G4VIP4_SCHMA Loading...

Putative es2 protein

AlphaFold DB , UniProt , Accession G4VIP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 442 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
1M48.1Very low75.5Confident141 Ų14183.8 Ų83.870%0.69544%0.437SS*.  01370-62.2-51.8-153.700107.7K7M1-K7 HydrophobicContact CE-CB 3.98Å; M1-K7 HydrophobicContact CE-CD 4.14Å
2D58.6Low76.6Confident98 Ų9889.5 Ų89.552%0.52448%0.477SS..  trans-64.3141.6160.3-61-31.8000107.4V4 S5 R120D2-V4 PolarHBondContact O-N 3.42Å; D2-S5 PolarHBondContact O-N 3.12Å; D2-S5 VanDerWaalsContact O-N 3.1Å; D2-R120 IonicContact OD2-CZ 3.91Å; D2-R120 IonicContact OD2-NH2 2.8Å; D2-R120 PolarHBondContact OD2-NH2 2.72Å
3Q55.1Low77.4Confident157 Ų15789.8 Ų89.873%0.73449%0.491SS*.THydrogen-bonded Turntrans-63.7-1.8-168.3-68.7-177.5-6.800115.6F21Q3-F21 WeakPolarHBondContact O-CD1 3.45Å
4V60.5Low78.1Confident140 Ų14087.2 Ų87.285%0.84850%0.495SS*.THydrogen-bonded Turntrans-123.6-9.7-175.8-168.70000111.7D2D2-V4 PolarHBondContact O-N 3.42Å
5S73.6Confident78.7Confident19 Ų1993.1 Ų93.113%0.13351%0.506CS..  trans-86.8116.7-173-167.50000111.2D2D2-S5 PolarHBondContact O-N 3.12Å; D2-S5 VanDerWaalsContact O-N 3.1Å
6S85Confident79.5Confident37 Ų3790.6 Ų90.626%0.25949%0.489SS..  trans-80.8151.7165.454.90000110.5I19S6-I19 CarbonylContact C-O 3.58Å; S6-I19 VanDerWaalsContact CA-O 3.3Å; S6-I19 WeakPolarHBondContact CA-O 3.36Å
7K89.5Confident80.3Confident67 Ų6789 Ų8929%0.29148%0.476SS..EExtended strand (participates in β ladder)trans-148.3133.4-179.1-175.7167.2-175.8100.90112.3M1 I9 I19 E113M1-K7 HydrophobicContact CE-CB 3.98Å; M1-K7 HydrophobicContact CE-CD 4.14Å; K7-I9 HydrophobicContact CG-CG1 4.4Å; K7-I19 PolarHBondContact N-O 3.09Å; K7-I19 PolarHBondContact O-N 3.45Å; K7-E113 IonicContact NZ-OE1 2.69Å; K7-E113 PolarHBondContact NZ-OE1 3.19Å; K7-E113 IonicContact NZ-OE2 3.61Å; K7-E113 PolarHBondContact NZ-OE2 2.82Å
8V91Very high80.9Confident16 Ų1684.8 Ų84.810%0.09745%0.454CS..EExtended strand (participates in β ladder)trans-80.4134.1170.7-177.80000109.9K16 K17 L18 A106 A109 E110V8-K16 HydrophobicContact CG1-CB 4.22Å; V8-K16 HydrophobicContact CG1-CG 4.28Å; V8-K17 WeakPolarHBondContact CA-O 3.36Å; V8-L18 HydrophobicContact CG2-CD1 3.89Å; V8-A106 HydrophobicContact CG2-CB 3.96Å; V8-A106 WeakPolarHBondContact CG2-O 3.32Å; V8-A109 HydrophobicContact CG2-CB 4.49Å; V8-E110 HydrophobicContact CB-CG 4.02Å; V8-E110 HydrophobicContact CG2-CG 3.79Å
9I90.8Very high81.5Confident73 Ų7382.2 Ų82.237%0.37444%0.439SS..EExtended strand (participates in β ladder)trans-129.6143.8174.5-57.4-165.1000108.3K7 K17 I19K7-I9 HydrophobicContact CG-CG1 4.4Å; I9-K17 PolarHBondContact N-O 2.88Å; I9-K17 PolarHBondContact O-N 3.4Å; I9-I19 HydrophobicContact CD1-CD1 3.63Å; I9-I19 HydrophobicContact CD1-CG1 4.31Å; I9-I19 HydrophobicContact CG1-CD1 4.16Å; I9-I19 HydrophobicContact CG1-CG1 4.34Å
10H90.7Very high81.8Confident117 Ų11779.3 Ų79.354%0.54243%0.426SS..EExtended strand (participates in β ladder)trans-91.5132175.7-66.970.2000109.8
11D88.1Confident82Confident57 Ų5779 Ų7931%0.30542%0.421SS..  trans-74.3165.2177.5-159.221.4000111.8S13 G14 R15 K17D11-S13 PolarHBondContact O-N 2.99Å; D11-S13 VanDerWaalsContact O-N 3.16Å; D11-G14 WeakPolarHBondContact O-CA 3.26Å; D11-G14 PolarHBondContact O-N 3.09Å; D11-R15 HydrophobicContact CB-CB 4.49Å; D11-R15 WeakPolarHBondContact CB-O 3.49Å; D11-R15 PolarHBondContact N-O 3.13Å; D11-K17 HydrophobicContact CB-CD 4.17Å; D11-K17 VanDerWaalsContact CG-CE 3.46Å; D11-K17 IonicContact OD1-NZ 2.9Å; D11-K17 PolarHBondContact OD1-NZ 3.01Å; D11-K17 WeakPolarHBondContact OD2-CE 3.46Å; D11-K17 IonicContact OD2-NZ 3.87Å; D11-K17 PolarHBondContact OD2-NZ 2.78Å
12V88.3Confident83.7Confident152 Ų15274.2 Ų74.292%0.92140%0.398SS*.THydrogen-bonded Turntrans-59.1-29.4175.3-174.70000111.5G14V12-G14 VanDerWaalsContact C-N 3.27Å; V12-G14 PolarHBondContact O-N 3.43Å
13S87.5Confident84.7Confident94 Ų9474.6 Ų74.666%0.65741%0.406SS*.THydrogen-bonded Turntrans-84.114.1173.9-50.20000114.2D11 R15D11-S13 PolarHBondContact O-N 2.99Å; D11-S13 VanDerWaalsContact O-N 3.16Å; S13-R15 PolarHBondContact O-N 3.15Å; S13-R15 VanDerWaalsContact O-N 3.13Å
14G86.6Confident85.9Confident53 Ų5374.8 Ų74.855%0.54641%0.41SS..SBendtrans75.6-10.2178.700000116.3D11 V12D11-G14 WeakPolarHBondContact O-CA 3.26Å; D11-G14 PolarHBondContact O-N 3.09Å; V12-G14 VanDerWaalsContact C-N 3.27Å; V12-G14 PolarHBondContact O-N 3.43Å
15R86.8Confident86.8Confident176 Ų17673 Ų7366%0.66439%0.393SS*.  trans-70.2137.3-179.2-63.4-175.6179.9-172.7-2.8111.7D11 S13D11-R15 HydrophobicContact CB-CB 4.49Å; D11-R15 WeakPolarHBondContact CB-O 3.49Å; D11-R15 PolarHBondContact N-O 3.13Å; S13-R15 PolarHBondContact O-N 3.15Å; S13-R15 VanDerWaalsContact O-N 3.13Å
16K92.1Very high87.2Confident53 Ų5374.7 Ų74.723%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-66.2137.7170.7-70.9178.2-179.6-1800110.6V8 V33 E103V8-K16 HydrophobicContact CG1-CB 4.22Å; V8-K16 HydrophobicContact CG1-CG 4.28Å; K16-V33 HydrophobicContact CB-CB 3.72Å; K16-V33 HydrophobicContact CB-CG1 4.25Å; K16-V33 HydrophobicContact CB-CG2 3.8Å; K16-V33 HydrophobicContact CD-CG1 4.48Å; K16-V33 PolarHBondContact O-N 3.19Å; K16-V33 VanDerWaalsContact O-N 3.1Å; K16-E103 IonicContact NZ-OE1 3.71Å; K16-E103 PolarHBondContact NZ-OE1 2.92Å
17K92.6Very high87.2Confident63 Ų6379.8 Ų79.827%0.27443%0.427SS..EExtended strand (participates in β ladder)trans-130.5129171.5-73.2178.6178.5167.90109.5V8 I9 D11 Q31 T32V8-K17 WeakPolarHBondContact CA-O 3.36Å; I9-K17 PolarHBondContact N-O 2.88Å; I9-K17 PolarHBondContact O-N 3.4Å; D11-K17 HydrophobicContact CB-CD 4.17Å; D11-K17 VanDerWaalsContact CG-CE 3.46Å; D11-K17 IonicContact OD1-NZ 2.9Å; D11-K17 PolarHBondContact OD1-NZ 3.01Å; D11-K17 WeakPolarHBondContact OD2-CE 3.46Å; D11-K17 IonicContact OD2-NZ 3.87Å; D11-K17 PolarHBondContact OD2-NZ 2.78Å; K17-Q31 CarbonylContact C-O 3.6Å; K17-Q31 VanDerWaalsContact CA-O 3.27Å; K17-Q31 WeakPolarHBondContact CA-O 3.24Å; K17-T32 HydrophobicContact CG-CG2 4.1Å
18L91.6Very high87.1Confident13 Ų1381.7 Ų81.77%0.06844%0.439CS..EExtended strand (participates in β ladder)trans-87.1125.1172.5-175.763.5000108.9V8 T30 Q31 V33 T101 A109V8-L18 HydrophobicContact CG2-CD1 3.89Å; L18-T30 WeakPolarHBondContact O-CA 3.47Å; L18-Q31 PolarHBondContact N-O 2.83Å; L18-Q31 PolarHBondContact O-N 3.24Å; L18-V33 HydrophobicContact CB-CG2 4.23Å; L18-T101 HydrophobicContact CB-CG2 3.9Å; L18-T101 HydrophobicContact CD2-CG2 3.96Å; L18-A109 HydrophobicContact CD1-CB 3.68Å
19I91.8Very high86.9Confident35 Ų3582.1 Ų82.118%0.17944%0.442CS..EExtended strand (participates in β ladder)trans-104.3121.9171.5-55-159.4000108.3S6 K7 I9 I28 T29 T30S6-I19 CarbonylContact C-O 3.58Å; S6-I19 VanDerWaalsContact CA-O 3.3Å; S6-I19 WeakPolarHBondContact CA-O 3.36Å; K7-I19 PolarHBondContact N-O 3.09Å; K7-I19 PolarHBondContact O-N 3.45Å; I9-I19 HydrophobicContact CD1-CD1 3.63Å; I9-I19 HydrophobicContact CD1-CG1 4.31Å; I9-I19 HydrophobicContact CG1-CD1 4.16Å; I9-I19 HydrophobicContact CG1-CG1 4.34Å; I19-I28 HydrophobicContact CG2-CG2 3.33Å; I19-T29 WeakPolarHBondContact CA-O 3.41Å; I19-T30 HydrophobicContact CD1-CG2 4.15Å; I19-T30 HydrophobicContact CG1-CG2 4.11Å; I19-T30 HydrophobicContact CG2-CG2 4.48Å
20S88.1Confident86.9Confident25 Ų2582.8 Ų82.818%0.17545%0.45CS..EExtended strand (participates in β ladder)trans-124.9153.3-178.953.30000110.2I28 T29S20-I28 CarbonylContact O-C 3.49Å; S20-I28 WeakPolarHBondContact O-CA 3.46Å; S20-T29 PolarHBondContact N-O 3.2Å; S20-T29 PolarHBondContact O-N 3.33Å; S20-T29 PolarHBondContact O-OG1 2.96Å; S20-T29 PolarHBondContact OG-O 2.91Å; S20-T29 PolarHBondContact OG-OG1 3.08Å
21F86.5Confident86.9Confident72 Ų7279 Ų7932%0.31643%0.432SS..EExtended strand (participates in β ladder)trans-97.7125.1166.8-178.6-103.4000108.8Q3 P23 I28Q3-F21 WeakPolarHBondContact O-CD1 3.45Å; F21-P23 HydrophobicContact CD1-CB 4.48Å; F21-P23 HydrophobicContact CE1-CB 4.26Å; F21-P23 VanDerWaalsContact O-CD 3.28Å; F21-P23 WeakPolarHBondContact O-CD 3.4Å; F21-I28 HydrophobicContact CD2-CG1 4.21Å
22N83Confident87.2Confident42 Ų4278.5 Ų78.523%0.22543%0.431CS..EExtended strand (participates in β ladder)trans-93.2105.7175.9-174-49.1000109.2I24 Q25 G26 R27 T29N22-I24 VanDerWaalsContact C-N 3.27Å; N22-I24 PolarHBondContact O-N 2.88Å; N22-I24 WeakPolarHBondContact OD1-CB 3.44Å; N22-I24 PolarHBondContact OD1-N 2.87Å; N22-I24 VanDerWaalsContact OD1-N 3.11Å; N22-Q25 HydrophobicContact CB-CB 4.28Å; N22-Q25 PolarHBondContact O-N 3.49Å; N22-Q25 PolarHBondContact OD1-N 2.83Å; N22-G26 PolarHBondContact O-N 2.87Å; N22-R27 PolarHBondContact N-O 2.91Å; N22-R27 PolarHBondContact O-N 3.42Å; N22-T29 HydrophobicContact CB-CG2 4.17Å
23P80.7Confident87.4Confident106 Ų10672.2 Ų72.269%0.68839%0.393SS*.THydrogen-bonded Turntrans-70-23.1-174.629.1-36.1000113.3F21F21-P23 HydrophobicContact CD1-CB 4.48Å; F21-P23 HydrophobicContact CE1-CB 4.26Å; F21-P23 VanDerWaalsContact O-CD 3.28Å; F21-P23 WeakPolarHBondContact O-CD 3.4Å
24I79.1Confident87.6Confident161 Ų16169.2 Ų69.283%0.82637%0.367SS*.THydrogen-bonded Turntrans-74-38.4177.8-54.3174.8000110.2N22N22-I24 VanDerWaalsContact C-N 3.27Å; N22-I24 PolarHBondContact O-N 2.88Å; N22-I24 WeakPolarHBondContact OD1-CB 3.44Å; N22-I24 PolarHBondContact OD1-N 2.87Å; N22-I24 VanDerWaalsContact OD1-N 3.11Å
25Q78.8Confident87.9Confident102 Ų10271.4 Ų71.448%0.47737%0.367SS..THydrogen-bonded Turntrans-96.8-3.1-177.2-63.1178.7-7.800113.4N22 R27N22-Q25 HydrophobicContact CB-CB 4.28Å; N22-Q25 PolarHBondContact O-N 3.49Å; N22-Q25 PolarHBondContact OD1-N 2.83Å; Q25-R27 HydrophobicContact CB-CG 3.85Å; Q25-R27 PolarHBondContact O-N 2.8Å; Q25-R27 VanDerWaalsContact O-N 3.09Å; Q25-R27 VanDerWaalsContact OE1-CZ 3.22Å
26G82.4Confident88.2Confident55 Ų5568.7 Ų68.757%0.56736%0.361SS*.THydrogen-bonded Turntrans60.916.2-179.800000114.9N22N22-G26 PolarHBondContact O-N 2.87Å
27R85.5Confident88.3Confident144 Ų14473.3 Ų73.354%0.54338%0.384SS..EExtended strand (participates in β ladder)trans-128.8156-169.772.4-178.8177.51610.6112.5N22 Q25N22-R27 PolarHBondContact N-O 2.91Å; N22-R27 PolarHBondContact O-N 3.42Å; Q25-R27 HydrophobicContact CB-CG 3.85Å; Q25-R27 PolarHBondContact O-N 2.8Å; Q25-R27 VanDerWaalsContact O-N 3.09Å; Q25-R27 VanDerWaalsContact OE1-CZ 3.22Å
28I86.2Confident88.3Confident106 Ų10673.9 Ų73.954%0.54439%0.387SS..EExtended strand (participates in β ladder)trans-77131.2169.6-61.4174.8000108.5I19 S20 F21I19-I28 HydrophobicContact CG2-CG2 3.33Å; S20-I28 CarbonylContact O-C 3.49Å; S20-I28 WeakPolarHBondContact O-CA 3.46Å; F21-I28 HydrophobicContact CD2-CG1 4.21Å
29T87.8Confident88.4Confident26 Ų2674.5 Ų74.516%0.1639%0.389CS..EExtended strand (participates in β ladder)trans-111.1142.1175.734.30000109.9I19 S20 N22I19-T29 WeakPolarHBondContact CA-O 3.41Å; S20-T29 PolarHBondContact N-O 3.2Å; S20-T29 PolarHBondContact O-N 3.33Å; S20-T29 PolarHBondContact O-OG1 2.96Å; S20-T29 PolarHBondContact OG-O 2.91Å; S20-T29 PolarHBondContact OG-OG1 3.08Å; N22-T29 HydrophobicContact CB-CG2 4.17Å
30T90.7Very high88.5Confident87 Ų8778.1 Ų78.153%0.53441%0.406SS..EExtended strand (participates in β ladder)trans-126.1112.5-178.158.90000109.7L18 I19L18-T30 WeakPolarHBondContact O-CA 3.47Å; I19-T30 HydrophobicContact CD1-CG2 4.15Å; I19-T30 HydrophobicContact CG1-CG2 4.11Å; I19-T30 HydrophobicContact CG2-CG2 4.48Å
31Q91.7Very high88.7Confident37 Ų3782 Ų8217%0.17342%0.422CS..EExtended strand (participates in β ladder)trans-105.3139.1178.8-71.6159.6-81.600110.2K17 L18 M97 A98 N99 N100 T101K17-Q31 CarbonylContact C-O 3.6Å; K17-Q31 VanDerWaalsContact CA-O 3.27Å; K17-Q31 WeakPolarHBondContact CA-O 3.24Å; L18-Q31 PolarHBondContact N-O 2.83Å; L18-Q31 PolarHBondContact O-N 3.24Å; Q31-M97 PolarHBondContact NE2-O 3.31Å; Q31-A98 WeakPolarHBondContact CG-O 3.25Å; Q31-N99 CarbonylContact C-O 3.57Å; Q31-N99 VanDerWaalsContact CA-O 3.3Å; Q31-N99 WeakPolarHBondContact CA-O 3.34Å; Q31-N100 PolarHBondContact NE2-O 2.95Å; Q31-T101 HydrophobicContact CB-CG2 4.17Å
32T92.7Very high89.1Confident46 Ų4679.6 Ų79.628%0.28241%0.411SS..EExtended strand (participates in β ladder)trans-75.2128.216627.70000109.9K17 N99 N100 T101K17-T32 HydrophobicContact CG-CG2 4.1Å; T32-N99 PolarHBondContact N-O 2.73Å; T32-N99 PolarHBondContact OG1-O 3.47Å; T32-N99 VanDerWaalsContact OG1-O 3.11Å; T32-N100 CarbonylContact O-C 3.54Å; T32-N100 VanDerWaalsContact O-CA 3.28Å; T32-N100 WeakPolarHBondContact O-CA 3.3Å; T32-N100 PolarHBondContact OG1-OD1 2.81Å; T32-T101 PolarHBondContact O-N 3.44Å
33V93.5Very high89.5Confident21 Ų2179.1 Ų79.113%0.12741%0.409CS..EExtended strand (participates in β ladder)trans-77.1139.5174.9-176.90000108.6K16 L18 T101 E103 A106K16-V33 HydrophobicContact CB-CB 3.72Å; K16-V33 HydrophobicContact CB-CG1 4.25Å; K16-V33 HydrophobicContact CB-CG2 3.8Å; K16-V33 HydrophobicContact CD-CG1 4.48Å; K16-V33 PolarHBondContact O-N 3.19Å; K16-V33 VanDerWaalsContact O-N 3.1Å; L18-V33 HydrophobicContact CB-CG2 4.23Å; V33-T101 WeakPolarHBondContact CA-O 3.3Å; V33-T101 HydrophobicContact CB-CG2 4.4Å; V33-T101 HydrophobicContact CG2-CG2 3.88Å; V33-E103 HydrophobicContact CG1-CB 4.16Å; V33-A106 HydrophobicContact CB-CB 4.39Å; V33-A106 HydrophobicContact CG1-CB 3.72Å; V33-A106 HydrophobicContact CG2-CB 3.69Å
34R91.7Very high90Very high30 Ų3075.7 Ų75.711%0.11339%0.393CS..EExtended strand (participates in β ladder)trans-131.6149.1174.4-80-174.7162.1118.614.9111.1E38 P88 Y96 N100 T101 T102 E103R34-E38 WeakPolarHBondContact CD-OE1 3.5Å; R34-E38 IonicContact CZ-OE1 2.76Å; R34-E38 IonicContact NE-OE1 2.68Å; R34-E38 PolarHBondContact NE-OE1 3.29Å; R34-E38 IonicContact NE-OE2 2.77Å; R34-E38 IonicContact NH2-OE1 3.9Å; R34-P88 VanDerWaalsContact NH2-CB 3.35Å; R34-Y96 PolarHBondContact NH1-OH 2.86Å; R34-N100 PolarHBondContact NH1-ND2 2.98Å; R34-N100 PolarHBondContact NH1-OD1 3.26Å; R34-T101 PolarHBondContact N-O 3.06Å; R34-T102 CarbonylContact O-C 3.36Å; R34-T102 WeakPolarHBondContact O-CA 3.38Å; R34-E103 PolarHBondContact O-N 3.15Å
35D93.5Very high90.6Very high100 Ų10072 Ų7254%0.53537%0.371SS..  trans-51.9145.3166-51.415.1000109.6E37 E38 Y39D35-E37 PolarHBondContact O-N 3.49Å; D35-E38 HydrophobicContact CB-CB 4.29Å; D35-E38 PolarHBondContact O-N 3.04Å; D35-Y39 WeakPolarHBondContact O-CB 3.33Å; D35-Y39 PolarHBondContact O-N 3.3Å
36E93.1Very high91.1Very high119 Ų11967.2 Ų67.256%0.55635%0.349SS*.Hα-helixtrans-60.5-45-170.7-170.2-176.8155.700111.6Y39 M40E36-Y39 PolarHBondContact O-N 3.11Å; E36-M40 HydrophobicContact CG-CG 4.47Å; E36-M40 WeakPolarHBondContact O-CB 3.46Å; E36-M40 VanDerWaalsContact O-CG 3.3Å; E36-M40 WeakPolarHBondContact O-CG 3.32Å; E36-M40 PolarHBondContact O-N 3.11Å
37E93.8Very high91.5Very high149 Ų14967.2 Ų67.270%0.69634%0.335SS*.Hα-helixtrans-65.7-40.7178.2-62.187.8162.800112.3D35 Y39 M40 E41D35-E37 PolarHBondContact O-N 3.49Å; E37-Y39 VanDerWaalsContact C-N 3.35Å; E37-M40 PolarHBondContact O-N 3.27Å; E37-E41 VanDerWaalsContact O-CB 3.27Å; E37-E41 WeakPolarHBondContact O-CB 3.48Å; E37-E41 PolarHBondContact O-N 3.41Å
38E92.7Very high91.6Very high75 Ų7562.2 Ų62.235%0.3532%0.318SS..Hα-helixtrans-63.5-42.9175.3-166.6-154.8152.800110.4R34 D35 H42R34-E38 WeakPolarHBondContact CD-OE1 3.5Å; R34-E38 IonicContact CZ-OE1 2.76Å; R34-E38 IonicContact NE-OE1 2.68Å; R34-E38 PolarHBondContact NE-OE1 3.29Å; R34-E38 IonicContact NE-OE2 2.77Å; R34-E38 IonicContact NH2-OE1 3.9Å; D35-E38 HydrophobicContact CB-CB 4.29Å; D35-E38 PolarHBondContact O-N 3.04Å; E38-H42 VanDerWaalsContact CG-CE1 3.5Å; E38-H42 WeakPolarHBondContact CG-CE1 3.31Å; E38-H42 WeakPolarHBondContact O-CB 3.48Å; E38-H42 VanDerWaalsContact O-CG 3.28Å; E38-H42 PolarHBondContact O-N 3.04Å; E38-H42 VanDerWaalsContact O-N 3.16Å; E38-H42 PolarHBondContact O-ND1 2.89Å; E38-H42 VanDerWaalsContact O-ND1 3.1Å; E38-H42 IonicContact OE1-CE1 2.7Å; E38-H42 PolarHBondContact OE1-CE1 2.73Å; E38-H42 IonicContact OE1-ND1 2.6Å
39Y93.8Very high91.5Very high27 Ų2761.6 Ų61.611%0.10631%0.309CS..Hα-helixtrans-64-46.1178.3-177.6-91.1000111.5D35 E36 E37 L43 Y96 N100 T102D35-Y39 WeakPolarHBondContact O-CB 3.33Å; D35-Y39 PolarHBondContact O-N 3.3Å; E36-Y39 PolarHBondContact O-N 3.11Å; E37-Y39 VanDerWaalsContact C-N 3.35Å; Y39-L43 HydrophobicContact CE1-CD2 4.04Å; Y39-L43 WeakPolarHBondContact O-CB 3.36Å; Y39-L43 PolarHBondContact O-N 2.76Å; Y39-Y96 AromaticContact CD2-CE1 3.83Å; Y39-Y96 HydrophobicContact CD2-CE1 3.83Å; Y39-Y96 HydrophobicContact CE2-CD1 4.32Å; Y39-Y96 AromaticContact CE2-CE1 3.53Å; Y39-Y96 HydrophobicContact CE2-CE1 3.53Å; Y39-N100 HydrophobicContact CD2-CB 4.21Å; Y39-N100 HydrophobicContact CE2-CB 3.99Å; Y39-T102 HydrophobicContact CD1-CG2 3.69Å; Y39-T102 HydrophobicContact CE1-CG2 4.11Å; Y39-T102 HydrophobicContact CG-CG2 3.93Å
