A0A077ZHI3_TRITR Loading...

glutaminase

AlphaFold DB , UniProt , Accession A0A077ZHI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 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
1M82.7Confident96.7Very high231 Ų23187.3 Ų87.3100%1.13846%0.459SS*.  0128.60-165.4-179.9-73.200107.3
2L94.3Very high96.9Very high98 Ų9885.7 Ų85.751%0.51345%0.451SS..  trans-67.7145.5176.1-65.7170.2000109.6A4 L7 T47L2-A4 PolarHBondContact O-N 3.38Å; L2-L7 HydrophobicContact CB-CD1 4.14Å; L2-L7 HydrophobicContact CB-CD2 4.29Å; L2-L7 HydrophobicContact CD1-CD2 4.19Å; L2-T47 HydrophobicContact CD1-CG2 3.66Å
3D97.8Very high97Very high67 Ų6788.9 Ų88.936%0.35846%0.462SS..  trans-82.8105.5-179.2-177.5-28.5000109.7N5 K6 L7D3-N5 PolarHBondContact O-N 3.43Å; D3-N5 PolarHBondContact OD1-N 3.27Å; D3-N5 VanDerWaalsContact OD1-N 3.14Å; D3-K6 HydrophobicContact CB-CB 4.06Å; D3-K6 HydrophobicContact CB-CD 3.87Å; D3-K6 HydrophobicContact CB-CG 4.05Å; D3-K6 PolarHBondContact O-N 3.39Å; D3-K6 VanDerWaalsContact O-N 3.1Å; D3-K6 PolarHBondContact OD1-N 2.9Å; D3-K6 WeakPolarHBondContact OD2-CD 3.38Å; D3-K6 WeakPolarHBondContact OD2-CE 3.14Å; D3-K6 IonicContact OD2-NZ 2.68Å; D3-K6 PolarHBondContact OD2-NZ 3.29Å; D3-L7 VanDerWaalsContact O-CD1 3.29Å; D3-L7 WeakPolarHBondContact O-CD1 3.22Å; D3-L7 PolarHBondContact O-N 3.48Å
4A98Very high97.2Very high47 Ų4785.3 Ų85.339%0.38845%0.452SS..Hα-helixtrans-56.6-37.5-175.300000113.1L2 L7 Q8 Y53L2-A4 PolarHBondContact O-N 3.38Å; A4-L7 PolarHBondContact O-N 2.89Å; A4-Q8 PolarHBondContact O-N 3.47Å; A4-Y53 WeakPolarHBondContact CA-OH 3.45Å; A4-Y53 HydrophobicContact CB-CE1 4Å; A4-Y53 WeakPolarHBondContact CB-OH 3.38Å; A4-Y53 WeakPolarHBondContact O-CE1 3.3Å
5N98.4Very high97.3Very high120 Ų12081.9 Ų81.964%0.64243%0.432SS*.Hα-helixtrans-68-40.5179.2-70.2-32.5000111D3 Q9D3-N5 PolarHBondContact O-N 3.43Å; D3-N5 PolarHBondContact OD1-N 3.27Å; D3-N5 VanDerWaalsContact OD1-N 3.14Å; N5-Q9 VanDerWaalsContact O-CB 3.28Å; N5-Q9 WeakPolarHBondContact O-CB 3.25Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 3.21Å
6K98.6Very high97.4Very high132 Ų13283.3 Ų83.357%0.57445%0.445SS*.Hα-helixtrans-66.3-38.3176.5-70178.9-173155.30112.2D3 A10D3-K6 HydrophobicContact CB-CB 4.06Å; D3-K6 HydrophobicContact CB-CD 3.87Å; D3-K6 HydrophobicContact CB-CG 4.05Å; D3-K6 PolarHBondContact O-N 3.39Å; D3-K6 VanDerWaalsContact O-N 3.1Å; D3-K6 PolarHBondContact OD1-N 2.9Å; D3-K6 WeakPolarHBondContact OD2-CD 3.38Å; D3-K6 WeakPolarHBondContact OD2-CE 3.14Å; D3-K6 IonicContact OD2-NZ 2.68Å; D3-K6 PolarHBondContact OD2-NZ 3.29Å; K6-A10 WeakPolarHBondContact O-CB 3.4Å; K6-A10 PolarHBondContact O-N 3.17Å
