%0.87782%0.824SS**  trans-71.3147.9-168.1-85.4-85.1-179.600113.9
746K30.7Very low33.8Very low206 Ų206159.5 Ų159.590%0.89684%0.841SS**  trans-52.3127.2169.5-70.3169.5173.4175.20112.1
747S34.1Very low33.9Very low110 Ų110156.1 Ų156.177%0.76984%0.84SS**  trans-95.5110.8156.862.30000109.2
748A34.7Very low34Very low95 Ų95156.7 Ų156.779%0.78584%0.844SS**  trans-94.698.7171.100000108.4K750A748-K750 PolarHBondContact O-N 3.19Å
749H36.4Very low34.2Very low184 Ų184159.9 Ų159.985%0.85285%0.853SS**  trans-82.2107.2167.2-96-62.7000109.6
750K33.7Very low34.2Very low190 Ų190159.8 Ų159.883%0.82685%0.854SS**  trans-69.8143.8166.6-83.2180174.3178.20110.4A748A748-K750 PolarHBondContact O-N 3.19Å
751P37.9Very low34.4Very low123 Ų123163.3 Ų163.380%0.79986%0.863SS**  trans-84.7127.6179.532.9-30.8000111.1K753P751-K753 PolarHBondContact O-N 3.24Å
752V39.3Very low34.9Very low134 Ų134164.5 Ų164.581%0.81286%0.862SS**  trans-85.7106.4169.1178.20000107.8
753K32.2Very low35.2Very low205 Ų205168.6 Ų168.689%0.89187%0.87SS**  trans-82.3117.2157.7-80.6-178.7174.8-179.40107.3P751P751-K753 PolarHBondContact O-N 3.24Å
754S38.3Very low35.7Very low107 Ų107162.8 Ų162.875%0.74887%0.866SS**  trans-131.8116.1158.559.10000108.5
755V32Very low35.8Very low141 Ų141159.3 Ų159.386%0.85586%0.863SS**  trans-71.1127.3171.7170.60000108.7
756L45.5Very low35.9Very low239 Ų239157.6 Ų157.6100%1.25186%0.862SS**  trans-167.50137.7-102.8163.6000109

Retrieved 756 of 756 residues in 433.2 ms (Link to these results)

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