40M93.5Very high91.4Very high110 Ų11061.8 Ų61.854%0.54231%0.309SS..Hα-helixtrans-69-40-179.3-76.3-68-7500113E36 E37 L43 G44E36-M40 HydrophobicContact CG-CG 4.47Å; E36-M40 WeakPolarHBondContact O-CB 3.46Å; E36-M40 VanDerWaalsContact O-CG 3.3Å; E36-M40 WeakPolarHBondContact O-CG 3.32Å; E36-M40 PolarHBondContact O-N 3.11Å; E37-M40 PolarHBondContact O-N 3.27Å; M40-L43 PolarHBondContact O-N 2.85Å; M40-L43 HydrophobicContact SD-CD2 4.21Å; M40-G44 PolarHBondContact O-N 3.28Å
41E93.1Very high91.2Very high108 Ų10862.5 Ų62.551%0.50531%0.305SS..Hα-helixtrans-65.2-44.7177.3-162.5-152.8-170.300111E37 G44 K45E37-E41 VanDerWaalsContact O-CB 3.27Å; E37-E41 WeakPolarHBondContact O-CB 3.48Å; E37-E41 PolarHBondContact O-N 3.41Å; E41-G44 PolarHBondContact O-N 3.17Å; E41-K45 VanDerWaalsContact CD-CE 3.44Å; E41-K45 HydrophobicContact CG-CD 4.41Å; E41-K45 VanDerWaalsContact O-CG 3.31Å; E41-K45 WeakPolarHBondContact O-CG 3.42Å; E41-K45 PolarHBondContact O-N 3.04Å; E41-K45 WeakPolarHBondContact OE1-CE 3.37Å; E41-K45 IonicContact OE1-NZ 2.69Å; E41-K45 PolarHBondContact OE1-NZ 3.39Å; E41-K45 IonicContact OE2-NZ 2.63Å; E41-K45 PolarHBondContact OE2-NZ 3.4Å
42H93.1Very high90.8Very high20 Ų2065.9 Ų65.99%0.09332%0.319CS..Hα-helixtrans-64.1-42.9174.5-72.2148.6000112.7E38 G44 K45 I46 P88 T89 Y96E38-H42 VanDerWaalsContact CG-CE1 3.5Å; E38-H42 WeakPolarHBondContact CG-CE1 3.31Å; E38-H42 WeakPolarHBondContact O-CB 3.48Å; E38-H42 VanDerWaalsContact O-CG 3.28Å; E38-H42 PolarHBondContact O-N 3.04Å; E38-H42 VanDerWaalsContact O-N 3.16Å; E38-H42 PolarHBondContact O-ND1 2.89Å; E38-H42 VanDerWaalsContact O-ND1 3.1Å; E38-H42 IonicContact OE1-CE1 2.7Å; E38-H42 PolarHBondContact OE1-CE1 2.73Å; E38-H42 IonicContact OE1-ND1 2.6Å; H42-G44 VanDerWaalsContact C-N 3.33Å; H42-G44 PolarHBondContact O-N 2.84Å; H42-K45 PolarHBondContact O-N 2.99Å; H42-I46 VanDerWaalsContact O-CG1 3.28Å; H42-I46 WeakPolarHBondContact O-CG1 3.42Å; H42-I46 PolarHBondContact O-N 3.27Å; H42-P88 VanDerWaalsContact CE1-CG 3.49Å; H42-P88 WeakPolarHBondContact CE1-CG 3.3Å; H42-P88 VanDerWaalsContact NE2-CG 3.29Å; H42-P88 WeakPolarHBondContact NE2-CG 3.2Å; H42-T89 HydrophobicContact CB-CG2 3.98Å; H42-T89 WeakPolarHBondContact CD2-CG2 3.36Å; H42-Y96 HydrophobicContact CB-CE2 3.72Å; H42-Y96 VanDerWaalsContact CB-OH 3.27Å; H42-Y96 WeakPolarHBondContact CB-OH 3.35Å
43L92.8Very high90.2Very high32 Ų3266.4 Ų66.417%0.16832%0.323CS..Hα-helixtrans-59.4-44.9175.4-178.464.1000111.2Y39 M40 I46 I47 L93Y39-L43 HydrophobicContact CE1-CD2 4.04Å; Y39-L43 WeakPolarHBondContact O-CB 3.36Å; Y39-L43 PolarHBondContact O-N 2.76Å; M40-L43 PolarHBondContact O-N 2.85Å; M40-L43 HydrophobicContact SD-CD2 4.21Å; L43-I46 PolarHBondContact O-N 2.89Å; L43-I47 HydrophobicContact CD1-CD1 3.93Å; L43-I47 HydrophobicContact CD1-CG1 4.47Å; L43-I47 HydrophobicContact CG-CD1 3.9Å; L43-I47 WeakPolarHBondContact O-CB 3.42Å; L43-I47 VanDerWaalsContact O-CG1 3.32Å; L43-I47 WeakPolarHBondContact O-CG1 3.36Å; L43-I47 PolarHBondContact O-N 3.29Å; L43-L93 HydrophobicContact CD1-CD1 3.39Å
44G91.5Very high89.3Confident35 Ų3568.3 Ų68.336%0.36134%0.337SS..Hα-helixtrans-59-51.517500000112.5M40 E41 H42 I46 I47 Q48M40-G44 PolarHBondContact O-N 3.28Å; E41-G44 PolarHBondContact O-N 3.17Å; H42-G44 VanDerWaalsContact C-N 3.33Å; H42-G44 PolarHBondContact O-N 2.84Å; G44-I46 VanDerWaalsContact C-N 3.31Å; G44-I46 PolarHBondContact O-N 2.93Å; G44-I47 PolarHBondContact O-N 2.9Å; G44-Q48 VanDerWaalsContact O-CB 3.25Å; G44-Q48 WeakPolarHBondContact O-CB 3.47Å; G44-Q48 PolarHBondContact O-N 2.83Å
45K90.2Very high88.5Confident84 Ų8470.8 Ų70.837%0.36535%0.353SS..Hα-helixtrans-55.9-42.7177.3-74166.5-179.5169.50112.3E41 H42 R49 T89E41-K45 VanDerWaalsContact CD-CE 3.44Å; E41-K45 HydrophobicContact CG-CD 4.41Å; E41-K45 VanDerWaalsContact O-CG 3.31Å; E41-K45 WeakPolarHBondContact O-CG 3.42Å; E41-K45 PolarHBondContact O-N 3.04Å; E41-K45 WeakPolarHBondContact OE1-CE 3.37Å; E41-K45 IonicContact OE1-NZ 2.69Å; E41-K45 PolarHBondContact OE1-NZ 3.39Å; E41-K45 IonicContact OE2-NZ 2.63Å; E41-K45 PolarHBondContact OE2-NZ 3.4Å; H42-K45 PolarHBondContact O-N 2.99Å; K45-R49 WeakPolarHBondContact O-CB 3.31Å; K45-R49 PolarHBondContact O-N 3.3Å; K45-T89 HydrophobicContact CB-CG2 3.83Å; K45-T89 HydrophobicContact CD-CG2 3.97Å
46I90.6Very high87.4Confident0 Ų068.3 Ų68.30%034%0.341CS..Hα-helixtrans-67.5-47.5178.1-65.9166.3000111H42 L43 G44 Q48 R49 D50 T89 L93 Y96H42-I46 VanDerWaalsContact O-CG1 3.28Å; H42-I46 WeakPolarHBondContact O-CG1 3.42Å; H42-I46 PolarHBondContact O-N 3.27Å; L43-I46 PolarHBondContact O-N 2.89Å; G44-I46 VanDerWaalsContact C-N 3.31Å; G44-I46 PolarHBondContact O-N 2.93Å; I46-Q48 VanDerWaalsContact C-N 3.32Å; I46-Q48 PolarHBondContact O-N 3.47Å; I46-R49 PolarHBondContact O-N 2.93Å; I46-D50 WeakPolarHBondContact O-CB 3.16Å; I46-D50 PolarHBondContact O-N 3.07Å; I46-T89 HydrophobicContact CG1-CG2 4.34Å; I46-L93 HydrophobicContact CG2-CB 3.93Å; I46-L93 HydrophobicContact CG2-CD1 4.38Å; I46-Y96 HydrophobicContact CD1-CD1 4.18Å; I46-Y96 HydrophobicContact CD1-CD2 3.33Å; I46-Y96 HydrophobicContact CD1-CE2 4.02Å; I46-Y96 HydrophobicContact CD1-CG 3.45Å; I46-Y96 VanDerWaalsContact CD1-CG 3.45Å
47I89.8Confident85.9Confident56 Ų5665.3 Ų65.329%0.28733%0.331SS..Hα-helixtrans-63.2-39.6179.1-69.8169.5000111.2L43 G44 D50 F51 F52 L93L43-I47 HydrophobicContact CD1-CD1 3.93Å; L43-I47 HydrophobicContact CD1-CG1 4.47Å; L43-I47 HydrophobicContact CG-CD1 3.9Å; L43-I47 WeakPolarHBondContact O-CB 3.42Å; L43-I47 VanDerWaalsContact O-CG1 3.32Å; L43-I47 WeakPolarHBondContact O-CG1 3.36Å; L43-I47 PolarHBondContact O-N 3.29Å; G44-I47 PolarHBondContact O-N 2.9Å; I47-D50 PolarHBondContact O-N 3.16Å; I47-F51 HydrophobicContact CG2-CD2 4.23Å; I47-F51 WeakPolarHBondContact O-CB 3.47Å; I47-F51 PolarHBondContact O-N 2.98Å; I47-F52 HydrophobicContact CG2-CD2 4.06Å; I47-F52 HydrophobicContact CG2-CE2 4.03Å; I47-F52 PolarHBondContact O-N 2.71Å; I47-L93 HydrophobicContact CG1-CD1 4.21Å; I47-L93 HydrophobicContact CG1-CD2 4.19Å
48Q87.6Confident84.2Confident39 Ų3961.4 Ų61.418%0.18232%0.315CS..Hα-helixtrans-63.7-43.6176.8-169.1-173.52.300111.6G44 I46 F52 L55 T56 E59G44-Q48 VanDerWaalsContact O-CB 3.25Å; G44-Q48 WeakPolarHBondContact O-CB 3.47Å; G44-Q48 PolarHBondContact O-N 2.83Å; I46-Q48 VanDerWaalsContact C-N 3.32Å; I46-Q48 PolarHBondContact O-N 3.47Å; Q48-F52 CarbonylContact O-C 2.91Å; Q48-F52 WeakPolarHBondContact O-CA 3.46Å; Q48-F52 PolarHBondContact O-N 2.86Å; Q48-L55 HydrophobicContact CG-CB 4.07Å; Q48-T56 HydrophobicContact CG-CG2 3.97Å; Q48-E59 PolarHBondContact NE2-OE1 3.28Å; Q48-E59 PolarHBondContact NE2-OE2 3.46Å
49R84.9Confident82.5Confident93 Ų9363.5 Ų63.535%0.35132%0.324SS..Hα-helixtrans-62.7-49.3174.1-174.3-163.669.3-164.7-7.8112.1K45 I46 T89 A90 M91K45-R49 WeakPolarHBondContact O-CB 3.31Å; K45-R49 PolarHBondContact O-N 3.3Å; I46-R49 PolarHBondContact O-N 2.93Å; R49-T89 PolarHBondContact NH1-O 2.79Å; R49-A90 VanDerWaalsContact NH1-C 3.26Å; R49-A90 PolarHBondContact NH1-O 3.5Å; R49-M91 PolarHBondContact NH1-O 3.02Å; R49-M91 PolarHBondContact NH2-O 3.3Å
50D85.6Confident80.7Confident29 Ų2968.9 Ų68.916%0.15535%0.35CS..Hα-helixtrans-83.5-41.3-167.1-71.4-11000113.6I46 I47 I190I46-D50 WeakPolarHBondContact O-CB 3.16Å; I46-D50 PolarHBondContact O-N 3.07Å; I47-D50 PolarHBondContact O-N 3.16Å; D50-I190 HydrophobicContact CB-CD1 3.79Å; D50-I190 WeakPolarHBondContact O-CG2 3.47Å
51F85.5Confident78.8Confident102 Ų10270.7 Ų70.745%0.44736%0.355SS..Hα-helixtrans-104.8-29.2-174.6-64.5-93.7000113.3I47 L93 I190I47-F51 HydrophobicContact CG2-CD2 4.23Å; I47-F51 WeakPolarHBondContact O-CB 3.47Å; I47-F51 PolarHBondContact O-N 2.98Å; F51-L93 HydrophobicContact CE2-CD2 3.76Å; F51-L93 HydrophobicContact CZ-CD2 4.26Å; F51-I190 HydrophobicContact CD2-CD1 4.25Å; F51-I190 HydrophobicContact CE1-CD1 4.04Å; F51-I190 HydrophobicContact CE2-CD1 3.55Å; F51-I190 HydrophobicContact CZ-CD1 3.43Å; F51-I190 VanDerWaalsContact CZ-CD1 3.43Å; F51-I190 HydrophobicContact CZ-CG1 4.37Å
52F83.3Confident77Confident109 Ų10968.7 Ų68.748%0.47836%0.364SS..  trans-127.147.6-173.7-56.3-77000114.6I47 Q48 S54 L55I47-F52 HydrophobicContact CG2-CD2 4.06Å; I47-F52 HydrophobicContact CG2-CE2 4.03Å; I47-F52 PolarHBondContact O-N 2.71Å; Q48-F52 CarbonylContact O-C 2.91Å; Q48-F52 WeakPolarHBondContact O-CA 3.46Å; Q48-F52 PolarHBondContact O-N 2.86Å; F52-S54 PolarHBondContact O-N 2.9Å; F52-L55 HydrophobicContact CB-CD1 3.63Å; F52-L55 HydrophobicContact CB-CG 3.93Å; F52-L55 HydrophobicContact CG-CD1 4.17Å; F52-L55 WeakPolarHBondContact O-CB 3.41Å; F52-L55 PolarHBondContact O-N 3.06Å
53P80.3Confident75.2Confident57 Ų5773.4 Ų73.437%0.3739%0.394SS..THydrogen-bonded Turntrans-63.8-1.6-176.227.7-37.1000114.8T56P53-T56 PolarHBondContact O-OG1 3.36Å
54S75.2Confident72.8Confident61 Ų6178.4 Ų78.443%0.42742%0.421SS..THydrogen-bonded Turntrans-78.7-21.4166.752.30000114.1F52 T57 N58F52-S54 PolarHBondContact O-N 2.9Å; S54-T57 PolarHBondContact O-OG1 3.33Å; S54-N58 PolarHBondContact O-ND2 2.93Å
55L74.6Confident70Confident82 Ų8280 Ų8043%0.42944%0.437SS..THydrogen-bonded Turntrans-75.4-48.1-174.4-68.6179.8000112.3Q48 F52 T57 N58Q48-L55 HydrophobicContact CG-CB 4.07Å; F52-L55 HydrophobicContact CB-CD1 3.63Å; F52-L55 HydrophobicContact CB-CG 3.93Å; F52-L55 HydrophobicContact CG-CD1 4.17Å; F52-L55 WeakPolarHBondContact O-CB 3.41Å; F52-L55 PolarHBondContact O-N 3.06Å; L55-T57 PolarHBondContact O-N 2.81Å; L55-N58 WeakPolarHBondContact O-CB 3.35Å; L55-N58 PolarHBondContact O-N 3.18Å; L55-N58 PolarHBondContact O-ND2 3.37Å
56T69.8Low67.4Low48 Ų4884.6 Ų84.629%0.29446%0.46SS..Hα-helixtrans-47.5-46.4175.952.50000111.6Q48 P53 N58 E59 E60Q48-T56 HydrophobicContact CG-CG2 3.97Å; P53-T56 PolarHBondContact O-OG1 3.36Å; T56-N58 PolarHBondContact O-N 3.21Å; T56-E59 PolarHBondContact O-N 2.83Å; T56-E60 PolarHBondContact O-N 2.84Å
57T63.5Low64.8Low55 Ų5592.7 Ų92.734%0.33750%0.497SS..Hα-helixtrans-66.3-1.9-179.274.80000115.4S54 L55 K61S54-T57 PolarHBondContact O-OG1 3.33Å; L55-T57 PolarHBondContact O-N 2.81Å; T57-K61 WeakPolarHBondContact O-CD 3.46Å; T57-K61 WeakPolarHBondContact O-CG 3.39Å; T57-K61 PolarHBondContact O-NZ 2.88Å
58N57.7Low62.5Low67 Ų6795.5 Ų95.536%0.35852%0.522SS..Hα-helixtrans-103.7-27.4170.6-53.3-66000112.6S54 L55 T56 K61 G62S54-N58 PolarHBondContact O-ND2 2.93Å; L55-N58 WeakPolarHBondContact O-CB 3.35Å; L55-N58 PolarHBondContact O-N 3.18Å; L55-N58 PolarHBondContact O-ND2 3.37Å; T56-N58 PolarHBondContact O-N 3.21Å; N58-K61 CarbonylContact O-C 3.5Å; N58-K61 PolarHBondContact O-N 3.29Å; N58-G62 PolarHBondContact O-N 3.47Å
59E57.1Low60.2Low119 Ų119101.8 Ų101.856%0.55655%0.551SS**Hα-helixtrans-71.7-43.8179.9-68.2168.5160.100110.1Q48 T56 K61 G62Q48-E59 PolarHBondContact NE2-OE1 3.28Å; Q48-E59 PolarHBondContact NE2-OE2 3.46Å; T56-E59 PolarHBondContact O-N 2.83Å; E59-K61 PolarHBondContact O-N 3.46Å; E59-K61 VanDerWaalsContact O-N 3.09Å; E59-G62 PolarHBondContact O-N 3.01Å
60E56.1Low58Low140 Ų140104.8 Ų104.865%0.65457%0.573SS**THydrogen-bonded Turntrans-54.9-26.1168.2-62.7172.2152.700112.9T56T56-E60 PolarHBondContact O-N 2.84Å
61K53.6Low55.9Low148 Ų148112.6 Ų112.664%0.64361%0.606SS**THydrogen-bonded Turntrans-98.47.6-179.3-60.5-169.3-176.297.40113.7T57 N58 E59T57-K61 WeakPolarHBondContact O-CD 3.46Å; T57-K61 WeakPolarHBondContact O-CG 3.39Å; T57-K61 PolarHBondContact O-NZ 2.88Å; N58-K61 CarbonylContact O-C 3.5Å; N58-K61 PolarHBondContact O-N 3.29Å; E59-K61 PolarHBondContact O-N 3.46Å; E59-K61 VanDerWaalsContact O-N 3.09Å
62G53.6Low53.7Low67 Ų67113.9 Ų113.969%0.69162%0.618SS**THydrogen-bonded Turntrans-91.1-15.2174.500000114.1N58 E59N58-G62 PolarHBondContact O-N 3.47Å; E59-G62 PolarHBondContact O-N 3.01Å
63V55.7Low51.6Low119 Ų119120.4 Ų120.472%0.72164%0.639SS**THydrogen-bonded Turntrans-102-50.8-168.2-176.80000112.5
64D42.3Very low49.6Very low137 Ų137122.3 Ų122.373%0.73365%0.653SS**  trans-105137.9-170.9-65-57.1000113.7
65G34.2Very low47.9Very low67 Ų67123.3 Ų123.369%0.69167%0.665SS**  trans-96.6136.6-178.900000114.1
66E34.3Very low46.3Very low182 Ų182126.8 Ų126.885%0.8568%0.684SS**  trans76.9149151.1-44-164.7178.400119.8
67H37.4Very low44.7Very low170 Ų170130 Ų13079%0.78771%0.707SS**  trans53.584.4164.4-74.5-78.2000122.2
68S41.5Very low43.8Very low115 Ų115134.4 Ų134.480%0.80473%0.727SS**  173.4124.2121.5410000109.1
69E38.8Very low43Very low171 Ų171137.7 Ų137.780%0.79974%0.744SS**  80.597.856.4-166.5156.1-131.600114.3
70L37.8Very low42.3Very low156 Ų156135.9 Ų135.982%0.81775%0.745SS**  trans37.989.4151.7-58.8175.7000118.5
71K42.6Very low41.7Very low192 Ų192137.6 Ų137.684%0.83575%0.752SS**  trans-141164.8153.6-119.8166.3-175.7171.70113.4
72D38.5Very low41Very low130 Ų130133.8 Ų133.870%0.69574%0.739SS**  trans-51.6130-149.5-65.7-78.4000118.8S74D72-S74 VanDerWaalsContact C-N 3.32Å; D72-S74 PolarHBondContact O-N 2.92Å
73R39.4Very low40.7Very low246 Ų246134.2 Ų134.293%0.92873%0.73SS**THydrogen-bonded Turntrans-9149.6178.9-57.5169.595.1114.6-5.8112
74S38.1Very low40Very low96 Ų96135.1 Ų135.167%0.67173%0.726SS**THydrogen-bonded Turntrans-141.5-20.8-170.853.80000116.9D72D72-S74 VanDerWaalsContact C-N 3.32Å; D72-S74 PolarHBondContact O-N 2.92Å
75A39.8Very low40Very low82 Ų82138.3 Ų138.368%0.67873%0.733SS**  trans-99.8-0.6-159.800000117.6C77A75-C77 PolarHBondContact O-N 3.21Å
76L40.4Very low41.1Very low156 Ų156139.7 Ų139.782%0.81773%0.732SS**  trans-97.152.3-177.4-66.3-179.9000113.8I78L76-I78 HydrophobicContact CD2-CD1 4.3Å; L76-I78 HydrophobicContact CD2-CG1 4.21Å
77C35.8Very low42.8Very low114 Ų114135.6 Ų135.677%0.7772%0.717SS**  trans-92.686.1145.7-68.20000106.8A75 D79A75-C77 PolarHBondContact O-N 3.21Å; C77-D79 PolarHBondContact O-N 2.98Å; C77-D79 VanDerWaalsContact O-N 3.07Å
78I44.7Very low44.4Very low148 Ų148129.9 Ų129.976%0.75970%0.695SS**  trans-71.8103.1169-60.8177.8000106.1L76L76-I78 HydrophobicContact CD2-CD1 4.3Å; L76-I78 HydrophobicContact CD2-CG1 4.21Å
79D41.8Very low46.2Very low136 Ų136125.8 Ų125.873%0.72766%0.664SS**  trans-59.6145.7177-119.6-40.4000110.5C77 H81C77-D79 PolarHBondContact O-N 2.98Å; C77-D79 VanDerWaalsContact O-N 3.07Å; D79-H81 PolarHBondContact O-N 2.98Å
80S41.8Very low48.1Very low81 Ų81118.6 Ų118.657%0.56663%0.634SS**  trans-73.754.5-166.361.20000114.8N82 K189S80-N82 PolarHBondContact O-N 3.38Å; S80-K189 PolarHBondContact OG-NZ 3.03Å; S80-K189 VanDerWaalsContact OG-NZ 3.15Å
81H43.1Very low50.2Low176 Ų176112.7 Ų112.782%0.81560%0.603SS**  trans-86.598.2179.5-119.7-64.8000111.4D79 P83D79-H81 PolarHBondContact O-N 2.98Å; H81-P83 VanDerWaalsContact O-CD 3.25Å; H81-P83 WeakPolarHBondContact O-CD 3.26Å
82N39.7Very low52.3Low69 Ų69105 Ų10537%0.36957%0.574SS.*  trans-50.2111.1169.1172.735.6000111.1S80 E84S80-N82 PolarHBondContact O-N 3.38Å; N82-E84 WeakPolarHBondContact ND2-CG 3.49Å; N82-E84 PolarHBondContact ND2-OE1 3.42Å; N82-E84 PolarHBondContact O-N 3.4Å; N82-E84 VanDerWaalsContact O-N 3.12Å
83P46.5Very low54.7Low76 Ų7699.9 Ų99.949%0.49455%0.546SS..  trans-83.589178.432.8-30.2000109.6H81 K85 A90H81-P83 VanDerWaalsContact O-CD 3.25Å; H81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-K85 PolarHBondContact O-N 3.01Å; P83-A90 HydrophobicContact CG-CB 3.87Å
84E41.6Very low57.1Low137 Ų13791.6 Ų91.664%0.6452%0.52SS*.  trans-72.676.4174.9-60.6-161.2157.900111.8N82N82-E84 WeakPolarHBondContact ND2-CG 3.49Å; N82-E84 PolarHBondContact ND2-OE1 3.42Å; N82-E84 PolarHBondContact O-N 3.4Å; N82-E84 VanDerWaalsContact O-N 3.12Å
85K41.7Very low59.5Low204 Ų20490.1 Ų90.189%0.88750%0.501SS*.SBendtrans159.283.6150-82.2145.1-156.21600112P83P83-K85 PolarHBondContact O-N 3.01Å
86S58.3Low62Low96 Ų9686.2 Ų86.267%0.67147%0.469SS*.SBendtrans-171.4-57.1140.2570000111.3
87D69.3Low64.4Low97 Ų9783.3 Ų83.352%0.51945%0.453SS..  trans-101.9134.8-158.3-57.1-4.8000112.5T89 A90D87-T89 PolarHBondContact O-N 2.8Å; D87-T89 VanDerWaalsContact O-N 3.15Å; D87-A90 HydrophobicContact CB-CB 4.38Å; D87-A90 VanDerWaalsContact O-CB 3.3Å; D87-A90 WeakPolarHBondContact O-CB 3.39Å; D87-A90 PolarHBondContact O-N 2.75Å; D87-A90 VanDerWaalsContact O-N 3.11Å
88P72.3Confident66.9Low50 Ų5080.7 Ų80.733%0.32544%0.439SS..THydrogen-bonded Turntrans-66.2-15.2176.829.2-36.6000113.5R34 H42R34-P88 VanDerWaalsContact NH2-CB 3.35Å; H42-P88 VanDerWaalsContact CE1-CG 3.49Å; H42-P88 WeakPolarHBondContact CE1-CG 3.3Å; H42-P88 VanDerWaalsContact NE2-CG 3.29Å; H42-P88 WeakPolarHBondContact NE2-CG 3.2Å