7L98.7Very high97.4Very high27 Ų2785.4 Ų85.414%0.14145%0.452CS..Hα-helixtrans-66.9-45.5177.6-90.468.5000111.3L2 D3 A4 A10 V11 I45 T47 Y53L2-L7 HydrophobicContact CB-CD1 4.14Å; L2-L7 HydrophobicContact CB-CD2 4.29Å; L2-L7 HydrophobicContact CD1-CD2 4.19Å; D3-L7 VanDerWaalsContact O-CD1 3.29Å; D3-L7 WeakPolarHBondContact O-CD1 3.22Å; D3-L7 PolarHBondContact O-N 3.48Å; A4-L7 PolarHBondContact O-N 2.89Å; L7-A10 PolarHBondContact O-N 2.95Å; L7-V11 WeakPolarHBondContact O-CG2 3.16Å; L7-V11 PolarHBondContact O-N 2.97Å; L7-I45 HydrophobicContact CD2-CG2 4.18Å; L7-T47 HydrophobicContact CD2-CG2 3.57Å; L7-Y53 HydrophobicContact CB-CD1 4.07Å; L7-Y53 HydrophobicContact CB-CD2 3.88Å; L7-Y53 HydrophobicContact CB-CE1 4.05Å; L7-Y53 HydrophobicContact CB-CE2 3.88Å; L7-Y53 HydrophobicContact CB-CG 3.98Å; L7-Y53 HydrophobicContact CD2-CD2 3.8Å; L7-Y53 HydrophobicContact CD2-CE2 3.41Å; L7-Y53 VanDerWaalsContact CD2-CE2 3.41Å; L7-Y53 HydrophobicContact CG-CD2 4.45Å; L7-Y53 HydrophobicContact CG-CE2 4.29Å
8Q98.8Very high97.5Very high60 Ų6086.8 Ų86.828%0.2845%0.454SS..Hα-helixtrans-63.5-44.8175.5-170.660.350.800111.4A4 A10 V11 D12 Y53 R54A4-Q8 PolarHBondContact O-N 3.47Å; Q8-A10 VanDerWaalsContact C-N 3.3Å; Q8-A10 PolarHBondContact O-N 3.27Å; Q8-V11 PolarHBondContact O-N 3.27Å; Q8-D12 PolarHBondContact NE2-OD1 2.93Å; Q8-D12 WeakPolarHBondContact O-CB 3.49Å; Q8-D12 VanDerWaalsContact O-CG 3.23Å; Q8-D12 PolarHBondContact O-N 2.98Å; Q8-Y53 HydrophobicContact CB-CD1 4Å; Q8-R54 PolarHBondContact NE2-O 3.32Å
9Q98.8Very high97.6Very high127 Ų12786.8 Ų86.859%0.59345%0.451SS*.Hα-helixtrans-58.3-40.1175.8-78.7176.4-0.300112.5N5 D12 Q13N5-Q9 VanDerWaalsContact O-CB 3.28Å; N5-Q9 WeakPolarHBondContact O-CB 3.25Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 3.21Å; Q9-D12 PolarHBondContact O-N 3.07Å; Q9-Q13 WeakPolarHBondContact O-CB 3.23Å; Q9-Q13 PolarHBondContact O-N 2.85Å
10A98.8Very high97.6Very high49 Ų4986.5 Ų86.541%0.40546%0.456SS..Hα-helixtrans-63.2-44.2178.200000111.9K6 L7 Q8 A14K6-A10 WeakPolarHBondContact O-CB 3.4Å; K6-A10 PolarHBondContact O-N 3.17Å; L7-A10 PolarHBondContact O-N 2.95Å; Q8-A10 VanDerWaalsContact C-N 3.3Å; Q8-A10 PolarHBondContact O-N 3.27Å; A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 2.93Å