89T78.1Confident69.1Low28 Ų2877.4 Ų77.417%0.17242%0.423CS..THydrogen-bonded Turntrans-92-4.5176.749.70000113.6H42 K45 I46 R49 D87 M91H42-T89 HydrophobicContact CB-CG2 3.98Å; H42-T89 WeakPolarHBondContact CD2-CG2 3.36Å; K45-T89 HydrophobicContact CB-CG2 3.83Å; K45-T89 HydrophobicContact CD-CG2 3.97Å; I46-T89 HydrophobicContact CG1-CG2 4.34Å; R49-T89 PolarHBondContact NH1-O 2.79Å; D87-T89 PolarHBondContact O-N 2.8Å; D87-T89 VanDerWaalsContact O-N 3.15Å; T89-M91 VanDerWaalsContact C-N 3.25Å; T89-M91 PolarHBondContact O-N 3.47Å
90A78.3Confident71.5Confident20 Ų2071.2 Ų71.217%0.16539%0.39CS..SBendtrans-67.5-24.3-178.900000113.6R49 P83 D87R49-A90 VanDerWaalsContact NH1-C 3.26Å; R49-A90 PolarHBondContact NH1-O 3.5Å; P83-A90 HydrophobicContact CG-CB 3.87Å; D87-A90 HydrophobicContact CB-CB 4.38Å; D87-A90 VanDerWaalsContact O-CB 3.3Å; D87-A90 WeakPolarHBondContact O-CB 3.39Å; D87-A90 PolarHBondContact O-N 2.75Å; D87-A90 VanDerWaalsContact O-N 3.11Å
91M82.7Confident74Confident33 Ų3367.9 Ų67.916%0.16337%0.366CS..SBendtrans-76.6163-177.165.7-156.9-52.700114R49 T89 K95 Y96 N99R49-M91 PolarHBondContact NH1-O 3.02Å; R49-M91 PolarHBondContact NH2-O 3.3Å; T89-M91 VanDerWaalsContact C-N 3.25Å; T89-M91 PolarHBondContact O-N 3.47Å; M91-K95 HydrophobicContact CB-CD 4.46Å; M91-K95 HydrophobicContact CE-CB 4.16Å; M91-K95 HydrophobicContact CE-CG 3.85Å; M91-K95 VanDerWaalsContact CE-O 3.25Å; M91-K95 WeakPolarHBondContact CE-O 3.46Å; M91-Y96 HydrophobicContact CG-CD2 4.13Å; M91-Y96 HydrophobicContact SD-CD2 3.78Å; M91-Y96 HydrophobicContact SD-CG 4.41Å; M91-N99 HydrophobicContact CE-CB 4.21Å; M91-N99 WeakPolarHBondContact CE-ND2 3.38Å
92S87.4Confident76.4Confident31 Ų3160.5 Ų60.522%0.21733%0.334CS..  trans-68.8150.1171.8175.20000111.7D94 K95 Y96S92-D94 PolarHBondContact O-N 3.27Å; S92-K95 CarbonylContact O-C 3.56Å; S92-K95 WeakPolarHBondContact O-CA 3.45Å; S92-K95 WeakPolarHBondContact O-CB 3.13Å; S92-K95 PolarHBondContact O-N 3.33Å; S92-Y96 PolarHBondContact O-N 2.93Å
93L89.2Confident78.9Confident22 Ų2260.9 Ų60.912%0.11533%0.333CS..Hα-helixtrans-49.4-52.8179.5178.360.1000113.7L43 I46 I47 F51 K95 Y96 M97L43-L93 HydrophobicContact CD1-CD1 3.39Å; I46-L93 HydrophobicContact CG2-CB 3.93Å; I46-L93 HydrophobicContact CG2-CD1 4.38Å; I47-L93 HydrophobicContact CG1-CD1 4.21Å; I47-L93 HydrophobicContact CG1-CD2 4.19Å; F51-L93 HydrophobicContact CE2-CD2 3.76Å; F51-L93 HydrophobicContact CZ-CD2 4.26Å; L93-K95 PolarHBondContact O-N 2.88Å; L93-Y96 WeakPolarHBondContact O-CB 3.24Å; L93-Y96 PolarHBondContact O-N 3.12Å; L93-Y96 VanDerWaalsContact O-N 3.07Å; L93-M97 HydrophobicContact CD1-CG 4.17Å; L93-M97 HydrophobicContact CD1-SD 3.9Å; L93-M97 HydrophobicContact CG-SD 4.12Å; L93-M97 PolarHBondContact O-N 3.37Å
94D89.3Confident81.2Confident72 Ų7262.8 Ų62.839%0.38534%0.339SS..Hα-helixtrans-59-36.4-180-70.97.4000111.3S92 A98 R188S92-D94 PolarHBondContact O-N 3.27Å; D94-A98 VanDerWaalsContact O-CB 3.27Å; D94-A98 WeakPolarHBondContact O-CB 3.43Å; D94-A98 PolarHBondContact O-N 3.28Å; D94-R188 IonicContact OD1-NH1 2.68Å; D94-R188 WeakPolarHBondContact OD2-CD 3.49Å; D94-R188 IonicContact OD2-CZ 3.56Å; D94-R188 IonicContact OD2-NE 2.72Å; D94-R188 IonicContact OD2-NH1 3.53Å; D94-R188 PolarHBondContact OD2-NH1 2.91Å
95K88.6Confident83.6Confident64 Ų6459.9 Ų59.928%0.27833%0.328SS..Hα-helixtrans-73.5-34.8178.4-159.6171.8-173.4160.20111.5M91 S92 L93 N99 E187M91-K95 HydrophobicContact CB-CD 4.46Å; M91-K95 HydrophobicContact CE-CB 4.16Å; M91-K95 HydrophobicContact CE-CG 3.85Å; M91-K95 VanDerWaalsContact CE-O 3.25Å; M91-K95 WeakPolarHBondContact CE-O 3.46Å; S92-K95 CarbonylContact O-C 3.56Å; S92-K95 WeakPolarHBondContact O-CA 3.45Å; S92-K95 WeakPolarHBondContact O-CB 3.13Å; S92-K95 PolarHBondContact O-N 3.33Å; L93-K95 PolarHBondContact O-N 2.88Å; K95-N99 WeakPolarHBondContact O-CB 3.48Å; K95-N99 PolarHBondContact O-N 3.31Å; K95-E187 IonicContact NZ-OE1 3.17Å; K95-E187 PolarHBondContact NZ-OE1 3.19Å; K95-E187 IonicContact NZ-OE2 3.84Å
96Y92Very high86Confident0 Ų050.1 Ų50.10%029%0.286CS..Hα-helixtrans-65.2-50.2174.8-177.2-91.5000111R34 Y39 H42 I46 M91 S92 L93 A98 N99 N100R34-Y96 PolarHBondContact NH1-OH 2.86Å; Y39-Y96 AromaticContact CD2-CE1 3.83Å; Y39-Y96 HydrophobicContact CD2-CE1 3.83Å; Y39-Y96 HydrophobicContact CE2-CD1 4.32Å; Y39-Y96 AromaticContact CE2-CE1 3.53Å; Y39-Y96 HydrophobicContact CE2-CE1 3.53Å; H42-Y96 HydrophobicContact CB-CE2 3.72Å; H42-Y96 VanDerWaalsContact CB-OH 3.27Å; H42-Y96 WeakPolarHBondContact CB-OH 3.35Å; I46-Y96 HydrophobicContact CD1-CD1 4.18Å; I46-Y96 HydrophobicContact CD1-CD2 3.33Å; I46-Y96 HydrophobicContact CD1-CE2 4.02Å; I46-Y96 HydrophobicContact CD1-CG 3.45Å; I46-Y96 VanDerWaalsContact CD1-CG 3.45Å; M91-Y96 HydrophobicContact CG-CD2 4.13Å; M91-Y96 HydrophobicContact SD-CD2 3.78Å; M91-Y96 HydrophobicContact SD-CG 4.41Å; S92-Y96 PolarHBondContact O-N 2.93Å; L93-Y96 WeakPolarHBondContact O-CB 3.24Å; L93-Y96 PolarHBondContact O-N 3.12Å; L93-Y96 VanDerWaalsContact O-N 3.07Å; Y96-A98 PolarHBondContact O-N 3.03Å; Y96-N99 PolarHBondContact O-N 3.04Å; Y96-N100 HydrophobicContact CE1-CB 4.43Å; Y96-N100 WeakPolarHBondContact O-CB 3.3Å; Y96-N100 PolarHBondContact O-N 3.01Å; Y96-N100 PolarHBondContact O-ND2 3.37Å
97M90.6Very high87.6Confident95 Ų9547.9 Ų47.947%0.46827%0.27SS..Hα-helixtrans-66.8-35.5179.7-64.4176.76900112.3Q31 L93 N99 N100Q31-M97 PolarHBondContact NE2-O 3.31Å; L93-M97 HydrophobicContact CD1-CG 4.17Å; L93-M97 HydrophobicContact CD1-SD 3.9Å; L93-M97 HydrophobicContact CG-SD 4.12Å; L93-M97 PolarHBondContact O-N 3.37Å; M97-N99 VanDerWaalsContact C-N 3.25Å; M97-N99 PolarHBondContact O-N 2.93Å; M97-N100 VanDerWaalsContact O-O 3.11Å
98A88.8Confident88.7Confident59 Ų5949.5 Ų49.549%0.48827%0.273SS..Hα-helixtrans-66.4-25.5175.300000113.8Q31 D94 Y96Q31-A98 WeakPolarHBondContact CG-O 3.25Å; D94-A98 VanDerWaalsContact O-CB 3.27Å; D94-A98 WeakPolarHBondContact O-CB 3.43Å; D94-A98 PolarHBondContact O-N 3.28Å; Y96-A98 PolarHBondContact O-N 3.03Å
99N90.3Very high89.7Confident79 Ų7947.3 Ų47.342%0.42226%0.258SS..Hα-helixtrans-103.3-14.4-174.7-73.34.3000114Q31 T32 M91 K95 Y96 M97Q31-N99 CarbonylContact C-O 3.57Å; Q31-N99 VanDerWaalsContact CA-O 3.3Å; Q31-N99 WeakPolarHBondContact CA-O 3.34Å; T32-N99 PolarHBondContact N-O 2.73Å; T32-N99 PolarHBondContact OG1-O 3.47Å; T32-N99 VanDerWaalsContact OG1-O 3.11Å; M91-N99 HydrophobicContact CE-CB 4.21Å; M91-N99 WeakPolarHBondContact CE-ND2 3.38Å; K95-N99 WeakPolarHBondContact O-CB 3.48Å; K95-N99 PolarHBondContact O-N 3.31Å; Y96-N99 PolarHBondContact O-N 3.04Å; M97-N99 VanDerWaalsContact C-N 3.25Å; M97-N99 PolarHBondContact O-N 2.93Å
100N92.4Very high90.3Very high7 Ų749.7 Ų49.74%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-132.1159.2-172.9-55.4-78.8000112.1Q31 T32 R34 Y39 Y96 M97Q31-N100 PolarHBondContact NE2-O 2.95Å; T32-N100 CarbonylContact O-C 3.54Å; T32-N100 VanDerWaalsContact O-CA 3.28Å; T32-N100 WeakPolarHBondContact O-CA 3.3Å; T32-N100 PolarHBondContact OG1-OD1 2.81Å; R34-N100 PolarHBondContact NH1-ND2 2.98Å; R34-N100 PolarHBondContact NH1-OD1 3.26Å; Y39-N100 HydrophobicContact CD2-CB 4.21Å; Y39-N100 HydrophobicContact CE2-CB 3.99Å; Y96-N100 HydrophobicContact CE1-CB 4.43Å; Y96-N100 WeakPolarHBondContact O-CB 3.3Å; Y96-N100 PolarHBondContact O-N 3.01Å; Y96-N100 PolarHBondContact O-ND2 3.37Å; M97-N100 VanDerWaalsContact O-O 3.11Å
101T93.2Very high91Very high10 Ų1053.7 Ų53.76%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-151.2160.4177.2-153.60000109.3L18 Q31 T32 V33 R34 D105L18-T101 HydrophobicContact CB-CG2 3.9Å; L18-T101 HydrophobicContact CD2-CG2 3.96Å; Q31-T101 HydrophobicContact CB-CG2 4.17Å; T32-T101 PolarHBondContact O-N 3.44Å; V33-T101 WeakPolarHBondContact CA-O 3.3Å; V33-T101 HydrophobicContact CB-CG2 4.4Å; V33-T101 HydrophobicContact CG2-CG2 3.88Å; R34-T101 PolarHBondContact N-O 3.06Å; T101-D105 WeakPolarHBondContact OG1-CB 3.1Å; T101-D105 PolarHBondContact OG1-OD2 3Å
102T94.3Very high91.3Very high22 Ų2254.4 Ų54.414%0.13529%0.292CS..EExtended strand (participates in β ladder)trans-78.3162.917966.80000112.5R34 Y39 D104 D105 A106R34-T102 CarbonylContact O-C 3.36Å; R34-T102 WeakPolarHBondContact O-CA 3.38Å; Y39-T102 HydrophobicContact CD1-CG2 3.69Å; Y39-T102 HydrophobicContact CE1-CG2 4.11Å; Y39-T102 HydrophobicContact CG-CG2 3.93Å; T102-D104 VanDerWaalsContact C-N 3.28Å; T102-D105 WeakPolarHBondContact CB-OD2 3.49Å; T102-D105 PolarHBondContact N-OD2 2.99Å; T102-D105 PolarHBondContact O-N 2.83Å; T102-D105 PolarHBondContact OG1-N 2.94Å; T102-D105 VanDerWaalsContact OG1-N 3.07Å; T102-D105 PolarHBondContact OG1-OD2 2.92Å; T102-A106 PolarHBondContact O-N 2.88Å
103E92.7Very high91.4Very high77 Ų7754.6 Ų54.636%0.3629%0.289SS..Hα-helixtrans-65.9-29.5170.1-178.7160.4-125.600112.4K16 V33 R34 A106 S107K16-E103 IonicContact NZ-OE1 3.71Å; K16-E103 PolarHBondContact NZ-OE1 2.92Å; V33-E103 HydrophobicContact CG1-CB 4.16Å; R34-E103 PolarHBondContact O-N 3.15Å; E103-A106 PolarHBondContact O-N 3.19Å; E103-S107 VanDerWaalsContact O-CB 3.26Å; E103-S107 WeakPolarHBondContact O-CB 3.45Å; E103-S107 PolarHBondContact O-N 3.31Å; E103-S107 PolarHBondContact O-OG 3.43Å
104D94Very high91.5Very high116 Ų11657.3 Ų57.362%0.6230%0.301SS*.Hα-helixtrans-67.5-44.2174.8-168.454.5000111.6T102 A106 S107 F108T102-D104 VanDerWaalsContact C-N 3.28Å; D104-A106 VanDerWaalsContact C-N 3.25Å; D104-A106 PolarHBondContact O-N 3.07Å; D104-S107 PolarHBondContact O-N 2.94Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-F108 WeakPolarHBondContact O-CB 3.45Å; D104-F108 PolarHBondContact O-N 2.93Å
105D92.2Very high91.7Very high75 Ų7557.4 Ų57.440%0.40130%0.302SS..Hα-helixtrans-54.6-43.5172.8-63.1-55.9000111.6T101 T102 A109T101-D105 WeakPolarHBondContact OG1-CB 3.1Å; T101-D105 PolarHBondContact OG1-OD2 3Å; T102-D105 WeakPolarHBondContact CB-OD2 3.49Å; T102-D105 PolarHBondContact N-OD2 2.99Å; T102-D105 PolarHBondContact O-N 2.83Å; T102-D105 PolarHBondContact OG1-N 2.94Å; T102-D105 VanDerWaalsContact OG1-N 3.07Å; T102-D105 PolarHBondContact OG1-OD2 2.92Å; D105-A109 PolarHBondContact O-N 3.09Å; D105-A109 VanDerWaalsContact O-N 3.09Å
106A92.3Very high91.7Very high0 Ų056.9 Ų56.90%030%0.3CS..Hα-helixtrans-70.1-40.1179.600000111.8V8 V33 T102 E103 D104 A109 E110V8-A106 HydrophobicContact CG2-CB 3.96Å; V8-A106 WeakPolarHBondContact CG2-O 3.32Å; V33-A106 HydrophobicContact CB-CB 4.39Å; V33-A106 HydrophobicContact CG1-CB 3.72Å; V33-A106 HydrophobicContact CG2-CB 3.69Å; T102-A106 PolarHBondContact O-N 2.88Å; E103-A106 PolarHBondContact O-N 3.19Å; D104-A106 VanDerWaalsContact C-N 3.25Å; D104-A106 PolarHBondContact O-N 3.07Å; A106-A109 WeakPolarHBondContact O-CB 3.17Å; A106-A109 PolarHBondContact O-N 3.09Å; A106-E110 PolarHBondContact O-N 3.3Å
107S91.9Very high91.5Very high48 Ų4862 Ų6234%0.33632%0.32SS..Hα-helixtrans-67.5-37.4177.4-60.40000111.7E103 D104 E110 L111E103-S107 VanDerWaalsContact O-CB 3.26Å; E103-S107 WeakPolarHBondContact O-CB 3.45Å; E103-S107 PolarHBondContact O-N 3.31Å; E103-S107 PolarHBondContact O-OG 3.43Å; D104-S107 PolarHBondContact O-N 2.94Å; D104-S107 VanDerWaalsContact O-N 3.14Å; S107-E110 PolarHBondContact O-N 3.33Å; S107-L111 WeakPolarHBondContact O-CB 3.28Å; S107-L111 PolarHBondContact O-N 2.81Å
108F93.1Very high91.6Very high132 Ų13262.1 Ų62.158%0.57932%0.318SS*.Hα-helixtrans-62.5-43170.4-178-98.9000111.5D104 E110 L111 V112D104-F108 WeakPolarHBondContact O-CB 3.45Å; D104-F108 PolarHBondContact O-N 2.93Å; F108-E110 PolarHBondContact O-N 3.1Å; F108-L111 PolarHBondContact O-N 2.84Å; F108-V112 HydrophobicContact CD1-CG2 4.11Å; F108-V112 HydrophobicContact CE1-CG2 3.69Å; F108-V112 HydrophobicContact CE2-CG2 4.38Å; F108-V112 HydrophobicContact CZ-CG2 3.83Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 2.93Å
109A91.5Very high91.6Very high3 Ų363.7 Ų63.73%0.02532%0.315CS..Hα-helixtrans-62.3-40.9174.900000112.6V8 L18 D105 A106 V112 E113V8-A109 HydrophobicContact CG2-CB 4.49Å; L18-A109 HydrophobicContact CD1-CB 3.68Å; D105-A109 PolarHBondContact O-N 3.09Å; D105-A109 VanDerWaalsContact O-N 3.09Å; A106-A109 WeakPolarHBondContact O-CB 3.17Å; A106-A109 PolarHBondContact O-N 3.09Å; A109-V112 PolarHBondContact O-N 3.45Å; A109-E113 PolarHBondContact O-N 2.99Å
110E91.9Very high91.4Very high79 Ų7964.5 Ų64.537%0.36931%0.312SS..Hα-helixtrans-63.5-40.7173.5-71.6-174.9-160.900112.2V8 A106 S107 F108 E113 E114V8-E110 HydrophobicContact CB-CG 4.02Å; V8-E110 HydrophobicContact CG2-CG 3.79Å; A106-E110 PolarHBondContact O-N 3.3Å; S107-E110 PolarHBondContact O-N 3.33Å; F108-E110 PolarHBondContact O-N 3.1Å; E110-E113 PolarHBondContact O-N 3.11Å; E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.38Å
111L91.8Very high91.2Very high104 Ų10469.9 Ų69.955%0.54534%0.34SS..Hα-helixtrans-65-39.1175.7-174.8152.8000111.9S107 F108 E114 N115S107-L111 WeakPolarHBondContact O-CB 3.28Å; S107-L111 PolarHBondContact O-N 2.81Å; F108-L111 PolarHBondContact O-N 2.84Å; L111-E114 PolarHBondContact O-N 3.48Å; L111-N115 WeakPolarHBondContact O-CB 3.3Å; L111-N115 PolarHBondContact O-N 3.5Å
112V90.9Very high91.1Very high47 Ų4776.2 Ų76.229%0.28537%0.366SS..Hα-helixtrans-64-48.2172.8170.40000110.5F108 A109 E114 N115 E116F108-V112 HydrophobicContact CD1-CG2 4.11Å; F108-V112 HydrophobicContact CE1-CG2 3.69Å; F108-V112 HydrophobicContact CE2-CG2 4.38Å; F108-V112 HydrophobicContact CZ-CG2 3.83Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 2.93Å; A109-V112 PolarHBondContact O-N 3.45Å; V112-E114 VanDerWaalsContact C-N 3.26Å; V112-E114 PolarHBondContact O-N 3.11Å; V112-N115 PolarHBondContact O-N 3.18Å; V112-E116 HydrophobicContact CG1-CG 4.43Å; V112-E116 WeakPolarHBondContact O-CG 3.48Å; V112-E116 PolarHBondContact O-N 3.25Å
113E89.3Confident90.9Very high36 Ų3678.6 Ų78.617%0.16838%0.378CS..Hα-helixtrans-59.9-38.8176.5-160.2-162136.400111.2K7 A109 E110 E116 R117K7-E113 IonicContact NZ-OE1 2.69Å; K7-E113 PolarHBondContact NZ-OE1 3.19Å; K7-E113 IonicContact NZ-OE2 3.61Å; K7-E113 PolarHBondContact NZ-OE2 2.82Å; A109-E113 PolarHBondContact O-N 2.99Å; E110-E113 PolarHBondContact O-N 3.11Å; E113-E116 PolarHBondContact O-N 2.69Å; E113-R117 WeakPolarHBondContact O-CB 3.42Å; E113-R117 PolarHBondContact O-N 2.92Å; E113-R117 IonicContact OE1-CZ 2.77Å; E113-R117 IonicContact OE1-NE 2.72Å; E113-R117 IonicContact OE1-NH2 3.18Å; E113-R117 PolarHBondContact OE1-NH2 3.29Å; E113-R117 IonicContact OE2-NH2 2.77Å
114E91.1Very high90.5Very high78 Ų7875.6 Ų75.636%0.36437%0.366SS..Hα-helixtrans-71.1-35.1179.7-156.3-115.1177.300112.7E110 L111 V112 R117 K118E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.38Å; L111-E114 PolarHBondContact O-N 3.48Å; V112-E114 VanDerWaalsContact C-N 3.26Å; V112-E114 PolarHBondContact O-N 3.11Å; E114-R117 PolarHBondContact O-N 2.87Å; E114-K118 WeakPolarHBondContact O-CB 3.35Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.46Å; E114-K118 PolarHBondContact O-N 3.45Å; E114-K118 WeakPolarHBondContact OE1-CE 3.34Å; E114-K118 IonicContact OE1-NZ 3.66Å; E114-K118 PolarHBondContact OE1-NZ 3.5Å; E114-K118 WeakPolarHBondContact OE2-CE 3.22Å; E114-K118 IonicContact OE2-NZ 2.72Å; E114-K118 PolarHBondContact OE2-NZ 3.08Å
115N92.2Very high90Very high75 Ų7575 Ų7540%0.40137%0.369SS..Hα-helixtrans-68.5-46.7171-171.24000111.5L111 V112 R117 K118 Q119L111-N115 WeakPolarHBondContact O-CB 3.3Å; L111-N115 PolarHBondContact O-N 3.5Å; V112-N115 PolarHBondContact O-N 3.18Å; N115-R117 VanDerWaalsContact C-N 3.29Å; N115-R117 PolarHBondContact O-N 3.38Å; N115-K118 CarbonylContact O-C 3.59Å; N115-K118 WeakPolarHBondContact O-CB 3.48Å; N115-K118 PolarHBondContact O-N 3.01Å; N115-Q119 WeakPolarHBondContact O-CG 3.45Å; N115-Q119 PolarHBondContact O-N 2.94Å; N115-Q119 PolarHBondContact OD1-NE2 2.8Å
116E88.9Confident89.7Confident52 Ų5279 Ų7924%0.24338%0.383CS..Hα-helixtrans-56.6-43.7172-72.3-173.7-17900111.1V112 E113 K118 Q119 R120V112-E116 HydrophobicContact CG1-CG 4.43Å; V112-E116 WeakPolarHBondContact O-CG 3.48Å; V112-E116 PolarHBondContact O-N 3.25Å; E113-E116 PolarHBondContact O-N 2.69Å; E116-K118 PolarHBondContact O-N 3.21Å; E116-Q119 CarbonylContact O-C 3.59Å; E116-Q119 PolarHBondContact O-N 3.41Å; E116-Q119 VanDerWaalsContact O-N 3.11Å; E116-R120 VanDerWaalsContact CB-NH1 3.33Å; E116-R120 WeakPolarHBondContact O-CB 3.27Å; E116-R120 WeakPolarHBondContact O-CG 3.04Å; E116-R120 PolarHBondContact O-N 3.17Å; E116-R120 IonicContact OE2-CZ 3.16Å; E116-R120 IonicContact OE2-NH1 2.76Å; E116-R120 PolarHBondContact OE2-NH1 3.07Å; E116-R120 IonicContact OE2-NH2 2.79Å; E116-R120 PolarHBondContact OE2-NH2 3.05Å
117R88.7Confident89.1Confident109 Ų10984.3 Ų84.341%0.41141%0.406SS..Hα-helixtrans-60.9-45.1177.3-166.5-175.6-55.7127.60.2111.1E113 E114 N115 Q119 R120 I121E113-R117 WeakPolarHBondContact O-CB 3.42Å; E113-R117 PolarHBondContact O-N 2.92Å; E113-R117 IonicContact OE1-CZ 2.77Å; E113-R117 IonicContact OE1-NE 2.72Å; E113-R117 IonicContact OE1-NH2 3.18Å; E113-R117 PolarHBondContact OE1-NH2 3.29Å; E113-R117 IonicContact OE2-NH2 2.77Å; E114-R117 PolarHBondContact O-N 2.87Å; N115-R117 VanDerWaalsContact C-N 3.29Å; N115-R117 PolarHBondContact O-N 3.38Å; R117-Q119 VanDerWaalsContact C-N 3.3Å; R117-Q119 PolarHBondContact O-N 3.45Å; R117-R120 PolarHBondContact O-N 2.97Å; R117-I121 HydrophobicContact CG-CD1 4.38Å; R117-I121 WeakPolarHBondContact O-CD1 3.47Å; R117-I121 VanDerWaalsContact O-CG1 3.26Å; R117-I121 WeakPolarHBondContact O-CG1 3.3Å; R117-I121 PolarHBondContact O-N 3.38Å
118K91.9Very high88.2Confident97 Ų9786 Ų8642%0.42242%0.416SS..Hα-helixtrans-61.4-34172.5-76.5165.5175.2165.90112.6E114 N115 E116 K122E114-K118 WeakPolarHBondContact O-CB 3.35Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.46Å; E114-K118 PolarHBondContact O-N 3.45Å; E114-K118 WeakPolarHBondContact OE1-CE 3.34Å; E114-K118 IonicContact OE1-NZ 3.66Å; E114-K118 PolarHBondContact OE1-NZ 3.5Å; E114-K118 WeakPolarHBondContact OE2-CE 3.22Å; E114-K118 IonicContact OE2-NZ 2.72Å; E114-K118 PolarHBondContact OE2-NZ 3.08Å; N115-K118 CarbonylContact O-C 3.59Å; N115-K118 WeakPolarHBondContact O-CB 3.48Å; N115-K118 PolarHBondContact O-N 3.01Å; E116-K118 PolarHBondContact O-N 3.21Å; K118-K122 VanDerWaalsContact O-CD 3.3Å; K118-K122 WeakPolarHBondContact O-CD 2.98Å; K118-K122 WeakPolarHBondContact O-CG 3.36Å; K118-K122 PolarHBondContact O-N 2.88Å
119Q88.6Confident87Confident92 Ų9284 Ų8443%0.4342%0.418SS..Hα-helixtrans-76.5-48.2176.5-70.2179.74700112.1N115 E116 R117 I121 K122 L123N115-Q119 WeakPolarHBondContact O-CG 3.45Å; N115-Q119 PolarHBondContact O-N 2.94Å; N115-Q119 PolarHBondContact OD1-NE2 2.8Å; E116-Q119 CarbonylContact O-C 3.59Å; E116-Q119 PolarHBondContact O-N 3.41Å; E116-Q119 VanDerWaalsContact O-N 3.11Å; R117-Q119 VanDerWaalsContact C-N 3.3Å; R117-Q119 PolarHBondContact O-N 3.45Å; Q119-I121 VanDerWaalsContact C-N 3.26Å; Q119-I121 PolarHBondContact O-N 3.2Å; Q119-K122 PolarHBondContact O-N 3.15Å; Q119-L123 WeakPolarHBondContact O-CB 3.28Å; Q119-L123 WeakPolarHBondContact O-CG 3.36Å; Q119-L123 PolarHBondContact O-N 3.25Å
120R86.3Confident85.4Confident95 Ų9588.3 Ų88.336%0.35844%0.44SS..Hα-helixtrans-52.9-42.8173.8-71.7-175.5-175.8101.60.2110.8D2 E116 R117 L123 A124D2-R120 IonicContact OD2-CZ 3.91Å; D2-R120 IonicContact OD2-NH2 2.8Å; D2-R120 PolarHBondContact OD2-NH2 2.72Å; E116-R120 VanDerWaalsContact CB-NH1 3.33Å; E116-R120 WeakPolarHBondContact O-CB 3.27Å; E116-R120 WeakPolarHBondContact O-CG 3.04Å; E116-R120 PolarHBondContact O-N 3.17Å; E116-R120 IonicContact OE2-CZ 3.16Å; E116-R120 IonicContact OE2-NH1 2.76Å; E116-R120 PolarHBondContact OE2-NH1 3.07Å; E116-R120 IonicContact OE2-NH2 2.79Å; E116-R120 PolarHBondContact OE2-NH2 3.05Å; R117-R120 PolarHBondContact O-N 2.97Å; R120-L123 PolarHBondContact O-N 2.77Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.39Å
121I89Confident83.7Confident121 Ų12190.8 Ų90.862%0.62145%0.452SS*.Hα-helixtrans-64.5-42.7175.3-68.4165.2000112.6R117 Q119 L123R117-I121 HydrophobicContact CG-CD1 4.38Å; R117-I121 WeakPolarHBondContact O-CD1 3.47Å; R117-I121 VanDerWaalsContact O-CG1 3.26Å; R117-I121 WeakPolarHBondContact O-CG1 3.3Å; R117-I121 PolarHBondContact O-N 3.38Å; Q119-I121 VanDerWaalsContact C-N 3.26Å; Q119-I121 PolarHBondContact O-N 3.2Å; I121-L123 VanDerWaalsContact C-N 3.31Å; I121-L123 PolarHBondContact O-N 3.35Å
122K91.3Very high81.4Confident142 Ų14290.4 Ų90.462%0.61746%0.457SS*.Hα-helixtrans-66.8-31.7177-70.7163.7-170.7171.10112.8K118 Q119K118-K122 VanDerWaalsContact O-CD 3.3Å; K118-K122 WeakPolarHBondContact O-CD 2.98Å; K118-K122 WeakPolarHBondContact O-CG 3.36Å; K118-K122 PolarHBondContact O-N 2.88Å; Q119-K122 PolarHBondContact O-N 3.15Å
123L88.6Confident79.6Confident73 Ų7394 Ų9438%0.38248%0.484SS..Hα-helixtrans-91.8-21.8-175.9-67.2176.2000113.6Q119 R120 I121 P125 F126 F127 L130Q119-L123 WeakPolarHBondContact O-CB 3.28Å; Q119-L123 WeakPolarHBondContact O-CG 3.36Å; Q119-L123 PolarHBondContact O-N 3.25Å; R120-L123 PolarHBondContact O-N 2.77Å; I121-L123 VanDerWaalsContact C-N 3.31Å; I121-L123 PolarHBondContact O-N 3.35Å; L123-P125 VanDerWaalsContact C-CD 3.43Å; L123-P125 VanDerWaalsContact C-N 3.34Å; L123-F126 WeakPolarHBondContact O-CA 3.43Å; L123-F126 WeakPolarHBondContact O-CB 3.36Å; L123-F126 PolarHBondContact O-N 2.66Å; L123-F127 HydrophobicContact CB-CD2 4.33Å; L123-F127 HydrophobicContact CD2-CE2 4.44Å; L123-F127 PolarHBondContact O-N 3.07Å; L123-L130 HydrophobicContact CB-CD1 4.35Å
124A85.9Confident77.5Confident14 Ų1495.8 Ų95.812%0.11651%0.505CS..THydrogen-bonded Turntrans-50.7-39.7-18000000115R120 F126 F127 Q131R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.39Å; A124-F126 PolarHBondContact O-N 3.48Å; A124-F127 CarbonylContact O-C 3.59Å; A124-F127 PolarHBondContact O-N 2.79Å; A124-Q131 HydrophobicContact CB-CG 3.85Å
125P82.8Confident75.5Confident103 Ų10398 Ų9867%0.66953%0.526SS*.THydrogen-bonded Turntrans-66.2-20.7175.6-21.934.8000114.6L123L123-P125 VanDerWaalsContact C-CD 3.43Å; L123-P125 VanDerWaalsContact C-N 3.34Å
126F85.7Confident73.4Confident158 Ų15898.3 Ų98.369%0.69354%0.539SS*.THydrogen-bonded Turntrans-95.5-29.2178.5-61.3-82.3000112.4L123 A124L123-F126 WeakPolarHBondContact O-CA 3.43Å; L123-F126 WeakPolarHBondContact O-CB 3.36Å; L123-F126 PolarHBondContact O-N 2.66Å; A124-F126 PolarHBondContact O-N 3.48Å
127F80.8Confident71.6Confident112 Ų112100.9 Ų100.949%0.49156%0.56SS.*  trans-132.380.9-177-56.9-80.6000111.3L123 A124 S129 L130L123-F127 HydrophobicContact CB-CD2 4.33Å; L123-F127 HydrophobicContact CD2-CE2 4.44Å; L123-F127 PolarHBondContact O-N 3.07Å; A124-F127 CarbonylContact O-C 3.59Å; A124-F127 PolarHBondContact O-N 2.79Å; F127-S129 PolarHBondContact O-N 2.89Å; F127-S129 VanDerWaalsContact O-N 3.11Å; F127-L130 HydrophobicContact CB-CD1 3.74Å; F127-L130 HydrophobicContact CB-CG 3.77Å; F127-L130 HydrophobicContact CD2-CD1 4.39Å; F127-L130 HydrophobicContact CG-CD1 4.32Å; F127-L130 WeakPolarHBondContact O-CB 3.49Å; F127-L130 PolarHBondContact O-N 2.86Å
128P72.1Confident69.7Low85 Ų85102.2 Ų102.255%0.55258%0.575SS**G310 helixtrans-57.5-25.8178.5-26.635.9000114L130 Q131P128-L130 PolarHBondContact O-N 2.81Å; P128-Q131 PolarHBondContact O-N 3.28Å; P128-Q131 VanDerWaalsContact O-N 3.11Å
129S67.1Low67.8Low88 Ų88104.7 Ų104.762%0.61559%0.593SS**G310 helixtrans-58-30173.2480000113.5F127 Q131 C132F127-S129 PolarHBondContact O-N 2.89Å; F127-S129 VanDerWaalsContact O-N 3.11Å; S129-Q131 PolarHBondContact O-N 2.82Å; S129-C132 PolarHBondContact O-N 2.93Å
130L58.1Low66Low95 Ų95105 Ų10550%0.49760%0.597SS.*G310 helixtrans-72.6-11.5178.1-60.3-178.8000113.6L123 F127 P128L123-L130 HydrophobicContact CB-CD1 4.35Å; F127-L130 HydrophobicContact CB-CD1 3.74Å; F127-L130 HydrophobicContact CB-CG 3.77Å; F127-L130 HydrophobicContact CD2-CD1 4.39Å; F127-L130 HydrophobicContact CG-CD1 4.32Å; F127-L130 WeakPolarHBondContact O-CB 3.49Å; F127-L130 PolarHBondContact O-N 2.86Å; P128-L130 PolarHBondContact O-N 2.81Å
131Q56.1Low64.4Low130 Ų130106.3 Ų106.361%0.60762%0.618SS**G310 helixtrans-87.7-15.8175.6-59.4-175.5-75.700112.5A124 P128 S129 S133A124-Q131 HydrophobicContact CB-CG 3.85Å; P128-Q131 PolarHBondContact O-N 3.28Å; P128-Q131 VanDerWaalsContact O-N 3.11Å; S129-Q131 PolarHBondContact O-N 2.82Å; Q131-S133 PolarHBondContact O-N 2.72Å; Q131-S133 VanDerWaalsContact O-N 3.16Å
132C44.3Very low62.6Low97 Ų97108.4 Ų108.466%0.65562%0.623SS**  trans-87.775.2178.4-64.70000110.6S129 A134S129-C132 PolarHBondContact O-N 2.93Å; C132-A134 PolarHBondContact O-N 2.9Å
133S52.5Low60.8Low121 Ų121107.8 Ų107.885%0.84663%0.631SS**  trans-74.4-1.5175.756.80000114.4Q131Q131-S133 PolarHBondContact O-N 2.72Å; Q131-S133 VanDerWaalsContact O-N 3.16Å
134A46.9Very low59.2Low74 Ų74112.7 Ų112.761%0.61266%0.657SS**SBendtrans-81.8131.9168.700000109.9C132 A136C132-A134 PolarHBondContact O-N 2.9Å; A134-A136 PolarHBondContact O-N 2.72Å
135P48.7Very low57.9Low125 Ų125116.5 Ų116.581%0.81269%0.688SS**  trans-67.8107.117328.4-32.8000109.3
136A47.2Very low56.6Low81 Ų81119.1 Ų119.167%0.66970%0.696SS**  trans-59135.3162.600000108.6A134 L138A134-A136 PolarHBondContact O-N 2.72Å; A136-L138 PolarHBondContact O-N 2.95Å
137P50.6Low55Low106 Ų106117.5 Ų117.569%0.68870%0.701SS**  trans-54.3115.6175.9-2735.7000110.5D139P137-D139 PolarHBondContact O-N 3.36Å
138L48.8Very low53.6Low137 Ų137114.7 Ų114.772%0.71770%0.704SS**  trans-86.562.3-175.5-158.494.5000110.1A136 N140A136-L138 PolarHBondContact O-N 2.95Å; L138-N140 PolarHBondContact O-N 3.38Å
139D53Low52.7Low150 Ų150116.8 Ų116.880%0.80272%0.715SS**  trans-67.513.2-177-64.5-29.4000113.6P137P137-D139 PolarHBondContact O-N 3.36Å
140N49.8Very low52.4Low98 Ų98117.5 Ų117.552%0.52472%0.72SS.*  trans-142.791.8179.754.5-13.1000111.3L138 K142L138-N140 PolarHBondContact O-N 3.38Å; N140-K142 PolarHBondContact O-N 3.31Å
141P53.4Low52.3Low123 Ų123119.7 Ų119.780%0.79973%0.732SS**  trans-74.246.717231.5-36.1000112.7
142K51.7Low52.1Low165 Ų165116.3 Ų116.372%0.71773%0.726SS**  trans-150.8129.4-179.1-56.2175.9-177.5172.10105.1N140N140-K142 PolarHBondContact O-N 3.31Å
143T52.1Low52.5Low128 Ų128118.2 Ų118.279%0.78574%0.735SS**SBendcis-156.448.129.3-42.20000111.3
144L56.1Low52.6Low177 Ų177118 Ų11893%0.92773%0.728SS**  trans-111.9-1.2-172.9-68.7179.8000116.2
145A57.3Low53Low94 Ų94116.6 Ų116.678%0.77772%0.72SS**SBendtrans-70.4131.4163.300000109.2
146L57Low53.3Low158 Ų158116.7 Ų116.783%0.82772%0.721SS**  trans-54.1142.5159.8-70170.2000108.2G148L146-G148 PolarHBondContact O-N 2.91Å
147P51.6Low53.5Low124 Ų124122.8 Ų122.881%0.80573%0.727SS**  trans-60.8105.8178.125.2-33.3000109.1V149P147-V149 PolarHBondContact O-N 3.41Å
148G52.1Low53.7Low53 Ų53123.6 Ų123.655%0.54673%0.729SS.*  trans-59.3138.5-178.900000110.2L146 S150L146-G148 PolarHBondContact O-N 2.91Å; G148-S150 PolarHBondContact O-N 3.23Å; G148-S150 PolarHBondContact O-OG 2.83Å
149V53Low54Low128 Ų128121.9 Ų121.978%0.77673%0.725SS**G310 helixtrans-72.514.7-178.3-152.10000112.1P147 N151 A152P147-V149 PolarHBondContact O-N 3.41Å; V149-N151 PolarHBondContact O-N 2.7Å; V149-A152 HydrophobicContact CG1-CB 4.09Å; V149-A152 WeakPolarHBondContact O-CB 3.33Å; V149-A152 PolarHBondContact O-N 2.9Å; V149-A152 VanDerWaalsContact O-N 3.09Å
150S60.9Low54.4Low103 Ų103122 Ų12272%0.7272%0.724SS**G310 helixtrans-60.7-22.4177.655.10000113.9G148 A152G148-S150 PolarHBondContact O-N 3.23Å; G148-S150 PolarHBondContact O-OG 2.83Å; S150-A152 VanDerWaalsContact C-N 3.33Å
151N54.3Low54.9Low142 Ų142122.4 Ų122.476%0.75973%0.73SS**G310 helixtrans-93.69.2179.2-65.524.4000112.5V149 V153V149-N151 PolarHBondContact O-N 2.7Å; N151-V153 VanDerWaalsContact C-N 3.28Å; N151-V153 PolarHBondContact O-N 2.86Å
152A53.4Low55.1Low59 Ų59118.8 Ų118.849%0.48872%0.715SS.*  trans-67.292161.600000108.9V149 S150 V154V149-A152 HydrophobicContact CG1-CB 4.09Å; V149-A152 WeakPolarHBondContact O-CB 3.33Å; V149-A152 PolarHBondContact O-N 2.9Å; V149-A152 VanDerWaalsContact O-N 3.09Å; S150-A152 VanDerWaalsContact C-N 3.33Å; A152-V154 PolarHBondContact O-N 3.05Å
153V51.9Low55.5Low137 Ų137118.1 Ų118.183%0.8372%0.719SS**  trans-64.290165.5-179.50000107.1N151 G155N151-V153 VanDerWaalsContact C-N 3.28Å; N151-V153 PolarHBondContact O-N 2.86Å; V153-G155 PolarHBondContact O-N 2.6Å
154V54.5Low56.1Low116 Ų116116.8 Ų116.870%0.70371%0.708SS**  trans-62.296.6162.8178.50000105.4A152A152-V154 PolarHBondContact O-N 3.05Å
155G55.6Low56.6Low44 Ų44112.5 Ų112.545%0.45470%0.697SS.*  trans-50.2148.8175.100000109.8V153 R157V153-G155 PolarHBondContact O-N 2.6Å; G155-R157 PolarHBondContact O-N 3.26Å
156P54.7Low57.1Low127 Ų127114.4 Ų114.483%0.82570%0.699SS**  trans-46104.8-15918.2-33.1000110.8V158P156-V158 PolarHBondContact O-N 3.27Å
157R50.8Low57.8Low210 Ų210113.9 Ų113.979%0.79269%0.692SS**  trans-60107.5179.9178.6176.9-176.7162.20.5105.4G155 T159G155-R157 PolarHBondContact O-N 3.26Å; R157-T159 PolarHBondContact O-N 3.23Å
158V55.9Low58.7Low122 Ų122115.2 Ų115.274%0.73969%0.686SS**  trans-62.895.7178.2-177.70000106.2P156 I160P156-V158 PolarHBondContact O-N 3.27Å; V158-I160 HydrophobicContact CG1-CG1 4Å; V158-I160 PolarHBondContact O-N 3.48Å
159T55.1Low59.8Low102 Ų102119.9 Ų119.963%0.62670%0.698SS**  trans-69.289171.446.60000105.4R157 T161R157-T159 PolarHBondContact O-N 3.23Å; T159-T161 PolarHBondContact O-N 2.94Å
160I59.9Low60.9Low151 Ų151119.5 Ų119.577%0.77470%0.698SS**  trans-67.278.4164.5-55.3176.4000105.4V158 G162V158-I160 HydrophobicContact CG1-CG1 4Å; V158-I160 PolarHBondContact O-N 3.48Å; I160-G162 PolarHBondContact O-N 3.37Å
161T60.3Low61.6Low107 Ų107122.7 Ų122.766%0.65671%0.707SS**  trans-67.279165.451.70000105.9T159 N163T159-T161 PolarHBondContact O-N 2.94Å; T161-N163 PolarHBondContact O-N 3.45Å; T161-N163 PolarHBondContact O-OD1 2.8Å; T161-N163 VanDerWaalsContact O-OD1 3.06Å
162G58.6Low62.7Low48 Ų48119.2 Ų119.250%0.49571%0.705SS.*  trans-61.9121.1173.300000107.6I160 N164I160-G162 PolarHBondContact O-N 3.37Å; G162-N164 PolarHBondContact O-N 3.32Å
163N60.2Low64Low150 Ų150123.1 Ų123.180%0.80272%0.723SS**SBendtrans-67.422.3-173.3-66-3000114.3T161 A165T161-N163 PolarHBondContact O-N 3.45Å; T161-N163 PolarHBondContact O-OD1 2.8Å; T161-N163 VanDerWaalsContact O-OD1 3.06Å; N163-A165 PolarHBondContact O-N 2.89Å
164N64Low65.4Low101 Ų101121.9 Ų121.954%0.5472%0.721SS.*  trans-77.753.3176.8-76.3-7.6000111.9G162 V166 H167G162-N164 PolarHBondContact O-N 3.32Å; N164-V166 PolarHBondContact O-N 2.89Å; N164-H167 PolarHBondContact O-N 2.89Å
165A66.9Low66.7Low86 Ų86121.4 Ų121.471%0.71171%0.711SS**THydrogen-bonded Turntrans-60.7-6175.200000114.1N163N163-A165 PolarHBondContact O-N 2.89Å
166V68.3Low68.2Low134 Ų134122.8 Ų122.881%0.81271%0.711SS**THydrogen-bonded Turntrans-83.1-21174.7-177.20000112.5N164N164-V166 PolarHBondContact O-N 2.89Å
167H71.9Confident69.8Low147 Ų147126.7 Ų126.768%0.68171%0.709SS**THydrogen-bonded Turntrans-106.7-6.6-174.9-69.8-55.3000114.7N164N164-H167 PolarHBondContact O-N 2.89Å
168F70.4Confident71.6Confident153 Ų153124.3 Ų124.367%0.67171%0.707SS**SBendtrans-123.3146.1178-59.4-73.2000109.5
169N75.5Confident73.2Confident151 Ų151122.8 Ų122.881%0.80769%0.691SS**  trans-58.1138.6167.9-64.5-23.1000108.3D171N169-D171 PolarHBondContact O-N 3.34Å
170P76.2Confident74.7Confident120 Ų120121.8 Ų121.878%0.77968%0.682SS**  trans-60138.2179.325.6-34.4000110.3G172P170-G172 PolarHBondContact O-N 3.1Å; P170-G172 VanDerWaalsContact O-N 3.07Å
171D75.1Confident75.9Confident169 Ų169119.2 Ų119.290%0.90467%0.669SS**  trans-57115.3178.6-71.2-44000109.9N169N169-D171 PolarHBondContact O-N 3.34Å
172G77.7Confident77.2Confident70 Ų70118.6 Ų118.672%0.72266%0.659SS**PPolyproline II helixtrans-66.9144.7-177.100000111.8P170 S174P170-G172 PolarHBondContact O-N 3.1Å; P170-G172 VanDerWaalsContact O-N 3.07Å; G172-S174 PolarHBondContact O-N 2.79Å
173T80.9Confident78.4Confident140 Ų140121.4 Ų121.486%0.85966%0.658SS**PPolyproline II helixtrans-55.8125.9171.748.30000110.2Q175T173-Q175 PolarHBondContact O-N 2.77Å
174S81Confident79.4Confident112 Ų112120.9 Ų120.978%0.78365%0.654SS**PPolyproline II helixtrans-56.7121.4172.455.20000109.7G172 T176G172-S174 PolarHBondContact O-N 2.79Å; S174-T176 PolarHBondContact O-N 2.73Å
175Q82.2Confident80.2Confident105 Ų105120.1 Ų120.149%0.49166%0.657SS.*PPolyproline II helixtrans-51.8136.8179.4-67.5178.3-11.600110.5T173 F183T173-Q175 PolarHBondContact O-N 2.77Å; Q175-F183 HydrophobicContact CG-CE2 4.39Å; Q175-F183 VanDerWaalsContact NE2-CE2 3.32Å
176T87.3Confident81Confident74 Ų74121 Ų12145%0.45464%0.644SS.*PPolyproline II helixtrans-62.9157.6173.163.40000110.2S174 E178 E179 L180S174-T176 PolarHBondContact O-N 2.73Å; T176-E178 PolarHBondContact O-N 2.85Å; T176-E179 VanDerWaalsContact CB-OE2 3.3Å; T176-E179 WeakPolarHBondContact CB-OE2 3.35Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.42Å; T176-E179 PolarHBondContact N-OE2 3.33Å; T176-E179 PolarHBondContact O-N 2.99Å; T176-E179 WeakPolarHBondContact OG1-CB 3.34Å; T176-E179 VanDerWaalsContact OG1-CD 3.28Å; T176-E179 VanDerWaalsContact OG1-CG 3.22Å; T176-E179 WeakPolarHBondContact OG1-CG 3.43Å; T176-E179 PolarHBondContact OG1-N 3.4Å; T176-E179 PolarHBondContact OG1-OE2 3.49Å; T176-L180 WeakPolarHBondContact O-CB 3.37Å; T176-L180 PolarHBondContact O-N 2.97Å