11V98.8Very high97.6Very high2 Ų288.6 Ų88.61%0.01247%0.467CS..Hα-helixtrans-65-47.3177.7171.70000110.7L7 Q8 Q13 A14 H15 V43 I45 A55L7-V11 WeakPolarHBondContact O-CG2 3.16Å; L7-V11 PolarHBondContact O-N 2.97Å; Q8-V11 PolarHBondContact O-N 3.27Å; V11-Q13 PolarHBondContact O-N 2.91Å; V11-A14 PolarHBondContact O-N 3.02Å; V11-H15 WeakPolarHBondContact O-CB 3.22Å; V11-H15 PolarHBondContact O-N 3.46Å; V11-V43 HydrophobicContact CG1-CG1 3.96Å; V11-I45 HydrophobicContact CG2-CB 4.36Å; V11-I45 HydrophobicContact CG2-CD1 3.68Å; V11-I45 HydrophobicContact CG2-CG1 3.8Å; V11-A55 HydrophobicContact CG1-CB 3.71Å
12D98.9Very high98.3Very high68 Ų6885.1 Ų85.136%0.36445%0.453SS..Hα-helixtrans-63.5-42.3179-66.6-18.3000112Q8 Q9 H15 T16Q8-D12 PolarHBondContact NE2-OD1 2.93Å; Q8-D12 WeakPolarHBondContact O-CB 3.49Å; Q8-D12 VanDerWaalsContact O-CG 3.23Å; Q8-D12 PolarHBondContact O-N 2.98Å; Q9-D12 PolarHBondContact O-N 3.07Å; D12-H15 PolarHBondContact O-N 3.26Å; D12-T16 VanDerWaalsContact O-CB 3.29Å; D12-T16 WeakPolarHBondContact O-CB 3.43Å; D12-T16 PolarHBondContact O-N 2.71Å; D12-T16 PolarHBondContact O-OG1 3.14Å
13Q98.8Very high98.5Very high128 Ų12884 Ų8460%0.59847%0.466SS*.Hα-helixtrans-66.5-45.2179.2-176.4175.7-2.500111.2Q9 V11 H15 T16 Q17Q9-Q13 WeakPolarHBondContact O-CB 3.23Å; Q9-Q13 PolarHBondContact O-N 2.85Å; V11-Q13 PolarHBondContact O-N 2.91Å; Q13-H15 VanDerWaalsContact C-N 3.34Å; Q13-H15 PolarHBondContact O-N 3.31Å; Q13-T16 PolarHBondContact O-N 2.68Å; Q13-Q17 VanDerWaalsContact O-CB 3.25Å; Q13-Q17 WeakPolarHBondContact O-CB 3.43Å; Q13-Q17 PolarHBondContact O-N 3.06Å
14A98.8Very high98.4Very high38 Ų3884.6 Ų84.631%0.31449%0.488SS..Hα-helixtrans-61.4-44.5176.600000111.3A10 V11 Q17 F18A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 2.93Å; V11-A14 PolarHBondContact O-N 3.02Å; A14-Q17 PolarHBondContact O-N 3.2Å; A14-F18 WeakPolarHBondContact O-CD2 3.16Å; A14-F18 PolarHBondContact O-N 3.2Å; A14-F18 VanDerWaalsContact O-N 3.17Å
15H98.8Very high98.4Very high35 Ų3591.3 Ų91.316%0.16251%0.511CS..Hα-helixtrans-61.2-56.8176.4-172.3-89000110.7V11 D12 Q13 Q17 F18 H19 A41 V43 A55 G56V11-H15 WeakPolarHBondContact O-CB 3.22Å; V11-H15 PolarHBondContact O-N 3.46Å; D12-H15 PolarHBondContact O-N 3.26Å; Q13-H15 VanDerWaalsContact C-N 3.34Å; Q13-H15 PolarHBondContact O-N 3.31Å; H15-Q17 PolarHBondContact O-N 3.15Å; H15-Q17 