177R88.1Confident81.4Confident209 Ų209120 Ų12079%0.78963%0.631SS**Hα-helixtrans-57.8-32176.4-177.9176.3177.5173.4-0.5112.2L181R177-L181 HydrophobicContact CG-CD1 4.25Å; R177-L181 WeakPolarHBondContact O-CB 3.26Å; R177-L181 VanDerWaalsContact O-CG 3.25Å; R177-L181 WeakPolarHBondContact O-CG 3.29Å; R177-L181 PolarHBondContact O-N 3.07Å; R177-L181 VanDerWaalsContact O-N 3.07Å
178E89Confident81.8Confident160 Ų160121.9 Ų121.975%0.74863%0.632SS**Hα-helixtrans-75.2-47.9-178.9-67.2174.8-166.200111.2T176 L180 L181 E182T176-E178 PolarHBondContact O-N 2.85Å; E178-L180 VanDerWaalsContact C-N 3.31Å; E178-L180 PolarHBondContact O-N 2.8Å; E178-L181 PolarHBondContact O-N 2.63Å; E178-E182 WeakPolarHBondContact O-CB 3.37Å; E178-E182 PolarHBondContact O-N 2.97Å
179E89.3Confident82.3Confident89 Ų89121.6 Ų121.642%0.41663%0.631SS.*Hα-helixtrans-57.9-42.8171.5-70.2163.7127.100111.6T176 L181 E182 F183T176-E179 VanDerWaalsContact CB-OE2 3.3Å; T176-E179 WeakPolarHBondContact CB-OE2 3.35Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.42Å; T176-E179 PolarHBondContact N-OE2 3.33Å; T176-E179 PolarHBondContact O-N 2.99Å; T176-E179 WeakPolarHBondContact OG1-CB 3.34Å; T176-E179 VanDerWaalsContact OG1-CD 3.28Å; T176-E179 VanDerWaalsContact OG1-CG 3.22Å; T176-E179 WeakPolarHBondContact OG1-CG 3.43Å; T176-E179 PolarHBondContact OG1-N 3.4Å; T176-E179 PolarHBondContact OG1-OE2 3.49Å; E179-L181 PolarHBondContact O-N 2.86Å; E179-E182 CarbonylContact O-C 3.57Å; E179-E182 WeakPolarHBondContact O-CB 3.45Å; E179-E182 PolarHBondContact O-N 3.49Å; E179-E182 VanDerWaalsContact O-N 3.15Å; E179-F183 HydrophobicContact CB-CD2 4.35Å; E179-F183 HydrophobicContact CB-CE2 4.19Å; E179-F183 WeakPolarHBondContact O-CD2 3Å; E179-F183 PolarHBondContact O-N 2.88Å
180L86.3Confident82.6Confident81 Ų81118.1 Ų118.142%0.42461%0.611SS.*Hα-helixtrans-65.2-38.4179.3-175.2140.1000112.2T176 E178 L184T176-L180 WeakPolarHBondContact O-CB 3.37Å; T176-L180 PolarHBondContact O-N 2.97Å; E178-L180 VanDerWaalsContact C-N 3.31Å; E178-L180 PolarHBondContact O-N 2.8Å; L180-L184 HydrophobicContact CD2-CD1 3.79Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.84Å
181L85.8Confident82.9Confident98 Ų98115.9 Ų115.951%0.51360%0.595SS.*Hα-helixtrans-66.3-38.6171-74.7168.4000111.7R177 E178 E179 L184 S185R177-L181 HydrophobicContact CG-CD1 4.25Å; R177-L181 WeakPolarHBondContact O-CB 3.26Å; R177-L181 VanDerWaalsContact O-CG 3.25Å; R177-L181 WeakPolarHBondContact O-CG 3.29Å; R177-L181 PolarHBondContact O-N 3.07Å; R177-L181 VanDerWaalsContact O-N 3.07Å; E178-L181 PolarHBondContact O-N 2.63Å; E179-L181 PolarHBondContact O-N 2.86Å; L181-L184 PolarHBondContact O-N 3.09Å; L181-S185 WeakPolarHBondContact O-CB 3.45Å; L181-S185 PolarHBondContact O-N 3.36Å
182E87.4Confident82.9Confident93 Ų93111.2 Ų111.244%0.43558%0.575SS.*Hα-helixtrans-64.6-45.2176.3-156-150.4175.600111.2E178 E179 L184 S185 K186E178-E182 WeakPolarHBondContact O-CB 3.37Å; E178-E182 PolarHBondContact O-N 2.97Å; E179-E182 CarbonylContact O-C 3.57Å; E179-E182 WeakPolarHBondContact O-CB 3.45Å; E179-E182 PolarHBondContact O-N 3.49Å; E179-E182 VanDerWaalsContact O-N 3.15Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.23Å; E182-S185 PolarHBondContact O-N 2.85Å; E182-S185 VanDerWaalsContact O-N 3.07Å; E182-S185 PolarHBondContact O-OG 3Å; E182-K186 HydrophobicContact CG-CD 4.4Å; E182-K186 VanDerWaalsContact O-CG 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.3Å; E182-K186 PolarHBondContact O-N 2.94Å; E182-K186 WeakPolarHBondContact OE1-CE 3.49Å; E182-K186 IonicContact OE1-NZ 3.98Å; E182-K186 PolarHBondContact OE1-NZ 3.26Å; E182-K186 IonicContact OE2-NZ 3.64Å; E182-K186 PolarHBondContact OE2-NZ 2.8Å
183F82.8Confident82.9Confident108 Ų108112.3 Ų112.347%0.47457%0.568SS.*Hα-helixtrans-59.6-37.4173.7-77.1-60.1000112.6Q175 E179Q175-F183 HydrophobicContact CG-CE2 4.39Å; Q175-F183 VanDerWaalsContact NE2-CE2 3.32Å; E179-F183 HydrophobicContact CB-CD2 4.35Å; E179-F183 HydrophobicContact CB-CE2 4.19Å; E179-F183 WeakPolarHBondContact O-CD2 3Å; E179-F183 PolarHBondContact O-N 2.88Å
184L81.1Confident83Confident138 Ų138112 Ų11272%0.72356%0.561SS**Hα-helixtrans-71.9-26.9174.2-71.1170.2000113.2L180 L181 E182L180-L184 HydrophobicContact CD2-CD1 3.79Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.84Å; L181-L184 PolarHBondContact O-N 3.09Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.23Å
185S81.4Confident82.7Confident85 Ų85109.6 Ų109.659%0.59454%0.542SS*.Hα-helixtrans-81.6-24.3176.8790000113.9L181 E182 E187L181-S185 WeakPolarHBondContact O-CB 3.45Å; L181-S185 PolarHBondContact O-N 3.36Å; E182-S185 PolarHBondContact O-N 2.85Å; E182-S185 VanDerWaalsContact O-N 3.07Å; E182-S185 PolarHBondContact O-OG 3Å; S185-E187 PolarHBondContact O-N 3.17Å
186K82.8Confident82.3Confident105 Ų105115.4 Ų115.446%0.45756%0.56SS.*SBendtrans-7493.4-177.9-80.3164.7171.2168.40110.7E182E182-K186 HydrophobicContact CG-CD 4.4Å; E182-K186 VanDerWaalsContact O-CG 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.3Å; E182-K186 PolarHBondContact O-N 2.94Å; E182-K186 WeakPolarHBondContact OE1-CE 3.49Å; E182-K186 IonicContact OE1-NZ 3.98Å; E182-K186 PolarHBondContact OE1-NZ 3.26Å; E182-K186 IonicContact OE2-NZ 3.64Å; E182-K186 PolarHBondContact OE2-NZ 2.8Å
187E77.7Confident81.3Confident112 Ų112118.1 Ų118.152%0.52357%0.565SS.*  trans-50.2141168.9-72.5-168.2165.800110.8K95 S185 K189K95-E187 IonicContact NZ-OE1 3.17Å; K95-E187 PolarHBondContact NZ-OE1 3.19Å; K95-E187 IonicContact NZ-OE2 3.84Å; S185-E187 PolarHBondContact O-N 3.17Å; E187-K189 PolarHBondContact O-N 3.46Å; E187-K189 VanDerWaalsContact O-N 3.17Å
188R80.4Confident80.2Confident188 Ų188115.7 Ų115.771%0.70956%0.56SS**  trans-67.7113.5-179.6-70.5174.268.1-155.49.3110.4D94D94-R188 IonicContact OD1-NH1 2.68Å; D94-R188 WeakPolarHBondContact OD2-CD 3.49Å; D94-R188 IonicContact OD2-CZ 3.56Å; D94-R188 IonicContact OD2-NE 2.72Å; D94-R188 IonicContact OD2-NH1 3.53Å; D94-R188 PolarHBondContact OD2-NH1 2.91Å
189K80.4Confident78.8Confident147 Ų147118 Ų11864%0.63956%0.562SS**  trans-100133.4178.2-61-167.8177.1-161.10111.9S80 E187S80-K189 PolarHBondContact OG-NZ 3.03Å; S80-K189 VanDerWaalsContact OG-NZ 3.15Å; E187-K189 PolarHBondContact O-N 3.46Å; E187-K189 VanDerWaalsContact O-N 3.17Å
190I82.1Confident77.3Confident78 Ų78117.5 Ų117.540%0.457%0.567SS.*  trans-93105.3179.1-64.6162.5000109D50 F51 S192D50-I190 HydrophobicContact CB-CD1 3.79Å; D50-I190 WeakPolarHBondContact O-CG2 3.47Å; F51-I190 HydrophobicContact CD2-CD1 4.25Å; F51-I190 HydrophobicContact CE1-CD1 4.04Å; F51-I190 HydrophobicContact CE2-CD1 3.55Å; F51-I190 HydrophobicContact CZ-CD1 3.43Å; F51-I190 VanDerWaalsContact CZ-CD1 3.43Å; F51-I190 HydrophobicContact CZ-CG1 4.37Å; I190-S192 PolarHBondContact O-N 2.85Å
191V82.1Confident75.9Confident73 Ų73121.5 Ų121.544%0.44258%0.581SS.*  trans-98.288.5-175.3-177.70000110T193 N194V191-T193 WeakPolarHBondContact CG1-OG1 3.45Å; V191-T193 PolarHBondContact O-N 3.42Å; V191-N194 HydrophobicContact CG1-CB 4.31Å; V191-N194 WeakPolarHBondContact O-CB 3.42Å; V191-N194 PolarHBondContact O-N 3.49Å; V191-N194 VanDerWaalsContact O-N 3.07Å
192S75.1Confident74.5Confident70 Ų70120.9 Ų120.949%0.4958%0.583SS.*G310 helixtrans-59.5-20.1-177.2-176.70000114.1I190 N194 T195I190-S192 PolarHBondContact O-N 2.85Å; S192-N194 VanDerWaalsContact C-N 3.28Å; S192-N194 PolarHBondContact O-N 3.27Å; S192-T195 WeakPolarHBondContact O-CG2 3.4Å
193T78.4Confident73Confident93 Ų93121 Ų12157%0.57159%0.59SS**G310 helixtrans-70.9-23.217747.70000113.4V191 K198V191-T193 WeakPolarHBondContact CG1-OG1 3.45Å; V191-T193 PolarHBondContact O-N 3.42Å; T193-K198 PolarHBondContact O-NZ 2.79Å
194N82.6Confident71.8Confident133 Ų133122.6 Ų122.671%0.71160%0.603SS**G310 helixtrans-81.8-9.4-175.3-70-4.4000114.1V191 S192V191-N194 HydrophobicContact CG1-CB 4.31Å; V191-N194 WeakPolarHBondContact O-CB 3.42Å; V191-N194 PolarHBondContact O-N 3.49Å; V191-N194 VanDerWaalsContact O-N 3.07Å; S192-N194 VanDerWaalsContact C-N 3.28Å; S192-N194 PolarHBondContact O-N 3.27Å
195T75.6Confident70.5Confident63 Ų63120.1 Ų120.139%0.38759%0.59SS.*SBendtrans-74.6138.8172.5-172.50000111.4S192 F197S192-T195 WeakPolarHBondContact O-CG2 3.4Å; T195-F197 HydrophobicContact CG2-CB 4.38Å; T195-F197 PolarHBondContact O-N 2.93Å; T195-F197 WeakPolarHBondContact OG1-CD2 3.2Å; T195-F197 PolarHBondContact OG1-N 3.19Å
196R73.5Confident69.2Low227 Ų227121 Ų12186%0.85759%0.585SS**SBendtrans-63.8-21.4172.5-162.8175.774.4146.50.8111.9K198R196-K198 PolarHBondContact O-N 3.38Å; R196-K198 VanDerWaalsContact O-N 3.1Å
197F65Low68Low130 Ų130123.8 Ų123.857%0.5760%0.597SS**  trans-81.981.2-179.5-61.3-73.3000112T195 R199 P200T195-F197 HydrophobicContact CG2-CB 4.38Å; T195-F197 PolarHBondContact O-N 2.93Å; T195-F197 WeakPolarHBondContact OG1-CD2 3.2Å; T195-F197 PolarHBondContact OG1-N 3.19Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 2.91Å; F197-P200 HydrophobicContact CB-CB 4.37Å; F197-P200 HydrophobicContact CB-CG 4.48Å
198K64.8Low67Low158 Ų158127 Ų12769%0.68761%0.609SS**SBendtrans-68.380.5170.6-60.6-59.8-173.3-168.50110.8T193 R196T193-K198 PolarHBondContact O-NZ 2.79Å; R196-K198 PolarHBondContact O-N 3.38Å; R196-K198 VanDerWaalsContact O-N 3.1Å
199R60.8Low65.9Low209 Ų209124.8 Ų124.879%0.78960%0.601SS**  trans61.194-170.3-60.9-175.7-179.5122.2-0.5113.2F197 F201F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 2.91Å; R199-F201 VanDerWaalsContact C-N 3.25Å; R199-F201 PolarHBondContact O-N 3.28Å
200P57.7Low64.8Low79 Ų79121.5 Ų121.551%0.51359%0.594SS.*SBendtrans-66.7-20.7-17924.9-32.3000114.6F197F197-P200 HydrophobicContact CB-CB 4.37Å; F197-P200 HydrophobicContact CB-CG 4.48Å
201F55.6Low63.8Low165 Ų165123.8 Ų123.872%0.72460%0.604SS**  trans-129.7107.6-175.5-57.7-67.8000113.1R199 V203R199-F201 VanDerWaalsContact C-N 3.25Å; R199-F201 PolarHBondContact O-N 3.28Å; F201-V203 PolarHBondContact O-N 3.21Å; F201-V203 VanDerWaalsContact O-N 3.1Å
202P56.4Low62.6Low84 Ų84128 Ų12855%0.54562%0.616SS.*  trans-77.688.116631.2-32.4000110N204 L205P202-N204 PolarHBondContact O-N 3.41Å; P202-L205 HydrophobicContact CB-CD1 4.19Å; P202-L205 HydrophobicContact CG-CB 4.42Å; P202-L205 HydrophobicContact CG-CD1 3.86Å; P202-L205 PolarHBondContact O-N 3.19Å
203V57.4Low61.8Low95 Ų95131.6 Ų131.658%0.57663%0.625SS**THydrogen-bonded Turntrans-46.8-27.7-174.9-175.20000114.4F201F201-V203 PolarHBondContact O-N 3.21Å; F201-V203 VanDerWaalsContact O-N 3.1Å
204N57.3Low60.7Low142 Ų142133 Ų13376%0.75963%0.628SS**THydrogen-bonded Turntrans-86-4.8-177.9-108.4-36.2000116.2P202P202-N204 PolarHBondContact O-N 3.41Å
205L54Low59.3Low86 Ų86131.8 Ų131.845%0.4562%0.621SS.*SBendtrans-85.8-30.8-178.9-94.7167000114.1P202 K208 R209P202-L205 HydrophobicContact CB-CD1 4.19Å; P202-L205 HydrophobicContact CG-CB 4.42Å; P202-L205 HydrophobicContact CG-CD1 3.86Å; P202-L205 PolarHBondContact O-N 3.19Å; L205-K208 PolarHBondContact O-N 3.16Å; L205-R209 PolarHBondContact O-N 3.4Å
206E54Low58.3Low105 Ų105131.5 Ų131.549%0.49163%0.625SS.*Hα-helixtrans-69.8-39.3-174.9-72.8-49.6112.100113.3K208 R209 T210E206-K208 PolarHBondContact O-N 2.69Å; E206-R209 PolarHBondContact O-N 3Å; E206-T210 HydrophobicContact CB-CG2 4.45Å; E206-T210 WeakPolarHBondContact O-CG2 3.34Å; E206-T210 PolarHBondContact O-N 2.87Å; E206-T210 PolarHBondContact O-OG1 2.85Å; E206-T210 VanDerWaalsContact O-OG1 3.04Å
207K56.6Low57.5Low163 Ų163124.6 Ų124.671%0.70962%0.617SS**Hα-helixtrans-55.9-27.9-179.9-68.2-175.7178.2-179.70113.9
208K56.6Low57Low178 Ų178127.1 Ų127.177%0.77463%0.628SS**Hα-helixtrans-94.3-23.5173-73.6-173177.2-179.80113.9L205 E206 K212L205-K208 PolarHBondContact O-N 3.16Å; E206-K208 PolarHBondContact O-N 2.69Å; K208-K212 WeakPolarHBondContact O-CB 3.38Å
209R58Low56.5Low142 Ų142125.8 Ų125.854%0.53663%0.627SS.*Hα-helixtrans-76.9-48175.1-82.1-172.3149.6113.40.4112.4L205 E206 M211 K212 H213L205-R209 PolarHBondContact O-N 3.4Å; E206-R209 PolarHBondContact O-N 3Å; R209-M211 PolarHBondContact O-N 3.05Å; R209-K212 PolarHBondContact O-N 2.76Å; R209-K212 VanDerWaalsContact O-N 3.13Å; R209-H213 PolarHBondContact O-N 3.1Å
210T57.9Low56Low79 Ų79119 Ų11949%0.48562%0.622SS.*Hα-helixtrans-60.4-46.5-178.856.60000111.7E206 K212 H213 L214E206-T210 HydrophobicContact CB-CG2 4.45Å; E206-T210 WeakPolarHBondContact O-CG2 3.34Å; E206-T210 PolarHBondContact O-N 2.87Å; E206-T210 PolarHBondContact O-OG1 2.85Å; E206-T210 VanDerWaalsContact O-OG1 3.04Å; T210-K212 VanDerWaalsContact C-N 3.31Å; T210-K212 PolarHBondContact O-N 3.32Å; T210-H213 PolarHBondContact O-N 3.23Å; T210-L214 WeakPolarHBondContact O-CB 3.34Å; T210-L214 PolarHBondContact O-N 3.17Å
211M59.4Low55.8Low126 Ų126126 Ų12662%0.62164%0.638SS**Hα-helixtrans-58.5-41.2174.3-178.5177.6-78.500112.3R209 L214 L215R209-M211 PolarHBondContact O-N 3.05Å; M211-L214 PolarHBondContact O-N 3.03Å; M211-L215 HydrophobicContact CG-CD1 4.3Å; M211-L215 WeakPolarHBondContact O-CG 3.48Å; M211-L215 PolarHBondContact O-N 3.24Å
212K57.8Low55.5Low161 Ų161123.8 Ų123.870%0.763%0.633SS**Hα-helixtrans-72.4-33179.1-160.5170.5-173.2176.30112.4K208 R209 T210 A216K208-K212 WeakPolarHBondContact O-CB 3.38Å; R209-K212 PolarHBondContact O-N 2.76Å; R209-K212 VanDerWaalsContact O-N 3.13Å; T210-K212 VanDerWaalsContact C-N 3.31Å; T210-K212 PolarHBondContact O-N 3.32Å; K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 3.06Å
213H57.7Low55.7Low145 Ų145120.9 Ų120.967%0.67162%0.619SS**Hα-helixtrans-69.9-39.3171.9-118.1-88.3000112.2R209 T210 A216 A217R209-H213 PolarHBondContact O-N 3.1Å; T210-H213 PolarHBondContact O-N 3.23Å; H213-A216 PolarHBondContact O-N 2.87Å; H213-A217 WeakPolarHBondContact O-CB 3.16Å; H213-A217 PolarHBondContact O-N 3.36Å
214L55.3Low56Low123 Ų123125.9 Ų125.964%0.64464%0.641SS**Hα-helixtrans-66.7-37.9177.5-170.666.3000111.9T210 M211 K218T210-L214 WeakPolarHBondContact O-CB 3.34Å; T210-L214 PolarHBondContact O-N 3.17Å; M211-L214 PolarHBondContact O-N 3.03Å; L214-K218 PolarHBondContact O-N 3.5Å
215L53.2Low55.8Low107 Ų107124.3 Ų124.356%0.5663%0.633SS**Hα-helixtrans-67.5-41.8170.9-76.7165.5000112.2M211 K218 L219M211-L215 HydrophobicContact CG-CD1 4.3Å; M211-L215 WeakPolarHBondContact O-CG 3.48Å; M211-L215 PolarHBondContact O-N 3.24Å; L215-K218 PolarHBondContact O-N 3.04Å; L215-L219 PolarHBondContact O-N 3.03Å
216A56.2Low56.2Low57 Ų57123.1 Ų123.147%0.47164%0.641SS.*Hα-helixtrans-66.2-36.7176.400000112.7K212 H213 K218 L219K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 3.06Å; H213-A216 PolarHBondContact O-N 2.87Å; A216-K218 VanDerWaalsContact C-N 3.25Å; A216-K218 PolarHBondContact O-N 2.64Å; A216-L219 CarbonylContact O-C 3.47Å; A216-L219 PolarHBondContact O-N 2.77Å
217A55.8Low56.4Low82 Ų82123.3 Ų123.368%0.67865%0.645SS**Hα-helixtrans-67.5-23176.900000113.3H213H213-A217 WeakPolarHBondContact O-CB 3.16Å; H213-A217 PolarHBondContact O-N 3.36Å
218K54.9Low56.5Low183 Ų183123.6 Ų123.680%0.79665%0.649SS**THydrogen-bonded Turntrans-85.1-8.8170.7-80-165.8170.4-170.20114.2L214 L215 A216L214-K218 PolarHBondContact O-N 3.5Å; L215-K218 PolarHBondContact O-N 3.04Å; A216-K218 VanDerWaalsContact C-N 3.25Å; A216-K218 PolarHBondContact O-N 2.64Å
219L53.4Low56.4Low130 Ų130120.6 Ų120.668%0.68164%0.639SS**SBendtrans-119.677.8-177.7-71.1170.7000109.9L215 A216 R221L215-L219 PolarHBondContact O-N 3.03Å; A216-L219 CarbonylContact O-C 3.47Å; A216-L219 PolarHBondContact O-N 2.77Å; L219-R221 PolarHBondContact O-N 3.5Å
220G50.6Low56.1Low66 Ų66120.1 Ų120.168%0.6865%0.647SS**  trans-53.7127.6176.500000111.8I222G220-I222 PolarHBondContact O-N 2.9Å
221R53.5Low55.9Low226 Ų226120.4 Ų120.485%0.85365%0.652SS**  trans-80.781.4-178.6-72.6-175.3176179.1-1.7111.2L219L219-R221 PolarHBondContact O-N 3.5Å
222I49.7Very low55.8Low119 Ų119120.2 Ų120.261%0.6166%0.66SS**BIsolated β-bridgetrans-70.2129.3165.3-56.8169.7000107.9G220G220-I222 PolarHBondContact O-N 2.9Å
223G60.1Low55.9Low24 Ų24122.5 Ų122.525%0.24767%0.666CS.*  trans-73.6163.7176.600000113N225 G226 L227G223-N225 PolarHBondContact O-N 3.27Å; G223-G226 PolarHBondContact O-N 3.27Å; G223-L227 PolarHBondContact N-O 2.95Å
224L63.2Low55.8Low199 Ų199118.5 Ų118.5100%1.04266%0.664SS**THydrogen-bonded Turntrans-58.5-13.7172.2-77.9163.4000113.6
225N54.2Low56Low110 Ų110115.2 Ų115.259%0.58865%0.649SS**THydrogen-bonded Turntrans-99.412176.357.5-36.1000113.8G223 L227G223-N225 PolarHBondContact O-N 3.27Å; N225-L227 PolarHBondContact O-N 3.37Å