VanDerWaalsContact O-N 3.11Å; H15-F18 PolarHBondContact O-N 2.68Å; H15-H19 WeakPolarHBondContact CE1-CB 3.5Å; H15-H19 AromaticContact CE1-CD2 3.86Å; H15-H19 AromaticContact CE1-CG 3.51Å; H15-H19 AromaticContact ND1-CD2 3.79Å; H15-H19 AromaticContact ND1-CG 3.83Å; H15-H19 WeakPolarHBondContact NE2-CB 3.42Å; H15-H19 WeakPolarHBondContact O-CB 3.4Å; H15-H19 PolarHBondContact O-CD2 3.3Å; H15-H19 PolarHBondContact O-N 3.43Å; H15-A41 PolarHBondContact NE2-O 2.84Å; H15-A41 VanDerWaalsContact NE2-O 3.15Å; H15-V43 HydrophobicContact CB-CG1 3.88Å; H15-A55 HydrophobicContact CB-CB 3.58Å; H15-G56 WeakPolarHBondContact NE2-CA 3.49Å
16T98.7Very high98.4Very high104 Ų10488.7 Ų88.764%0.63850%0.497SS*.Hα-helixtrans-52.2-39.5-179.7-58.20000112.5D12 Q13D12-T16 VanDerWaalsContact O-CB 3.29Å; D12-T16 WeakPolarHBondContact O-CB 3.43Å; D12-T16 PolarHBondContact O-N 2.71Å; D12-T16 PolarHBondContact O-OG1 3.14Å; Q13-T16 PolarHBondContact O-N 2.68Å
17Q98.7Very high98.4Very high119 Ų11984.8 Ų84.856%0.55649%0.489SS*.Hα-helixtrans-74.8-32.8-177.4-174.4173.7-10.600113.4Q13 A14 H15Q13-Q17 VanDerWaalsContact O-CB 3.25Å; Q13-Q17 WeakPolarHBondContact O-CB 3.43Å; Q13-Q17 PolarHBondContact O-N 3.06Å; A14-Q17 PolarHBondContact O-N 3.2Å; H15-Q17 PolarHBondContact O-N 3.15Å; H15-Q17 VanDerWaalsContact O-N 3.11Å
18F98.7Very high98.3Very high111 Ų11189.3 Ų89.349%0.48751%0.514SS..Hα-helixtrans-125.5-11.8-165.8-61.6-67.2000115.8A14 H15 S20 L21A14-F18 WeakPolarHBondContact O-CD2 3.16Å; A14-F18 PolarHBondContact O-N 3.2Å; A14-F18 VanDerWaalsContact O-N 3.17Å; H15-F18 PolarHBondContact O-N 2.68Å; F18-S20 PolarHBondContact O-N 3.27Å; F18-S20 VanDerWaalsContact O-N 3.08Å; F18-L21 HydrophobicContact CD1-CD2 4.38Å; F18-L21 WeakPolarHBondContact O-CB 3.36Å; F18-L21 PolarHBondContact O-N 2.97Å
19H98.5Very high98.3Very high86 Ų8693.5 Ų93.540%0.39853%0.528SS..THydrogen-bonded Turntrans-61.4-25.1-170.677.184.4000114.4H15 A41H15-H19 WeakPolarHBondContact CE1-CB 3.5Å; H15-H19 AromaticContact CE1-CD2 3.86Å; H15-H19 AromaticContact CE1-CG 3.51Å; H15-H19 AromaticContact ND1-CD2 3.79Å; H15-H19 AromaticContact ND1-CG 3.83Å; H15-H19 WeakPolarHBondContact NE2-CB 3.42Å; H15-H19 WeakPolarHBondContact O-CB 3.4Å; H15-H19 PolarHBondContact O-CD2 3.3Å; H15-H19 PolarHBondContact O-N 3.43Å; H19-A41 HydrophobicContact CB-CB 3.95Å
20S98.1Very high98.3Very high80 Ų8090.6 Ų90.656%0.55952%0.516SS*.THydrogen-bonded Turntrans-114.220179.269.40000112.7F18 N22F18-S20 PolarHBondContact O-N 3.27Å; F18-S20 VanDerWaalsContact O-N 3.08Å; S20-N22 PolarHBondContact O-N 3.44Å
21L98.5Very high98.2Very high131 Ų13193 Ų9369%0.68653%0.527SS*.  trans-64.2122.8177.5-173.468.2000109.4F18F18-L21 HydrophobicContact CD1-CD2 4.38Å; F18-L21 WeakPolarHBondContact O-CB 3.36Å; F18-L21 PolarHBondContact O-N 2.97Å
22N97.4Very high98.2Very high158 Ų15899.3 Ų99.385%0.84556%0.555SS**  trans-79.9145.8178.3-66-76.8000111.2S20S20-N22 PolarHBondContact O-N 3.44Å
23G97.3Very high98.2Very high76 Ų7697.2 Ų97.278%0.78454%0.543SS*.  trans131.6166175.200000112.5
24G97.4Very high98.2Very high79 Ų7993 Ų9381%0.81453%0.53SS*.  trans75-177.6-171.900000112.8
25Q97.3Very high98.1Very high187 Ų18797.1 Ų97.187%0.87455%0.547SS*.  trans-146.4147.5178.7-66.8179.9-32.400108.6
26N98.3Very high98.1Very high66 Ų6697.1 Ų97.135%0.35355%0.549SS..  trans-58.7147.3167.3-73.524.5000109.7D28 L33 V36N26-D28 PolarHBondContact O-N 3.05Å; N26-L33 PolarHBondContact ND2-O 3.2Å; N26-V36 PolarHBondContact ND2-O 3.31Å
27A98Very high98.1Very high49 Ų4994.7 Ų94.741%0.40554%0.535SS..  trans-61.4127.5161.900000109Y29 L33 A34A27-Y29 HydrophobicContact CB-CD1 4.08Å; A27-Y29 HydrophobicContact CB-CE1 3.8Å; A27-L33 HydrophobicContact CB-CB 4.29Å; A27-L33 HydrophobicContact CB-CD1 3.94Å; A27-L33 CarbonylContact O-C 3.23Å; A27-L33 VanDerWaalsContact O-C 3.23Å; A27-L33 WeakPolarHBondContact O-CB 3.46Å; A27-A34 PolarHBondContact O-N 2.69Å; A27-A34 VanDerWaalsContact O-N 3.17Å
28D98.1Very high98.1Very high123 Ų12392 Ų9266%0.65854%0.539SS*.  trans-120.82.9-169.265.2-8.3000113.8N26 I30 A34N26-D28 PolarHBondContact O-N 3.05Å; D28-I30 PolarHBondContact O-N 3.4Å; D28-I30 VanDerWaalsContact O-N 3.17Å; D28-A34 HydrophobicContact CB-CB 4.2Å
29Y97.6Very high98.1Very high147 Ų14793.6 Ų93.658%0.57655%0.548SS*.SBendtrans-66.6-16.1-179.665.6-93.6000113.8A27 L33 E65A27-Y29 HydrophobicContact CB-CD1 4.08Å; A27-Y29 HydrophobicContact CB-CE1 3.8Å; Y29-L33 HydrophobicContact CE1-CD1 3.8Å; Y29-L33 HydrophobicContact CE2-CD1 4.3Å; Y29-L33 WeakPolarHBondContact OH-CD1 3.35Å; Y29-E65 PolarHBondContact OH-OE1 3.18Å