226G61.9Low56.6Low60 Ų60114.2 Ų114.262%0.61965%0.649SS**SBendtrans72.36.5170.900000116.4G223G223-G226 PolarHBondContact O-N 3.27Å
227L59.5Low57.2Low110 Ų110118 Ų11858%0.57666%0.657SS**  trans-107.4145179.6-68.8169.8000111.2G223 N225 M229G223-L227 PolarHBondContact N-O 2.95Å; N225-L227 PolarHBondContact O-N 3.37Å; L227-M229 PolarHBondContact O-N 2.68Å
228E57.6Low57.4Low169 Ų169116.6 Ų116.679%0.7965%0.645SS**BIsolated β-bridgetrans-74.7119.5178-63-173.1169.900110.8N230E228-N230 PolarHBondContact O-N 2.89Å
229M55.2Low57.8Low114 Ų114113.7 Ų113.756%0.56265%0.648SS**  trans-95.393.1-178.5-83.4-71.9103.600112.4L227L227-M229 PolarHBondContact O-N 2.68Å
230N51.4Low58.8Low133 Ų133110.6 Ų110.671%0.71165%0.647SS**  trans59.7124.7157.9-62.8-25.5000118.2E228E228-N230 PolarHBondContact O-N 2.89Å
231S52.6Low59.6Low84 Ų84116.2 Ų116.259%0.58765%0.649SS**  trans-48.9141.5170.3176.40000112.5Y233 G234S231-Y233 PolarHBondContact O-N 3.07Å; S231-G234 PolarHBondContact O-N 3.49Å
232P57.8Low60.4Low122 Ų122111.3 Ų111.379%0.79263%0.634SS**THydrogen-bonded Turntrans-6710.1-172.728.2-37.4000116
233Y60.1Low61.3Low210 Ų210111.1 Ų111.182%0.82463%0.629SS**THydrogen-bonded Turntrans-108.64.6177.1-61.4-79.5000113.6S231 T235S231-Y233 PolarHBondContact O-N 3.07Å; Y233-T235 PolarHBondContact O-N 2.71Å
234G55.8Low61.6Low61 Ų61117.8 Ų117.863%0.62966%0.658SS**PPolyproline II helixtrans-72.8117176.400000112.8S231S231-G234 PolarHBondContact O-N 3.49Å
235T58.7Low61.5Low53 Ų53113.6 Ų113.633%0.32564%0.637SS.*PPolyproline II helixtrans-63142.7168.131.20000111Y233 K242Y233-T235 PolarHBondContact O-N 2.71Å; T235-K242 WeakPolarHBondContact OG1-CE 3.4Å
236P65.9Low61.8Low87 Ų87114.5 Ų114.557%0.56565%0.652SS**PPolyproline II helixtrans-64161-174.520.9-28.6000112.9F243P236-F243 HydrophobicContact CB-CD2 4.36Å; P236-F243 HydrophobicContact CB-CE2 4.2Å; P236-F243 HydrophobicContact CG-CD2 3.86Å; P236-F243 HydrophobicContact CG-CE2 3.92Å; P236-F243 WeakPolarHBondContact O-CD2 3.47Å; P236-F243 PolarHBondContact O-N 3.31Å
237Q69Low61.4Low137 Ų137115 Ų11564%0.6465%0.646SS**EExtended strand (participates in β ladder)trans-117.4143.8176.7-66-178.8-46.300110.4Y241 K242Q237-Y241 CarbonylContact C-O 3.55Å; Q237-Y241 VanDerWaalsContact CA-O 3.22Å; Q237-Y241 WeakPolarHBondContact CA-O 3.48Å; Q237-K242 HydrophobicContact CG-CB 4.2Å
238A59.8Low61Low51 Ų51116.2 Ų116.242%0.42166%0.66SS.*EExtended strand (participates in β ladder)trans-131.4130.6174.800000109.4G240 Y241 F243A238-G240 PolarHBondContact O-N 3.14Å; A238-G240 VanDerWaalsContact O-N 3.1Å; A238-Y241 PolarHBondContact N-O 2.82Å; A238-Y241 PolarHBondContact O-N 3.44Å; A238-F243 HydrophobicContact CB-CZ 4.01Å
239S64Low60.7Low123 Ų123111.1 Ų111.186%0.8664%0.643SS**THydrogen-bonded Turntrans47.635.8-175.3-62.50000114.9Y241S239-Y241 VanDerWaalsContact C-N 3.32Å; S239-Y241 VanDerWaalsContact O-CD2 3.29Å; S239-Y241 WeakPolarHBondContact O-CD2 3.45Å; S239-Y241 WeakPolarHBondContact O-CE2 3.27Å; S239-Y241 PolarHBondContact O-N 2.98Å
240G74.4Confident60.6Low65 Ų65110 Ų11067%0.6765%0.645SS**THydrogen-bonded Turntrans84.9-7.6-179.500000115.6A238A238-G240 PolarHBondContact O-N 3.14Å; A238-G240 VanDerWaalsContact O-N 3.1Å
241Y66.4Low60.5Low184 Ų184111.2 Ų111.272%0.72265%0.648SS**EExtended strand (participates in β ladder)trans-98.4136.7177.9-58.5-81.9000111.1Q237 A238 S239Q237-Y241 CarbonylContact C-O 3.55Å; Q237-Y241 VanDerWaalsContact CA-O 3.22Å; Q237-Y241 WeakPolarHBondContact CA-O 3.48Å; A238-Y241 PolarHBondContact N-O 2.82Å; A238-Y241 PolarHBondContact O-N 3.44Å; S239-Y241 VanDerWaalsContact C-N 3.32Å; S239-Y241 VanDerWaalsContact O-CD2 3.29Å; S239-Y241 WeakPolarHBondContact O-CD2 3.45Å; S239-Y241 WeakPolarHBondContact O-CE2 3.27Å; S239-Y241 PolarHBondContact O-N 2.98Å
242K71.1Confident60.6Low122 Ų122111.7 Ų111.753%0.5366%0.657SS.*EExtended strand (participates in β ladder)trans-79.2137.2170.5-172.5-172.5172.5-166.60108.8T235 Q237 L244T235-K242 WeakPolarHBondContact OG1-CE 3.4Å; Q237-K242 HydrophobicContact CG-CB 4.2Å; K242-L244 PolarHBondContact O-N 3.02Å
243F68.7Low60.3Low116 Ų116113.3 Ų113.351%0.50966%0.656SS.*PPolyproline II helixtrans-59.7131.5171-67-69.3000110P236 A238P236-F243 HydrophobicContact CB-CD2 4.36Å; P236-F243 HydrophobicContact CB-CE2 4.2Å; P236-F243 HydrophobicContact CG-CD2 3.86Å; P236-F243 HydrophobicContact CG-CE2 3.92Å; P236-F243 WeakPolarHBondContact O-CD2 3.47Å; P236-F243 PolarHBondContact O-N 3.31Å; A238-F243 HydrophobicContact CB-CZ 4.01Å
244L66.7Low59.7Low163 Ų163109.8 Ų109.885%0.85365%0.645SS**PPolyproline II helixtrans-62135165.8-70.2165.7000108.1K242 S246K242-L244 PolarHBondContact O-N 3.02Å; L244-S246 PolarHBondContact O-N 2.96Å
245D61.4Low59.8Low112 Ų112112 Ų11260%0.59965%0.648SS**PPolyproline II helixtrans-61.1131.4178.3-62.9-50.9000109.3S247D245-S247 PolarHBondContact O-N 3.06Å
246S59.1Low59.6Low129 Ų129117.6 Ų117.690%0.90267%0.67SS**SBendtrans-7126.5-162.2-44.50000116L244L244-S246 PolarHBondContact O-N 2.96Å
247S54.1Low58.8Low71 Ų71117.6 Ų117.650%0.49767%0.669SS.*  trans-127.9100.9-175149.10000109D245 S249D245-S247 PolarHBondContact O-N 3.06Å; S247-S249 PolarHBondContact O-N 3.13Å; S247-S249 WeakPolarHBondContact OG-CB 3.27Å; S247-S249 PolarHBondContact OG-OG 2.85Å
248P52.2Low58.7Low134 Ų134116.3 Ų116.387%0.8767%0.673SS**  trans-74.456.5168.633.4-35.3000110.7
249S49.6Very low58.8Low63 Ų63119.4 Ų119.444%0.44168%0.681SS.*  trans-82.7124.4176.6-720000109.7S247 M251 A252S247-S249 PolarHBondContact O-N 3.13Å; S247-S249 WeakPolarHBondContact OG-CB 3.27Å; S247-S249 PolarHBondContact OG-OG 2.85Å; S249-M251 PolarHBondContact O-N 2.86Å; S249-A252 PolarHBondContact O-N 3.15Å
250P53.4Low58.6Low91 Ų91119.9 Ų119.959%0.59167%0.672SS**G310 helixtrans-56.3-21.2177.2-2735.6000114.4A252 M253 L259P250-A252 PolarHBondContact O-N 3.11Å; P250-M253 PolarHBondContact O-N 3.07Å; P250-L259 HydrophobicContact CB-CD1 4.09Å
251M50.7Low58Low157 Ų157122.6 Ų122.677%0.77368%0.676SS**G310 helixtrans-48.1-27.5178.3-143.175.2164.200115S249S249-M251 PolarHBondContact O-N 2.86Å
252A52.8Low57.9Low95 Ų95125.1 Ų125.179%0.78568%0.684SS**G310 helixtrans-82.5-14.3-172.400000115.2S249 P250S249-A252 PolarHBondContact O-N 3.15Å; P250-A252 PolarHBondContact O-N 3.11Å
253M51.6Low57.1Low156 Ų156122.6 Ų122.677%0.76869%0.692SS**SBendtrans-107.5-7.3-175.2-67.7-159.2-62.700115.3P250P250-M253 PolarHBondContact O-N 3.07Å
254F48.4Very low56.9Low135 Ų135125.9 Ų125.959%0.59271%0.709SS**  trans-133.191.2-179.9-71.8-84000111.8H256 T257F254-H256 PolarHBondContact O-N 3.37Å; F254-T257 WeakPolarHBondContact CB-OG1 3.28Å
255P56.6Low56.4Low108 Ų108124.9 Ų124.970%0.70170%0.704SS**THydrogen-bonded Turntrans-712.4-179.728.7-35.1000114.6
256H55.3Low56.5Low170 Ų170127.1 Ų127.179%0.78772%0.716SS**THydrogen-bonded Turntrans-135.38.3-165.3-57.9-31.4000115.4F254F254-H256 PolarHBondContact O-N 3.37Å
257T50.4Low56.7Low87 Ų87124.5 Ų124.553%0.53470%0.697SS.*  trans-128.2109.8-179.955.20000111.7F254 L259F254-T257 WeakPolarHBondContact CB-OG1 3.28Å; T257-L259 PolarHBondContact O-N 2.85Å
258P65.9Low57.5Low111 Ų111127.3 Ų127.372%0.72171%0.712SS**  trans-67.8114.817527.5-32.6000109.9M260P258-M260 PolarHBondContact O-N 3.39Å
259L62.4Low58Low115 Ų115126.9 Ų126.960%0.60271%0.709SS**SBendtrans-72.5-26.9-164.4-170142.1000114.3P250 T257P250-L259 HydrophobicContact CB-CD1 4.09Å; T257-L259 PolarHBondContact O-N 2.85Å
260M59.6Low58.8Low134 Ų134132 Ų13266%0.6672%0.723SS**  trans-163.4111.2170.2-161.267.965.300111P258 W262P258-M260 PolarHBondContact O-N 3.39Å; M260-W262 HydrophobicContact CG-CG 4.41Å; M260-W262 PolarHBondContact O-N 2.98Å
261T62.4Low59.1Low122 Ų122135.6 Ų135.675%0.74873%0.725SS**  trans-83.785.3168.627.70000110.4G263T261-G263 PolarHBondContact O-N 3.05Å; T261-G263 VanDerWaalsContact O-N 3.1Å
262W63.4Low59.6Low237 Ų237135 Ų13590%0.89873%0.725SS**  trans-65106.4158.8-67.492.8000107.2M260M260-W262 HydrophobicContact CG-CG 4.41Å; M260-W262 PolarHBondContact O-N 2.98Å
263G53.8Low59.3Low68 Ų68136.6 Ų136.670%0.70172%0.72SS**  trans-84.4127.5-151.100000115.7T261T261-G263 PolarHBondContact O-N 3.05Å; T261-G263 VanDerWaalsContact O-N 3.1Å
264E64Low59.3Low186 Ų186136.3 Ų136.387%0.86972%0.721SS**  trans-104.9115.9138.5-176.8166.3-133.400106.6
265L56.6Low59.2Low141 Ų141134.2 Ų134.274%0.73872%0.723SS**  trans-124.469.3-174.1-137.2174.9000107.6S267L265-S267 WeakPolarHBondContact CD2-OG 3.3Å; L265-S267 PolarHBondContact O-N 2.94Å
266D64.3Low59.2Low160 Ų160139 Ų13986%0.85674%0.736SS**  trans-74.348.6-175.4-166.534.4000112.6
267S64.1Low58.8Low73 Ų73136.5 Ų136.551%0.5173%0.734SS.*SBendtrans-145.7134.4171.562.70000109.6L265L265-S267 WeakPolarHBondContact CD2-OG 3.3Å; L265-S267 PolarHBondContact O-N 2.94Å
268T70.9Confident58.5Low130 Ų130138.1 Ų138.180%0.79874%0.744SS**  trans-54.9132.6169.8460000109.6F270T268-F270 PolarHBondContact O-N 2.99Å
269P61.9Low57.5Low125 Ų125138.6 Ų138.681%0.81275%0.747SS**  trans-56.3114.7-168.120.1-33000112
270F66.9Low56.8Low170 Ų170138.6 Ų138.675%0.74676%0.756SS**  trans-70.6131.7-179-176.2-99.6000110.8T268 L272T268-F270 PolarHBondContact O-N 2.99Å; F270-L272 HydrophobicContact CD1-CD2 4.04Å; F270-L272 HydrophobicContact CD1-CG 4.33Å; F270-L272 HydrophobicContact CE1-CD2 4.19Å; F270-L272 PolarHBondContact O-N 2.82Å
271R59.2Low56.3Low167 Ų167138.3 Ų138.363%0.6376%0.762SS**  trans-76.4115.1173-68.5175.662.6105.65.1108.8D273R271-D273 VanDerWaalsContact C-N 3.26Å
272L60.9Low55.6Low146 Ų146139.6 Ų139.676%0.76477%0.769SS**  trans-79.1-10175.1-73166000113.2F270F270-L272 HydrophobicContact CD1-CD2 4.04Å; F270-L272 HydrophobicContact CD1-CG 4.33Å; F270-L272 HydrophobicContact CE1-CD2 4.19Å; F270-L272 PolarHBondContact O-N 2.82Å
273D47.1Very low54.8Low127 Ų127133.1 Ų133.168%0.67976%0.76SS**  trans-102.777.1-171.1-52.2-48.3000112.9R271R271-D273 VanDerWaalsContact C-N 3.26Å
274D51Low54.8Low150 Ų150134.2 Ų134.280%0.80277%0.771SS**  trans-152.430.8165.6-88.6-48.8000111.6
275S46.7Very low55Low91 Ų91127.9 Ų127.964%0.63676%0.755SS**  trans-130.1131.6177.6-172.70000111.1T277S275-T277 PolarHBondContact O-N 2.76Å
276E55.8Low55.4Low208 Ų208127.7 Ų127.797%0.97276%0.763SS**SBendtrans-75.823.6-163.4-55.2-176.4127.200115
277T47.3Very low55.8Low119 Ų119124.8 Ų124.873%0.7376%0.761SS**  trans-133.131.4-156.1-27.60000114.8S275S275-T277 PolarHBondContact O-N 2.76Å
278T44.5Very low56.4Low121 Ų121130.2 Ų130.274%0.74278%0.776SS**SBendtrans-130.1141.816657.30000111.9
279P45.4Very low56.6Low121 Ų121134.8 Ų134.879%0.78678%0.778SS**PPolyproline II helixtrans-77.6147.3-173.931.1-35.2000112.5V281P279-V281 PolarHBondContact O-N 3.41Å
280S47.5Very low57.6Low114 Ų114134.3 Ų134.380%0.79777%0.768SS**PPolyproline II helixtrans-49124.7177.4-170.60000112.4V282S280-V282 PolarHBondContact O-N 2.82Å
281V49.4Very low58.3Low129 Ų129131.3 Ų131.378%0.78277%0.765SS**PPolyproline II helixtrans-63.4122.6-175.8178.70000110.6P279 S283P279-V281 PolarHBondContact O-N 3.41Å; V281-S283 VanDerWaalsContact C-N 3.26Å; V281-S283 PolarHBondContact O-N 3.12Å
282V47.8Very low59.5Low148 Ų148128.5 Ų128.590%0.89777%0.771SS**SBendtrans-81.464.3-172.4-167.40000111.7S280S280-V282 PolarHBondContact O-N 2.82Å
283S46.4Very low60.9Low102 Ų102124.3 Ų124.371%0.71375%0.753SS**SBendtrans-161.4137.8160.9-164.80000111.6V281 G285V281-S283 VanDerWaalsContact C-N 3.26Å; V281-S283 PolarHBondContact O-N 3.12Å; S283-G285 PolarHBondContact O-N 2.83Å
284G52.8Low63.1Low90 Ų90121.2 Ų121.293%0.92874%0.741SS**  trans-7644-170.800000116.1
285G69.3Low65.1Low53 Ų53121.5 Ų121.555%0.54674%0.738SS.*  trans-82.5152.5175.200000113.2S283 A287S283-G285 PolarHBondContact O-N 2.83Å; G285-A287 PolarHBondContact O-N 2.73Å
286P65.6Low67.4Low138 Ų138127.4 Ų127.490%0.89675%0.746SS**  trans-72.399.6177.729.3-34.1000111.5F288P286-F288 PolarHBondContact O-N 3.34Å
287A71.6Confident69.2Low98 Ų98121.9 Ų121.981%0.8172%0.72SS**  trans-66.9128.1175.300000111.8G285 R289G285-A287 PolarHBondContact O-N 2.73Å; A287-R289 PolarHBondContact O-N 3.33Å
288F76.2Confident71.5Confident188 Ų188120.6 Ų120.683%0.82571%0.706SS**  trans-76.1107.1-179.5176.4-107.9000111.5P286 I290P286-F288 PolarHBondContact O-N 3.34Å; F288-I290 HydrophobicContact CD1-CG1 4.26Å; F288-I290 HydrophobicContact CE1-CD1 3.89Å; F288-I290 HydrophobicContact CE1-CG1 3.42Å; F288-I290 VanDerWaalsContact CE1-CG1 3.42Å; F288-I290 HydrophobicContact CZ-CD1 4.35Å; F288-I290 HydrophobicContact CZ-CG1 3.71Å
289R76.4Confident73.9Confident226 Ų226119.1 Ų119.185%0.85369%0.693SS**  trans-108111.1175.7-174.1179.2-175178.14.5110.9A287 P291A287-R289 PolarHBondContact O-N 3.33Å; R289-P291 WeakPolarHBondContact O-CD 3.46Å
290I81.2Confident76.2Confident114 Ų114116 Ų11659%0.58568%0.678SS**PPolyproline II helixtrans-68.9125.7165.7-52.6178.8000108.1F288F288-I290 HydrophobicContact CD1-CG1 4.26Å; F288-I290 HydrophobicContact CE1-CD1 3.89Å; F288-I290 HydrophobicContact CE1-CG1 3.42Å; F288-I290 VanDerWaalsContact CE1-CG1 3.42Å; F288-I290 HydrophobicContact CZ-CD1 4.35Å; F288-I290 HydrophobicContact CZ-CG1 3.71Å
291P82.9Confident78.4Confident108 Ų108116.1 Ų116.170%0.70167%0.665SS**PPolyproline II helixtrans-64.1148.5171.5-20.633.6000111.5R289R289-P291 WeakPolarHBondContact O-CD 3.46Å
292S85Confident80.7Confident107 Ų107114.6 Ų114.675%0.74865%0.65SS**PPolyproline II helixtrans-65.4145.2169.844.90000110.7
293P88.6Confident83Confident59 Ų59112.9 Ų112.938%0.38364%0.635SS.*PPolyproline II helixtrans-61.8139.9-174.824.1-34.2000111.2E297 Q298P293-E297 VanDerWaalsContact CA-OE2 3.26Å; P293-E297 WeakPolarHBondContact CA-OE2 3.19Å; P293-E297 HydrophobicContact CB-CB 4.26Å; P293-E297 HydrophobicContact CB-CG 3.8Å; P293-E297 WeakPolarHBondContact CB-OE2 3.25Å; P293-Q298 HydrophobicContact CB-CG 4.33Å; P293-Q298 HydrophobicContact CG-CG 4.14Å; P293-Q298 PolarHBondContact O-NE2 2.9Å
294S93.1Very high85.3Confident62 Ų62110.8 Ų110.843%0.43462%0.624SS.*PPolyproline II helixtrans-63.5157.2-177.266.50000112.1R296 E297 Q298S294-R296 PolarHBondContact O-N 3.11Å; S294-R296 VanDerWaalsContact O-N 3.08Å; S294-E297 PolarHBondContact N-OE2 2.68Å; S294-E297 CarbonylContact O-C 3.58Å; S294-E297 WeakPolarHBondContact O-CA 3.34Å; S294-E297 WeakPolarHBondContact O-CB 3.46Å; S294-E297 PolarHBondContact O-N 2.83Å; S294-E297 VanDerWaalsContact OG-CB 3.24Å; S294-E297 WeakPolarHBondContact OG-CB 3.26Å; S294-E297 PolarHBondContact OG-N 3.43Å; S294-E297 PolarHBondContact OG-OE2 3.46Å; S294-Q298 WeakPolarHBondContact O-CG 3.37Å; S294-Q298 PolarHBondContact O-N 3.24Å
295Q94Very high87.3Confident155 Ų155110.1 Ų110.172%0.72460%0.599SS**Hα-helixtrans-54.7-33.7177.8-168.1-173.72200112.7L299Q295-L299 WeakPolarHBondContact O-CG 3.39Å; Q295-L299 PolarHBondContact O-N 2.98Å
296R94.1Very high88.6Confident215 Ų215113.7 Ų113.781%0.81160%0.6SS**Hα-helixtrans-66.8-38.6175.3-171.7-176.9-171.8-164.82.8112.7S294 A300S294-R296 PolarHBondContact O-N 3.11Å; S294-R296 VanDerWaalsContact O-N 3.08Å; R296-A300 PolarHBondContact O-N 3.15Å
297E94.1Very high90Very high92 Ų92109.1 Ų109.143%0.4357%0.573SS.*Hα-helixtrans-76.6-40.5-179.8-178.8174.5-157.400111.2P293 S294 L299 A300 H301P293-E297 VanDerWaalsContact CA-OE2 3.26Å; P293-E297 WeakPolarHBondContact CA-OE2 3.19Å; P293-E297 HydrophobicContact CB-CB 4.26Å; P293-E297 HydrophobicContact CB-CG 3.8Å; P293-E297 WeakPolarHBondContact CB-OE2 3.25Å; S294-E297 PolarHBondContact N-OE2 2.68Å; S294-E297 CarbonylContact O-C 3.58Å; S294-E297 WeakPolarHBondContact O-CA 3.34Å; S294-E297 WeakPolarHBondContact O-CB 3.46Å; S294-E297 PolarHBondContact O-N 2.83Å; S294-E297 VanDerWaalsContact OG-CB 3.24Å; S294-E297 WeakPolarHBondContact OG-CB 3.26Å; S294-E297 PolarHBondContact OG-N 3.43Å; S294-E297 PolarHBondContact OG-OE2 3.46Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 2.88Å; E297-A300 CarbonylContact O-C 3.59Å; E297-A300 WeakPolarHBondContact O-CA 3.48Å; E297-A300 WeakPolarHBondContact O-CB 3.42Å; E297-A300 PolarHBondContact O-N 3.17Å; E297-H301 PolarHBondContact O-CD2 3.39Å; E297-H301 PolarHBondContact O-N 3.1Å
298Q95.6Very high91Very high92 Ų92107 Ų10743%0.4355%0.553SS.*Hα-helixtrans-55.6-44.8167.8-65.2173.82200111.2P293 S294 H301 Q302P293-Q298 HydrophobicContact CB-CG 4.33Å; P293-Q298 HydrophobicContact CG-CG 4.14Å; P293-Q298 PolarHBondContact O-NE2 2.9Å; S294-Q298 WeakPolarHBondContact O-CG 3.37Å; S294-Q298 PolarHBondContact O-N 3.24Å; Q298-H301 PolarHBondContact O-N 3.48Å; Q298-Q302 WeakPolarHBondContact O-CB 3.33Å; Q298-Q302 VanDerWaalsContact O-CG 3.32Å; Q298-Q302 WeakPolarHBondContact O-CG 3.5Å; Q298-Q302 PolarHBondContact O-N 2.87Å