30I98.1Very high98.1Very high67 Ų6791.8 Ų91.834%0.34454%0.542SS..SBendtrans-134.4143169.252.1174.6000110.8D28 F32 L33 A34D28-I30 PolarHBondContact O-N 3.4Å; D28-I30 VanDerWaalsContact O-N 3.17Å; I30-F32 PolarHBondContact O-N 3.38Å; I30-F32 VanDerWaalsContact O-N 3.12Å; I30-L33 HydrophobicContact CD1-CD1 3.85Å; I30-L33 HydrophobicContact CD1-CG 3.86Å; I30-L33 HydrophobicContact CG1-CB 4.16Å; I30-L33 HydrophobicContact CG1-CD1 3.75Å; I30-L33 HydrophobicContact CG1-CG 3.76Å; I30-L33 PolarHBondContact O-N 2.96Å; I30-A34 PolarHBondContact O-N 3.45Å; I30-A34 VanDerWaalsContact O-N 3.17Å
31P98.3Very high98.1Very high98 Ų9889.1 Ų89.164%0.63652%0.524SS*.Hα-helixtrans-58.1-31.3-176.6-26.834.6000114.4A34 N35P31-A34 PolarHBondContact O-N 3Å; P31-N35 VanDerWaalsContact O-CB 3.31Å; P31-N35 WeakPolarHBondContact O-CB 3.5Å; P31-N35 PolarHBondContact O-N 3.03Å; P31-N35 VanDerWaalsContact O-N 3.1Å; P31-N35 PolarHBondContact O-ND2 2.85Å
32F98.3Very high98.1Very high136 Ų13685.7 Ų85.760%0.59652%0.515SS*.Hα-helixtrans-59.4-48.7179.7-175.6-89.9000111.7I30 A63I30-F32 PolarHBondContact O-N 3.38Å; I30-F32 VanDerWaalsContact O-N 3.12Å; F32-A63 HydrophobicContact CE1-CB 4.42Å
33L98.5Very high98.2Very high23 Ų2380.6 Ų80.612%0.1249%0.489CS..Hα-helixtrans-73.5-38.6179.3-62.2177.2000111.8N26 A27 Y29 I30 N35 V36 A63N26-L33 PolarHBondContact ND2-O 3.2Å; A27-L33 HydrophobicContact CB-CB 4.29Å; A27-L33 HydrophobicContact CB-CD1 3.94Å; A27-L33 CarbonylContact O-C 3.23Å; A27-L33 VanDerWaalsContact O-C 3.23Å; A27-L33 WeakPolarHBondContact O-CB 3.46Å; Y29-L33 HydrophobicContact CE1-CD1 3.8Å; Y29-L33 HydrophobicContact CE2-CD1 4.3Å; Y29-L33 WeakPolarHBondContact OH-CD1 3.35Å; I30-L33 HydrophobicContact CD1-CD1 3.85Å; I30-L33 HydrophobicContact CD1-CG 3.86Å; I30-L33 HydrophobicContact CG1-CB 4.16Å; I30-L33 HydrophobicContact CG1-CD1 3.75Å; I30-L33 HydrophobicContact CG1-CG 3.76Å; I30-L33 PolarHBondContact O-N 2.96Å; L33-N35 PolarHBondContact O-N 3.49Å; L33-V36 PolarHBondContact O-N 3.22Å; L33-A63 HydrophobicContact CD2-CB 4.16Å
34A98.3Very high98.2Very high39 Ų3979.9 Ų79.932%0.32248%0.476SS..Hα-helixtrans-58.5-34.2178.900000112.4A27 D28 I30 P31A27-A34 PolarHBondContact O-N 2.69Å; A27-A34 VanDerWaalsContact O-N 3.17Å; D28-A34 HydrophobicContact CB-CB 4.2Å; I30-A34 PolarHBondContact O-N 3.45Å; I30-A34 VanDerWaalsContact O-N 3.17Å; P31-A34 PolarHBondContact O-N 3Å
35N98.5Very high98.3Very high126 Ų12678.9 Ų78.967%0.67445%0.451SS*.THydrogen-bonded Turntrans-941.2-174-66.7-32.3000114.4P31 L33P31-N35 VanDerWaalsContact O-CB 3.31Å; P31-N35 WeakPolarHBondContact O-CB 3.5Å; P31-N35 PolarHBondContact O-N 3.03Å; P31-N35 VanDerWaalsContact O-N 3.1Å; P31-N35 PolarHBondContact O-ND2 2.85Å; L33-N35 PolarHBondContact O-N 3.49Å