299L95.5Very high91.8Very high90 Ų90105.3 Ų105.347%0.47154%0.541SS..Hα-helixtrans-64.2-38.1172.8-76.3170.5000112.8Q295 E297 Q302 L303Q295-L299 WeakPolarHBondContact O-CG 3.39Å; Q295-L299 PolarHBondContact O-N 2.98Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 2.88Å; L299-Q302 PolarHBondContact O-N 3.41Å; L299-L303 WeakPolarHBondContact O-CB 3.25Å; L299-L303 VanDerWaalsContact O-CG 3.3Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 3.29Å
300A94.3Very high92.6Very high57 Ų57100 Ų10047%0.47153%0.526SS..Hα-helixtrans-64.4-44.5176.100000112R296 E297 L303 A304R296-A300 PolarHBondContact O-N 3.15Å; E297-A300 CarbonylContact O-C 3.59Å; E297-A300 WeakPolarHBondContact O-CA 3.48Å; E297-A300 WeakPolarHBondContact O-CB 3.42Å; E297-A300 PolarHBondContact O-N 3.17Å; A300-L303 PolarHBondContact O-N 3.42Å; A300-A304 WeakPolarHBondContact O-CB 3.34Å; A300-A304 PolarHBondContact O-N 2.91Å
301H93Very high93.1Very high115 Ų115103.5 Ų103.553%0.53253%0.532SS..Hα-helixtrans-61.2-46.4172.3-76.5-72.3000111.6E297 Q298 L303 A304 D305E297-H301 PolarHBondContact O-CD2 3.39Å; E297-H301 PolarHBondContact O-N 3.1Å; Q298-H301 PolarHBondContact O-N 3.48Å; H301-L303 VanDerWaalsContact C-N 3.27Å; H301-L303 PolarHBondContact O-N 3.42Å; H301-A304 PolarHBondContact O-N 2.94Å; H301-D305 WeakPolarHBondContact O-CB 3.28Å; H301-D305 PolarHBondContact O-N 2.88Å
302Q96.4Very high93.5Very high97 Ų97102.5 Ų102.545%0.45352%0.523SS..Hα-helixtrans-60-34.8175.8-74.3-17922.600113.1Q298 L299 K306Q298-Q302 WeakPolarHBondContact O-CB 3.33Å; Q298-Q302 VanDerWaalsContact O-CG 3.32Å; Q298-Q302 WeakPolarHBondContact O-CG 3.5Å; Q298-Q302 PolarHBondContact O-N 2.87Å; L299-Q302 PolarHBondContact O-N 3.41Å; Q302-K306 WeakPolarHBondContact O-CB 3.5Å; Q302-K306 VanDerWaalsContact O-CD 3.31Å; Q302-K306 WeakPolarHBondContact O-CD 3.22Å; Q302-K306 WeakPolarHBondContact O-CG 3.42Å; Q302-K306 PolarHBondContact O-N 3.33Å
303L96.9Very high93.8Very high113 Ų113104.8 Ų104.859%0.59252%0.515SS*.Hα-helixtrans-73.5-40.1175.2-73.1171.3000111.9L299 A300 H301 K306 A307L299-L303 WeakPolarHBondContact O-CB 3.25Å; L299-L303 VanDerWaalsContact O-CG 3.3Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 3.29Å; A300-L303 PolarHBondContact O-N 3.42Å; H301-L303 VanDerWaalsContact C-N 3.27Å; H301-L303 PolarHBondContact O-N 3.42Å; L303-K306 PolarHBondContact O-N 2.92Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 3.24Å
304A95.1Very high93.9Very high58 Ų58105.7 Ų105.748%0.47952%0.517SS..Hα-helixtrans-61.5-42.8173.500000111.6A300 H301 A307 S308A300-A304 WeakPolarHBondContact O-CB 3.34Å; A300-A304 PolarHBondContact O-N 2.91Å; H301-A304 PolarHBondContact O-N 2.94Å; A304-A307 PolarHBondContact O-N 3.38Å; A304-S308 WeakPolarHBondContact O-CB 3.29Å; A304-S308 PolarHBondContact O-N 3.03Å; A304-S308 PolarHBondContact O-OG 3.44Å
305D94.7Very high93.8Very high76 Ų76112.1 Ų112.141%0.40653%0.532SS..Hα-helixtrans-66.4-40175.5-98.326000113H301 A307 S308 R309H301-D305 WeakPolarHBondContact O-CB 3.28Å; H301-D305 PolarHBondContact O-N 2.88Å; D305-A307 VanDerWaalsContact C-N 3.34Å; D305-S308 WeakPolarHBondContact CA-OG 3.49Å; D305-S308 PolarHBondContact O-OG 3.35Å; D305-S308 VanDerWaalsContact O-OG 3.09Å; D305-R309 VanDerWaalsContact O-CB 3.24Å; D305-R309 WeakPolarHBondContact O-CB 3.32Å; D305-R309 WeakPolarHBondContact O-CD 3.27Å; D305-R309 WeakPolarHBondContact O-CG 3.22Å; D305-R309 PolarHBondContact O-N 2.73Å; D305-R309 IonicContact OD2-NE 3Å; D305-R309 IonicContact OD2-NH2 3.52Å
306K96.5Very high93.5Very high128 Ų128110.1 Ų110.156%0.55753%0.526SS*.Hα-helixtrans-63.1-43.4173.4-76.1164.1-173.61690110.5Q302 L303 Q310Q302-K306 WeakPolarHBondContact O-CB 3.5Å; Q302-K306 VanDerWaalsContact O-CD 3.31Å; Q302-K306 WeakPolarHBondContact O-CD 3.22Å; Q302-K306 WeakPolarHBondContact O-CG 3.42Å; Q302-K306 PolarHBondContact O-N 3.33Å; L303-K306 PolarHBondContact O-N 2.92Å; K306-Q310 VanDerWaalsContact O-CB 3.3Å; K306-Q310 WeakPolarHBondContact O-CB 3.38Å; K306-Q310 PolarHBondContact O-N 3.16Å
307A95.3Very high93.3Very high41 Ų41104.2 Ų104.234%0.33951%0.507SS..Hα-helixtrans-68.9-39178.100000113.4L303 A304 D305 Q310 R311L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 3.24Å; A304-A307 PolarHBondContact O-N 3.38Å; D305-A307 VanDerWaalsContact C-N 3.34Å; A307-Q310 PolarHBondContact O-N 3.37Å; A307-R311 WeakPolarHBondContact O-CG 3.48Å; A307-R311 PolarHBondContact O-N 3.07Å
308S92.3Very high92.9Very high55 Ų55102 Ų10239%0.38550%0.504SS..Hα-helixtrans-67.6-46.817769.80000110.9A304 D305 Q310 R311 V312A304-S308 WeakPolarHBondContact O-CB 3.29Å; A304-S308 PolarHBondContact O-N 3.03Å; A304-S308 PolarHBondContact O-OG 3.44Å; D305-S308 WeakPolarHBondContact CA-OG 3.49Å; D305-S308 PolarHBondContact O-OG 3.35Å; D305-S308 VanDerWaalsContact O-OG 3.09Å; S308-Q310 VanDerWaalsContact C-N 3.28Å; S308-Q310 PolarHBondContact O-N 3.45Å; S308-R311 PolarHBondContact O-N 3.07Å; S308-V312 WeakPolarHBondContact O-CG2 3.38Å; S308-V312 PolarHBondContact O-N 3.35Å
309R92.6Very high92.4Very high151 Ų151100.7 Ų100.757%0.5750%0.503SS*.Hα-helixtrans-64.5-30.4175.3-66.1168.9-168-902.2112.5D305 R313D305-R309 VanDerWaalsContact O-CB 3.24Å; D305-R309 WeakPolarHBondContact O-CB 3.32Å; D305-R309 WeakPolarHBondContact O-CD 3.27Å; D305-R309 WeakPolarHBondContact O-CG 3.22Å; D305-R309 PolarHBondContact O-N 2.73Å; D305-R309 IonicContact OD2-NE 3Å; D305-R309 IonicContact OD2-NH2 3.52Å; R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 3.04Å
310Q92.8Very high91.9Very high115 Ų115103.7 Ų103.754%0.53751%0.512SS..Hα-helixtrans-67.2-53.8170.9-176.3169.8-0.800110.9K306 A307 S308 V312 R313 D314K306-Q310 VanDerWaalsContact O-CB 3.3Å; K306-Q310 WeakPolarHBondContact O-CB 3.38Å; K306-Q310 PolarHBondContact O-N 3.16Å; A307-Q310 PolarHBondContact O-N 3.37Å; S308-Q310 VanDerWaalsContact C-N 3.28Å; S308-Q310 PolarHBondContact O-N 3.45Å; Q310-V312 PolarHBondContact O-N 3.07Å; Q310-V312 VanDerWaalsContact O-N 3.15Å; Q310-R313 CarbonylContact O-C 3.44Å; Q310-R313 WeakPolarHBondContact O-CA 3.3Å; Q310-R313 WeakPolarHBondContact O-CB 3.33Å; Q310-R313 PolarHBondContact O-N 2.76Å; Q310-D314 PolarHBondContact O-N 2.68Å
311R92.5Very high91.1Very high188 Ų188108 Ų10871%0.70952%0.516SS*.Hα-helixtrans-55.3-35.8177.4-70.7172.9-176.7176.62113.3A307 S308 R315A307-R311 WeakPolarHBondContact O-CG 3.48Å; A307-R311 PolarHBondContact O-N 3.07Å; S308-R311 PolarHBondContact O-N 3.07Å; R311-R315 WeakPolarHBondContact O-CB 3.36Å; R311-R315 PolarHBondContact O-N 2.84Å
312V90.4Very high90.1Very high86 Ų86109.2 Ų109.252%0.52152%0.524SS..Hα-helixtrans-67.1-43.8174.5171.60000111.4S308 Q310 R315 L316S308-V312 WeakPolarHBondContact O-CG2 3.38Å; S308-V312 PolarHBondContact O-N 3.35Å; Q310-V312 PolarHBondContact O-N 3.07Å; Q310-V312 VanDerWaalsContact O-N 3.15Å; V312-R315 PolarHBondContact O-N 2.86Å; V312-L316 HydrophobicContact CG1-CD1 3.99Å; V312-L316 WeakPolarHBondContact O-CB 3.45Å; V312-L316 VanDerWaalsContact O-CG 3.3Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.47Å
313R91.7Very high88.9Confident156 Ų156111.1 Ų111.159%0.58953%0.533SS*.Hα-helixtrans-62.5-47.8172.9-73.4-174-172.597.6-7.6111.8R309 Q310 R315 L316 E317R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 3.04Å; Q310-R313 CarbonylContact O-C 3.44Å; Q310-R313 WeakPolarHBondContact O-CA 3.3Å; Q310-R313 WeakPolarHBondContact O-CB 3.33Å; Q310-R313 PolarHBondContact O-N 2.76Å; R313-R315 VanDerWaalsContact C-N 3.26Å; R313-R315 PolarHBondContact O-N 2.89Å; R313-L316 PolarHBondContact O-N 3.34Å; R313-L316 VanDerWaalsContact O-N 3.08Å; R313-E317 PolarHBondContact O-N 2.95Å
314D90.7Very high87.5Confident78 Ų78109.9 Ų109.942%0.41753%0.533SS..Hα-helixtrans-57-41.7179.3-58-21.8000110.9Q310 A318Q310-D314 PolarHBondContact O-N 2.68Å; D314-A318 VanDerWaalsContact O-CB 3.26Å; D314-A318 WeakPolarHBondContact O-CB 3.31Å; D314-A318 PolarHBondContact O-N 3.1Å
315R90.6Very high85.7Confident196 Ų196108.1 Ų108.174%0.7452%0.519SS*.Hα-helixtrans-66.6-43.1175-172.6177.1-178-175.2-0.2112.5R311 V312 R313 A318 V319R311-R315 WeakPolarHBondContact O-CB 3.36Å; R311-R315 PolarHBondContact O-N 2.84Å; V312-R315 PolarHBondContact O-N 2.86Å; R313-R315 VanDerWaalsContact C-N 3.26Å; R313-R315 PolarHBondContact O-N 2.89Å; R315-A318 PolarHBondContact O-N 3.26Å; R315-V319 WeakPolarHBondContact O-CG2 3.25Å; R315-V319 PolarHBondContact O-N 3.25Å
316L89.7Confident83.9Confident114 Ų114108.9 Ų108.960%0.59754%0.535SS*.Hα-helixtrans-65.5-41.1177-73.7168.6000111.8V312 R313 V319 K320V312-L316 HydrophobicContact CG1-CD1 3.99Å; V312-L316 WeakPolarHBondContact O-CB 3.45Å; V312-L316 VanDerWaalsContact O-CG 3.3Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 3.47Å; R313-L316 PolarHBondContact O-N 3.34Å; R313-L316 VanDerWaalsContact O-N 3.08Å; L316-V319 PolarHBondContact O-N 3.34Å; L316-K320 WeakPolarHBondContact O-CB 3.41Å; L316-K320 PolarHBondContact O-N 3.45Å
317E88Confident82.1Confident91 Ų91107.6 Ų107.643%0.42554%0.542SS..Hα-helixtrans-67.8-37.9173.7-67.6-167.2-177.500112.3R313 K320 R321R313-E317 PolarHBondContact O-N 2.95Å; E317-K320 PolarHBondContact O-N 3.47Å; E317-R321 VanDerWaalsContact CB-NH1 3.29Å; E317-R321 WeakPolarHBondContact O-CB 3.45Å; E317-R321 VanDerWaalsContact O-CG 3.29Å; E317-R321 WeakPolarHBondContact O-CG 3.41Å; E317-R321 PolarHBondContact O-N 2.84Å; E317-R321 IonicContact OE2-CZ 2.64Å; E317-R321 IonicContact OE2-NH1 3.84Å; E317-R321 PolarHBondContact OE2-NH1 3.26Å; E317-R321 IonicContact OE2-NH2 3.8Å; E317-R321 PolarHBondContact OE2-NH2 2.9Å
318A86Confident79.9Confident45 Ų45109.3 Ų109.337%0.37255%0.552SS.*Hα-helixtrans-62.1-45.4174.800000111.2D314 R315 R321 M322D314-A318 VanDerWaalsContact O-CB 3.26Å; D314-A318 WeakPolarHBondContact O-CB 3.31Å; D314-A318 PolarHBondContact O-N 3.1Å; R315-A318 PolarHBondContact O-N 3.26Å; A318-R321 PolarHBondContact O-N 2.83Å; A318-M322 WeakPolarHBondContact O-CG 2.9Å; A318-M322 PolarHBondContact O-N 2.82Å
319V85.6Confident78Confident65 Ų65113.2 Ų113.239%0.39458%0.576SS.*Hα-helixtrans-60.9-45.2173.3169.90000111R315 L316 R321 M322 Q323R315-V319 WeakPolarHBondContact O-CG2 3.25Å; R315-V319 PolarHBondContact O-N 3.25Å; L316-V319 PolarHBondContact O-N 3.34Å; V319-R321 PolarHBondContact O-N 3.43Å; V319-M322 PolarHBondContact O-N 2.93Å; V319-Q323 HydrophobicContact CG1-CG 4.41Å; V319-Q323 WeakPolarHBondContact O-CB 3.29Å; V319-Q323 WeakPolarHBondContact O-CG 3.19Å; V319-Q323 PolarHBondContact O-N 3.47Å
320K85.5Confident76.1Confident152 Ų152109.3 Ų109.366%0.66157%0.572SS**Hα-helixtrans-62.3-40.7176.9-173.1174.3-179177.20112.3L316 E317 Q323 S324L316-K320 WeakPolarHBondContact O-CB 3.41Å; L316-K320 PolarHBondContact O-N 3.45Å; E317-K320 PolarHBondContact O-N 3.47Å; K320-Q323 PolarHBondContact O-N 2.96Å; K320-S324 PolarHBondContact O-N 3.32Å; K320-S324 PolarHBondContact O-OG 3.35Å
321R77.4Confident74.4Confident147 Ų147113.8 Ų113.856%0.55558%0.584SS**Hα-helixtrans-62.5-46.9174.1-75.9177.1-175.8105.211.9110.9E317 A318 V319 Q323 S324 A325E317-R321 VanDerWaalsContact CB-NH1 3.29Å; E317-R321 WeakPolarHBondContact O-CB 3.45Å; E317-R321 VanDerWaalsContact O-CG 3.29Å; E317-R321 WeakPolarHBondContact O-CG 3.41Å; E317-R321 PolarHBondContact O-N 2.84Å; E317-R321 IonicContact OE2-CZ 2.64Å; E317-R321 IonicContact OE2-NH1 3.84Å; E317-R321 PolarHBondContact OE2-NH1 3.26Å; E317-R321 IonicContact OE2-NH2 3.8Å; E317-R321 PolarHBondContact OE2-NH2 2.9Å; A318-R321 PolarHBondContact O-N 2.83Å; V319-R321 PolarHBondContact O-N 3.43Å; R321-Q323 PolarHBondContact O-N 3.1Å; R321-S324 WeakPolarHBondContact CA-OG 3.27Å; R321-S324 PolarHBondContact O-N 3.23Å; R321-S324 PolarHBondContact O-OG 3.19Å; R321-A325 WeakPolarHBondContact O-CB 3.47Å; R321-A325 PolarHBondContact O-N 2.72Å
322M71.9Confident73Confident142 Ų142109.3 Ų109.370%0.758%0.582SS**Hα-helixtrans-59.6-44.7175.1-72.1175.968.800112.2A318 V319 A325 A326A318-M322 WeakPolarHBondContact O-CG 2.9Å; A318-M322 PolarHBondContact O-N 2.82Å; V319-M322 PolarHBondContact O-N 2.93Å; M322-A325 PolarHBondContact O-N 3.39Å; M322-A325 VanDerWaalsContact O-N 3.17Å; M322-A326 PolarHBondContact O-N 3.18Å
323Q71.7Confident71.7Confident137 Ų137110.4 Ų110.464%0.6458%0.584SS**Hα-helixtrans-60.5-44.6175.3-74.2171.3-19.900111.9V319 K320 R321 A325 A326V319-Q323 HydrophobicContact CG1-CG 4.41Å; V319-Q323 WeakPolarHBondContact O-CB 3.29Å; V319-Q323 WeakPolarHBondContact O-CG 3.19Å; V319-Q323 PolarHBondContact O-N 3.47Å; K320-Q323 PolarHBondContact O-N 2.96Å; R321-Q323 PolarHBondContact O-N 3.1Å; Q323-A325 VanDerWaalsContact C-N 3.26Å; Q323-A325 PolarHBondContact O-N 3.37Å; Q323-A326 PolarHBondContact O-N 2.82Å
324S66.1Low70.5Confident86 Ų86106.2 Ų106.260%0.60157%0.573SS**Hα-helixtrans-69.1-22.3175.962.70000114.2K320 R321 S327K320-S324 PolarHBondContact O-N 3.32Å; K320-S324 PolarHBondContact O-OG 3.35Å; R321-S324 WeakPolarHBondContact CA-OG 3.27Å; R321-S324 PolarHBondContact O-N 3.23Å; R321-S324 PolarHBondContact O-OG 3.19Å; S324-S327 PolarHBondContact O-OG 3.4Å
325A57.8Low69.8Low22 Ų22105.5 Ų105.518%0.18257%0.574CS.*Hα-helixtrans-92.7-11.8-179.100000113.6R321 M322 Q323 S327 S328 L333R321-A325 WeakPolarHBondContact O-CB 3.47Å; R321-A325 PolarHBondContact O-N 2.72Å; M322-A325 PolarHBondContact O-N 3.39Å; M322-A325 VanDerWaalsContact O-N 3.17Å; Q323-A325 VanDerWaalsContact C-N 3.26Å; Q323-A325 PolarHBondContact O-N 3.37Å; A325-S327 PolarHBondContact O-N 3.01Å; A325-S328 PolarHBondContact O-N 2.96Å; A325-L333 HydrophobicContact CB-CD1 3.85Å; A325-L333 HydrophobicContact CB-CD2 3.63Å; A325-L333 HydrophobicContact CB-CG 4.38Å
326A57.4Low68.9Low91 Ų91101.2 Ų101.275%0.75257%0.571SS**THydrogen-bonded Turntrans-63-10.6179.800000114M322 Q323M322-A326 PolarHBondContact O-N 3.18Å; Q323-A326 PolarHBondContact O-N 2.82Å
327S57.8Low68.3Low101 Ų10199.1 Ų99.171%0.70657%0.57SS**THydrogen-bonded Turntrans-87.8-11.6177.857.60000114.7S324 A325S324-S327 PolarHBondContact O-OG 3.4Å; A325-S327 PolarHBondContact O-N 3.01Å
328S49.5Very low67.9Low78 Ų7896.2 Ų96.255%0.54556%0.562SS.*  trans-162.5125.6177.5-81.70000113.7A325 S330A325-S328 PolarHBondContact O-N 2.96Å; S328-S330 VanDerWaalsContact C-N 3.27Å; S328-S330 PolarHBondContact O-N 2.92Å
329P52.4Low67.3Low137 Ų13797.7 Ų97.789%0.8956%0.564SS**  trans-78.368.6-178.433.7-36.5000112.4
330S52.7Low66.8Low68 Ų68103.9 Ų103.948%0.47658%0.58SS.*  trans-79.4141.5178.4-1710000112.8S328 S332 L333S328-S330 VanDerWaalsContact C-N 3.27Å; S328-S330 PolarHBondContact O-N 2.92Å; S330-S332 PolarHBondContact O-N 2.88Å; S330-S332 PolarHBondContact OG-OG 3.1Å; S330-L333 WeakPolarHBondContact O-CG 3.11Å; S330-L333 PolarHBondContact O-N 2.95Å
331R57.3Low66.4Low210 Ų210102.5 Ų102.579%0.79258%0.579SS**G310 helixtrans-62.5-13.6178.7-65.1-177.3177.9-171.4-1.1113.6L333 L334R331-L333 PolarHBondContact O-N 2.99Å; R331-L334 HydrophobicContact CB-CD1 4.49Å; R331-L334 PolarHBondContact O-N 2.81Å
332S62.2Low66Low94 Ų94100.1 Ų100.166%0.65758%0.577SS**G310 helixtrans-66-13.4175.653.90000114.8S330 L334S330-S332 PolarHBondContact O-N 2.88Å; S330-S332 PolarHBondContact OG-OG 3.1Å; S332-L334 VanDerWaalsContact C-N 3.33Å
333L63Low65.7Low109 Ų10996.8 Ų96.857%0.57157%0.572SS**G310 helixtrans-81.6-11.3178.8-58.5171.5000113.5A325 S330 R331A325-L333 HydrophobicContact CB-CD1 3.85Å; A325-L333 HydrophobicContact CB-CD2 3.63Å; A325-L333 HydrophobicContact CB-CG 4.38Å; S330-L333 WeakPolarHBondContact O-CG 3.11Å; S330-L333 PolarHBondContact O-N 2.95Å; R331-L333 PolarHBondContact O-N 2.99Å
334L67.9Low65.4Low67 Ų6793.9 Ų93.935%0.35157%0.566SS.*SBendtrans-78.7138.7-179.7-67.9163.2000110.6R331 S332 A338 L339 L342R331-L334 HydrophobicContact CB-CD1 4.49Å; R331-L334 PolarHBondContact O-N 2.81Å; S332-L334 VanDerWaalsContact C-N 3.33Å; L334-A338 HydrophobicContact CB-CB 4.29Å; L334-A338 HydrophobicContact CD2-CB 4.24Å; L334-L339 HydrophobicContact CB-CD2 3.79Å; L334-L339 HydrophobicContact CB-CG 3.75Å; L334-L339 HydrophobicContact CD1-CD2 3.87Å; L334-L339 HydrophobicContact CG-CD2 4.5Å; L334-L342 HydrophobicContact CD1-CD1 3.61Å; L334-L342 HydrophobicContact CD2-CD1 4.31Å
335S74.7Confident65Low64 Ų6492.2 Ų92.245%0.44856%0.555SS.*  trans-62.1153.917676.10000111.1A337 A338 L339S335-A337 PolarHBondContact O-N 2.74Å; S335-A338 PolarHBondContact O-N 3.19Å; S335-A338 WeakPolarHBondContact OG-CB 3.22Å; S335-A338 PolarHBondContact OG-N 3Å; S335-A338 VanDerWaalsContact OG-N 3.12Å; S335-L339 PolarHBondContact O-N 3.26Å
336P72.8Confident64.9Low105 Ų10595.7 Ų95.768%0.68258%0.578SS**Hα-helixtrans-56.5-25176.4-27.736000114.1R340P336-R340 WeakPolarHBondContact O-CB 3.48Å; P336-R340 VanDerWaalsContact O-CG 3.31Å; P336-R340 WeakPolarHBondContact O-CG 3.5Å; P336-R340 PolarHBondContact O-N 2.91Å
337A76.9Confident64.8Low70 Ų7096.1 Ų96.158%0.57958%0.575SS**Hα-helixtrans-75.3-44.1171.900000112.2S335 R340 L341S335-A337 PolarHBondContact O-N 2.74Å; A337-R340 PolarHBondContact O-N 3.09Å; A337-L341 WeakPolarHBondContact O-CB 3.43Å; A337-L341 PolarHBondContact O-N 3.02Å
338A78.9Confident64.7Low31 Ų3197.9 Ų97.926%0.25658%0.575SS.*Hα-helixtrans-65.6-38.9176.800000112.3L334 S335 L341 L342L334-A338 HydrophobicContact CB-CB 4.29Å; L334-A338 HydrophobicContact CD2-CB 4.24Å; S335-A338 PolarHBondContact O-N 3.19Å; S335-A338 WeakPolarHBondContact OG-CB 3.22Å; S335-A338 PolarHBondContact OG-N 3Å; S335-A338 VanDerWaalsContact OG-N 3.12Å; A338-L341 PolarHBondContact O-N 2.83Å; A338-L342 WeakPolarHBondContact O-CB 3.42Å; A338-L342 WeakPolarHBondContact O-CG 3.38Å; A338-L342 PolarHBondContact O-N 2.85Å
339L74Confident64.9Low76 Ų76101.1 Ų101.140%0.39859%0.585SS.*Hα-helixtrans-60.6-44.9172.3-73.1171.7000111.9L334 S335 A343L334-L339 HydrophobicContact CB-CD2 3.79Å; L334-L339 HydrophobicContact CB-CG 3.75Å; L334-L339 HydrophobicContact CD1-CD2 3.87Å; L334-L339 HydrophobicContact CG-CD2 4.5Å; S335-L339 PolarHBondContact O-N 3.26Å; L339-A343 WeakPolarHBondContact O-CB 3.46Å; L339-A343 PolarHBondContact O-N 3.13Å
340R74.8Confident64.7Low195 Ų195101.4 Ų101.474%0.73658%0.579SS**Hα-helixtrans-63.3-41.2174.9-80.3177.2169.8-163.6-3.7112.5P336 A337 A343 S344P336-R340 WeakPolarHBondContact O-CB 3.48Å; P336-R340 VanDerWaalsContact O-CG 3.31Å; P336-R340 WeakPolarHBondContact O-CG 3.5Å; P336-R340 PolarHBondContact O-N 2.91Å; A337-R340 PolarHBondContact O-N 3.09Å; R340-A343 PolarHBondContact O-N 3.47Å; R340-S344 WeakPolarHBondContact O-CB 3.33Å; R340-S344 PolarHBondContact O-N 3.4Å; R340-S344 PolarHBondContact O-OG 3.37Å
341L76.6Confident64.4Low122 Ų122105.5 Ų105.564%0.63960%0.596SS**Hα-helixtrans-65.3-47.4178.9-159.9160.5000110.7A337 A338 A343 S344 S345A337-L341 WeakPolarHBondContact O-CB 3.43Å; A337-L341 PolarHBondContact O-N 3.02Å; A338-L341 PolarHBondContact O-N 2.83Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.04Å; L341-S344 CarbonylContact O-C 3.54Å; L341-S344 WeakPolarHBondContact O-CA 3.44Å; L341-S344 WeakPolarHBondContact O-CB 3.49Å; L341-S344 PolarHBondContact O-N 3.24Å; L341-S345 PolarHBondContact O-N 3.04Å; L341-S345 PolarHBondContact O-OG 3.5Å
342L69.2Low63.7Low97 Ų97103.3 Ų103.351%0.50860%0.595SS.*Hα-helixtrans-59.1-41.3175.2-78.9162.1000112.6L334 A338 S344 S345L334-L342 HydrophobicContact CD1-CD1 3.61Å; L334-L342 HydrophobicContact CD2-CD1 4.31Å; A338-L342 WeakPolarHBondContact O-CB 3.42Å; A338-L342 WeakPolarHBondContact O-CG 3.38Å; A338-L342 PolarHBondContact O-N 2.85Å; L342-S344 VanDerWaalsContact C-N 3.26Å; L342-S344 PolarHBondContact O-N 3.45Å; L342-S345 WeakPolarHBondContact CA-OG 3.32Å; L342-S345 PolarHBondContact O-N 3.44Å; L342-S345 PolarHBondContact O-OG 2.85Å
343A67Low62.8Low72 Ų72103.9 Ų103.960%0.59560%0.596SS**Hα-helixtrans-70.1-18.5174.500000114L339 R340 L341 S346L339-A343 WeakPolarHBondContact O-CB 3.46Å; L339-A343 PolarHBondContact O-N 3.13Å; R340-A343 PolarHBondContact O-N 3.47Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.04Å; A343-S346 PolarHBondContact O-OG 3.01Å
344S64.2Low61.7Low76 Ų76105.7 Ų105.753%0.53161%0.606SS.*Hα-helixtrans-91-29.8175.5-54.70000112.4R340 L341 L342 S346 S347R340-S344 WeakPolarHBondContact O-CB 3.33Å; R340-S344 PolarHBondContact O-N 3.4Å; R340-S344 PolarHBondContact O-OG 3.37Å; L341-S344 CarbonylContact O-C 3.54Å; L341-S344 WeakPolarHBondContact O-CA 3.44Å; L341-S344 WeakPolarHBondContact O-CB 3.49Å; L341-S344 PolarHBondContact O-N 3.24Å; L342-S344 VanDerWaalsContact C-N 3.26Å; L342-S344 PolarHBondContact O-N 3.45Å; S344-S346 VanDerWaalsContact C-N 3.32Å; S344-S346 PolarHBondContact O-N 3.23Å; S344-S347 PolarHBondContact O-OG 3.43Å
345S57.2Low60.7Low52 Ų52107.9 Ų107.936%0.36463%0.627SS.*Hα-helixtrans-73-20.5179.448.40000114.1L341 L342 S347L341-S345 PolarHBondContact O-N 3.04Å; L341-S345 PolarHBondContact O-OG 3.5Å; L342-S345 WeakPolarHBondContact CA-OG 3.32Å; L342-S345 PolarHBondContact O-N 3.44Å; L342-S345 PolarHBondContact O-OG 2.85Å; S345-S347 VanDerWaalsContact C-N 3.26Å; S345-S347 PolarHBondContact O-N 3.29Å
346S56.6Low59.2Low95 Ų95116.4 Ų116.466%0.66465%0.649SS**THydrogen-bonded Turntrans-75.9-2.6-177.349.60000115.4A343 S344A343-S346 PolarHBondContact O-OG 3.01Å; S344-S346 VanDerWaalsContact C-N 3.32Å; S344-S346 PolarHBondContact O-N 3.23Å
347S55.1Low58.2Low99 Ų99117.5 Ų117.569%0.69266%0.657SS**THydrogen-bonded Turntrans-1099.917868.90000114.5S344 S345S344-S347 PolarHBondContact O-OG 3.43Å; S345-S347 VanDerWaalsContact C-N 3.26Å; S345-S347 PolarHBondContact O-N 3.29Å
348I55Low56.6Low138 Ų138120 Ų12071%0.70867%0.67SS**SBendtrans-88.3-12.7-176.3-61.6176.1000111.9
349I55.2Low54.7Low147 Ų147125.3 Ų125.375%0.75470%0.699SS**SBendtrans-103.185.4179.2-51.2173.3000109.1
350N48.5Very low53.1Low143 Ų143124.4 Ų124.477%0.76571%0.708SS**SBendtrans170.2116144.6-87.3-25.6000112.7
351N46Very low51.8Low153 Ų153122 Ų12282%0.81872%0.715SS**  trans45.8140.9151.5-68.13.3000124.6
352E42.6Very low50.2Low165 Ų165120.3 Ų120.377%0.77172%0.719SS**  trans73.7128.3149.5-84.7-70101.500120.4N354E352-N354 PolarHBondContact O-N 3.32Å
353P42Very low48.9Very low106 Ų106126.4 Ų126.469%0.68874%0.735SS**  trans-103.274.1-17140-33.5000113.3
354N40.6Very low47.8Very low147 Ų147130.8 Ų130.879%0.78675%0.747SS**  trans-147.8157.1174.7-107.5-52.8000116.5E352E352-N354 PolarHBondContact O-N 3.32Å
355S46.3Very low46.6Very low112 Ų112130.8 Ų130.878%0.78376%0.759SS**  trans75.2119.917978.40000118.5
356R43.4Very low45.9Very low243 Ų243131.6 Ų131.692%0.91778%0.776SS**  trans-93.2140.8154.1-71.4175.3170.5176.9-3.4108.7
357P52Low45.4Very low129 Ų129135.8 Ų135.884%0.83879%0.785SS**  trans-79.9144.3155-12.329.6000111
358S42.7Very low44.8Very low122 Ų122137 Ų13785%0.85379%0.788SS**  trans-107.9171.1178.3-164.30000112.5
359T39.6Very low44.1Very low143 Ų143137 Ų13788%0.87780%0.799SS**  trans-80.5139-171.7-44.10000114.3
360G40.8Very low43.4Very low57 Ų57134.9 Ų134.959%0.58880%0.797SS**  trans174.9123.7160.100000110.1
361T48.1Very low43.5Very low144 Ų144133.8 Ų133.888%0.88380%0.798SS**  44.8127.26355.30000115.2
362A41.6Very low43.6Very low87 Ų87133.6 Ų133.672%0.71980%0.796SS**  cis-169.6-177.8-4.300000112.1
363R43.5Very low43.8Very low225 Ų225130.5 Ų130.585%0.84979%0.79SS**  trans98.4122.2150.4-67.3-177.3179.4-173.60.2121.6
364I42.1Very low44.1Very low164 Ų164134.3 Ų134.384%0.84180%0.796SS**  trans74.9127.3135.6-61.7165.3000119.5
365G40.4Very low44.4Very low76 Ų76133.6 Ų133.678%0.78480%0.796SS**  trans147.876.3146.100000120.7
366G41.7Very low44.2Very low69 Ų69135.6 Ų135.671%0.71180%0.798SS**  trans93.7133.4140.600000122.1
367Q47.4Very low44.4Very low183 Ų183130.3 Ų130.386%0.85579%0.793SS**  trans62.392.8142.2-61-173.9105.500118.9
368T41.2Very low44.4Very low124 Ų124129.9 Ų129.976%0.76179%0.791SS**  83.499.186.6570000116.2
369C40.3Very low44.5Very low138 Ų138135.9 Ų135.993%0.93280%0.795SS**  -177.8159.6124.7-100.40000110.8
370S40Very low45Very low102 Ų102140.7 Ų140.771%0.71380%0.797SS**  trans-138168.6-174.188.50000110.2
371P51.3Low45.4Very low120 Ų120143.5 Ų143.578%0.77980%0.802SS**  cis-140-179.949.736-14000118.1
372L48.8Very low45.3Very low149 Ų149143 Ų14378%0.7880%0.801SS**  trans-68-171.2179.7-5978.4000113.8
373P45.6Very low45.4Very low100 Ų100143.5 Ų143.565%0.64980%0.8SS**  cis-134.7168.5-10.825.6-3.1000116.1
374K47.9Very low45.3Very low186 Ų186139.9 Ų139.981%0.80980%0.797SS**  170128.4112.9-91.5162.4-177.2172.70116
375V48.1Very low45.6Very low132 Ų132140.7 Ų140.780%0.880%0.802SS**  trans61116.3142.5-175.40000119.9
376N42Very low45.9Very low154 Ų154139.6 Ų139.682%0.82479%0.791SS**  trans-71145.1164.8-70.3-38.5000112.7
377T48.1Very low46.3Very low133 Ų133142.6 Ų142.682%0.81680%0.795SS**  trans-124.5113.7157.245.70000109.9
378P51.3Low46.2Very low120 Ų120140 Ų14078%0.77979%0.792SS**  trans-81.8138.4-176.331.1-33.7000112.6
379R45.8Very low46.4Very low248 Ų248145 Ų14594%0.93680%0.796SS**  trans-58.2129.2168.8-169.6-173.8-162.5-151.17.3110
380R49.2Very low47Very low244 Ų244149.2 Ų149.292%0.92179%0.793SS**  trans-123.9139.1172.9-123.1179.9-176.2-178.50.1111.5
381V49.6Very low47.5Very low115 Ų115150.1 Ų150.170%0.69780%0.796SS**  trans-90.7152.2177.8-89.60000111.4S383V381-S383 PolarHBondContact O-N 3.39Å
382P45.3Very low46.9Very low134 Ų134152.5 Ų152.587%0.8780%0.802SS**SBendtrans-87.479.7-175.835.3-34.6000111.8
383S43.6Very low46.8Very low98 Ų98151.6 Ų151.669%0.68581%0.809SS**  trans-156.250.5179.466.50000114.4V381V381-S383 PolarHBondContact O-N 3.39Å
384D41.9Very low46.7Very low148 Ų148151 Ų15179%0.79181%0.812SS**  trans-161112.1153.3-142-24.8000113.1G386D384-G386 PolarHBondContact OD1-N 2.82Å
385L49.2Very low46.3Very low181 Ų181153.7 Ų153.795%0.94882%0.817SS**  trans-143.264.2161.9-83-177.2000108.2
386G45.5Very low46.1Very low53 Ų53153 Ų15355%0.54682%0.818SS.*  trans-57.9143179.400000114.5D384 V388D384-G386 PolarHBondContact OD1-N 2.82Å; G386-V388 PolarHBondContact O-N 3.35Å; G386-V388 VanDerWaalsContact O-N 3.15Å
387V50.7Low46.4Very low133 Ų133151.4 Ų151.481%0.80681%0.814SS**  trans-71.1104.3176177.10000110R389V387-R389 HydrophobicContact CG1-CG 4.49Å; V387-R389 PolarHBondContact O-N 3.06Å
388V44.8Very low46.4Very low129 Ų129150.8 Ų150.878%0.78281%0.812SS**  trans-76.688.7177.2-176.30000110.8G386G386-V388 PolarHBondContact O-N 3.35Å; G386-V388 VanDerWaalsContact O-N 3.15Å
389R45Very low45.9Very low227 Ų227153.3 Ų153.386%0.85781%0.813SS**PPolyproline II helixtrans-71.7124161-75.8-180168.8150.5-3.5109.2V387V387-R389 HydrophobicContact CG1-CG 4.49Å; V387-R389 PolarHBondContact O-N 3.06Å
390R54.2Low45.6Very low228 Ų228145.7 Ų145.786%0.8680%0.797SS**PPolyproline II helixtrans-86.3134.1168.3-72.4-177.5173.5-176-4.1109.7
391P49.3Very low45.5Very low120 Ų120141.5 Ų141.578%0.77979%0.788SS**PPolyproline II helixtrans-78.9148.8172.732.5-33.8000111.3
392N39.5Very low45.1Very low171 Ų171140.8 Ų140.891%0.91479%0.788SS**PPolyproline II helixtrans-78.5132.8164.1-70.5-20.9000109.4
393S46.8Very low45.1Very low130 Ų130139.9 Ų139.991%0.90978%0.78SS**  trans-150.9159.6157.1-1650000109.3
394A43Very low45.2Very low87 Ų87144.3 Ų144.372%0.71979%0.787SS**  trans-119.3162.5-153.500000115.1
395R39.5Very low45.1Very low243 Ų243142.8 Ų142.892%0.91779%0.785SS**  trans65107.4143-167.9-176.8-161.9175.66.4118.8
396S44.8Very low44.8Very low118 Ų118142.3 Ų142.383%0.82578%0.783SS**  -156.7157.8124.3-160.70000111.5
397T47.7Very low44.7Very low120 Ų120144.7 Ų144.774%0.73679%0.787SS**  trans-142.4154.3-175.649.50000111.2
398P48.7Very low44.4Very low120 Ų120144.5 Ų144.578%0.77979%0.786SS**  trans-123.7147.2130.214.75.5000110.3
399H40.3Very low44.4Very low173 Ų173146.4 Ų146.480%0.80179%0.787SS**  69.4123.353.5-153.253.4000111.5
400C40.1Very low44.4Very low87 Ų87145.5 Ų145.559%0.58879%0.789SS**  cis-152.3-171-1.1-147.10000108.1
401E45.3Very low43.7Very low157 Ų157143.6 Ų143.673%0.73479%0.787SS**  cis-162.5165.44-165.1157.3-73.400112.1
402S42.8Very low43.7Very low99 Ų99145.2 Ų145.269%0.69279%0.787SS**  trans69.7152.2158.6-118.60000117.1
403V44.5Very low43.7Very low116 Ų116142 Ų14270%0.70378%0.776SS**  cis-140.612923174.40000112.8
404K46.1Very low43.7Very low191 Ų191141.8 Ų141.883%0.8377%0.772SS**  trans47.4140.4152.2-61.7174.1-178.9178.70123
405P40Very low43.8Very low116 Ų116147 Ų14775%0.75378%0.781SS**  trans-105.1-176.217743.1-36.9000114.3
406N43.3Very low43.8Very low170 Ų170145.7 Ų145.791%0.90978%0.776SS**  trans-146.5159.9152.7-119.2-18.5000111.2
407T42.6Very low43.9Very low104 Ų104143.9 Ų143.964%0.63878%0.776SS**  trans-132.3141-154.1-570000114
408T43.7Very low43.5Very low128 Ų128144.2 Ų144.279%0.78577%0.773SS**  trans172.2117.8138.834.10000107.9
409E45.4Very low43.5Very low170 Ų170146.5 Ų146.579%0.79478%0.777SS**  75.3107.269.1-75.1-167.4-159.700116.5
410K44.5Very low43.7Very low208 Ų208147 Ų14790%0.90478%0.779SS**  -166.2158.4116.4-106.8167.8-175.5175.40113
411K39.7Very low43.9Very low187 Ų187149 Ų14981%0.81379%0.789SS**  trans-155119.9-168.3168.1-164.7173.2-172.10110.1
412I49.6Very low43.8Very low154 Ų154148.5 Ų148.579%0.7979%0.791SS**  trans-150.1129.5163.4-74.4102.8000109
413P39.7Very low43.9Very low105 Ų105153.2 Ų153.268%0.68280%0.799SS**  trans-127.2-164.115545.2-32.1000109.9
414P45.7Very low43.9Very low125 Ų125152.5 Ų152.581%0.81280%0.797SS**  -116.7173.2-106.133.5-14000115.2
415E46.1Very low43.9Very low195 Ų195151.6 Ų151.691%0.91180%0.796SS**  trans-104.6164174.8-90.2-99.589.300112.9
416R40.1Very low44.1Very low217 Ų217151.4 Ų151.482%0.81980%0.797SS**  trans-96.2164.7-174.6-82.2178.3163.1-176.7-8.6114.1
417G46Very low44.3Very low79 Ų79149 Ų14981%0.81479%0.794SS**  trans-159.884163.200000111.1
418D40.2Very low44.7Very low127 Ų127149.3 Ų149.368%0.67980%0.8SS**  trans-84.6123.2-178.6-63.8-72.7000111.9
419I47.9Very low45.1Very low169 Ų169146.2 Ų146.287%0.86778%0.784SS**  trans-135.3129.2156.3-62.6-175.9000108.5
420Q45Very low45.9Very low182 Ų182145.8 Ų145.885%0.8579%0.785SS**  trans-97.7153.1174.9-61.4172.8-8.100110.2
421V43.8Very low46.8Very low130 Ų130140 Ų14079%0.78877%0.768SS**  trans-176.2121.6131.7143.40000110.6
422D44Very low47.8Very low146 Ų146137.4 Ų137.478%0.78176%0.763SS**  trans45.6108.1150.1-52.1-29.5000124.2
423K43.6Very low48.3Very low199 Ų199136 Ų13687%0.86576%0.756SS**  trans-4.5166.1130.6-100.3-175.7174.5-177.20120.6
424P44.8Very low49.5Very low100 Ų100137.8 Ų137.865%0.64976%0.76SS**  cis-140.5-173.72.528.7-2.7000117.4
425E46.1Very low50.6Low172 Ų172139.7 Ų139.780%0.80476%0.762SS**  trans97.6121.9151.8-48.9-150162.800122.5
426S43.6Very low51.1Low112 Ų112137.2 Ų137.278%0.78376%0.755SS**  trans45.590.2147.762.70000121.5
427S47.9Very low51.9Low120 Ų120135.2 Ų135.284%0.83976%0.76SS**  trans-151.362.9144.468.10000112.1S429S427-S429 PolarHBondContact O-N 3.35Å
428S51.6Low52.4Low110 Ų110140.7 Ų140.777%0.76976%0.761SS**  trans-67.2112.1174.654.20000110.6I430S428-I430 PolarHBondContact O-N 3.18Å
429S52Low52.6Low63 Ų63140.8 Ų140.844%0.44177%0.77SS.*  trans-57.3132.5178.7-174.80000111.5S427 T431S427-S429 PolarHBondContact O-N 3.35Å; S429-T431 PolarHBondContact O-N 3Å; S429-T431 VanDerWaalsContact O-N 3.13Å; S429-T431 PolarHBondContact OG-OG1 3.18Å; S429-T431 VanDerWaalsContact OG-OG1 3.09Å
430I61.7Low52.8Low161 Ų161141.3 Ų141.383%0.82677%0.769SS**THydrogen-bonded Turntrans-69.4-7.8-176-163.5165.2000113.5S428S428-I430 PolarHBondContact O-N 3.18Å
431T63.6Low53Low88 Ų88140.3 Ų140.354%0.5477%0.77SS.*THydrogen-bonded Turntrans-98.2-28.6-173.454.60000115.4S429S429-T431 PolarHBondContact O-N 3Å; S429-T431 VanDerWaalsContact O-N 3.13Å; S429-T431 PolarHBondContact OG-OG1 3.18Å; S429-T431 VanDerWaalsContact OG-OG1 3.09Å
432D59.7Low53.1Low132 Ų132146 Ų14671%0.70679%0.794SS**THydrogen-bonded Turntrans-82.9-17.6-162.8-78.5-39.8000115.7
433N62.1Low53.6Low123 Ų123146 Ų14666%0.65880%0.795SS**THydrogen-bonded Turntrans-89.11.5-174.4-74.4-60.8000114.7L435N433-L435 VanDerWaalsContact C-N 3.26Å; N433-L435 PolarHBondContact O-N 2.92Å; N433-L435 VanDerWaalsContact O-N 3.12Å
434L64.3Low54.1Low144 Ų144143.2 Ų143.275%0.75479%0.791SS**THydrogen-bonded Turntrans-77.25.3-166.3-65.4175.8000116.2
435L67.7Low54.7Low165 Ų165145.6 Ų145.686%0.86480%0.799SS**THydrogen-bonded Turntrans-119.6-0.4-177.9-66.4175.5000115.1N433N433-L435 VanDerWaalsContact C-N 3.26Å; N433-L435 PolarHBondContact O-N 2.92Å; N433-L435 VanDerWaalsContact O-N 3.12Å
436N58Low55.2Low142 Ų142144 Ų14476%0.75980%0.798SS**  trans-106.831.3-167.3-87.711.3000116.1
437L55.4Low55.9Low175 Ų175146 Ų14692%0.91680%0.799SS**  trans-91.1111.6170.3-71.1179.5000111.6
438K57.7Low56.4Low195 Ų195147.7 Ų147.785%0.84880%0.797SS**  trans-61.8143.1174.8-73.3174.3174.7172.80111.5Q440K438-Q440 PolarHBondContact O-N 2.99Å
439C44.2Very low56.8Low128 Ų128150.4 Ų150.487%0.86580%0.799SS**  trans-62.4128.2155.7-53.40000109.5
440Q51.9Low57.1Low181 Ų181157.2 Ų157.285%0.84683%0.826SS**  trans-125.2143.5157.7-76.8-170-49.600108.3K438K438-Q440 PolarHBondContact O-N 2.99Å
441N50Low56.7Low161 Ų161156.8 Ų156.886%0.86183%0.826SS**  trans-83.8141.8-168.7-49.1-56.5000111.8
442L46.3Very low56.1Low248 Ų248163.1 Ų163.1100%1.29885%0.852SS**  trans-154.40144.9-110.1163.9000108.7

Retrieved 442 of 442 residues in 111.9 ms (Link to these results)

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