36V98.6Very high98.4Very high34 Ų3474.9 Ų74.921%0.20644%0.439CS..SBendtrans-63.8128.9173.3176.40000108.9N26 L33 G38 L40 Y60N26-V36 PolarHBondContact ND2-O 3.31Å; L33-V36 PolarHBondContact O-N 3.22Å; V36-G38 PolarHBondContact O-N 3.4Å; V36-L40 HydrophobicContact CG1-CD1 3.87Å; V36-Y60 HydrophobicContact CG1-CE1 4.3Å
37P98.5Very high98.4Very high54 Ų5472.4 Ų72.435%0.35143%0.427SS..  trans-57.9114.8178.2-2129.5000111.5Q39 L40P37-Q39 PolarHBondContact O-N 2.87Å; P37-Q39 VanDerWaalsContact O-N 3.12Å; P37-L40 HydrophobicContact CB-CD1 4.07Å; P37-L40 HydrophobicContact CB-CG 4.1Å; P37-L40 HydrophobicContact CG-CD1 4.09Å; P37-L40 WeakPolarHBondContact O-CB 3.46Å; P37-L40 WeakPolarHBondContact O-CD1 3.49Å; P37-L40 VanDerWaalsContact O-CG 3.31Å; P37-L40 WeakPolarHBondContact O-CG 3.36Å; P37-L40 PolarHBondContact O-N 2.65Å; P37-L40 VanDerWaalsContact O-N 3.12Å
38G97.9Very high98.3Very high62 Ų6276.1 Ų76.164%0.63945%0.448SS*.THydrogen-bonded Turntrans-69.2-9.9-170.400000115.2V36V36-G38 PolarHBondContact O-N 3.4Å
39Q98.1Very high98.3Very high144 Ų14475.4 Ų75.467%0.67344%0.444SS*.THydrogen-bonded Turntrans-86.5-5.4174.877-75.4-0.500113.9P37 A41P37-Q39 PolarHBondContact O-N 2.87Å; P37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-A41 PolarHBondContact O-N 2.96Å
40L98.6Very high98.3Very high49 Ų4970.8 Ų70.826%0.25744%0.442SS..  trans-63.5128.3177.4-71.9167.9000109.9V36 P37 D57 Y60V36-L40 HydrophobicContact CG1-CD1 3.87Å; P37-L40 HydrophobicContact CB-CD1 4.07Å; P37-L40 HydrophobicContact CB-CG 4.1Å; P37-L40 HydrophobicContact CG-CD1 4.09Å; P37-L40 WeakPolarHBondContact O-CB 3.46Å; P37-L40 WeakPolarHBondContact O-CD1 3.49Å; P37-L40 VanDerWaalsContact O-CG 3.31Å; P37-L40 WeakPolarHBondContact O-CG 3.36Å; P37-L40 PolarHBondContact O-N 2.65Å; P37-L40 VanDerWaalsContact O-N 3.12Å; L40-D57 WeakPolarHBondContact CA-OD2 3.41Å; L40-D57 HydrophobicContact CD2-CB 3.78Å; L40-D57 VanDerWaalsContact CD2-CG 3.44Å; L40-Y60 HydrophobicContact CD1-CD1 3.89Å; L40-Y60 HydrophobicContact CD1-CD2 3.84Å; L40-Y60 HydrophobicContact CD1-CE1 3.64Å; L40-Y60 HydrophobicContact CD1-CE2 3.58Å; L40-Y60 HydrophobicContact CD1-CG 3.99Å; L40-Y60 VanDerWaalsContact CD1-CZ 3.48Å; L40-Y60 HydrophobicContact CD2-CD2 4.16Å; L40-Y60 HydrophobicContact CD2-CG 4.37Å
41A98.7Very high98.3Very high24 Ų2471.4 Ų71.420%0.19845%0.446CS..  trans-150.9129.7179.800000111H15 H19 Q39 G56 D57H15-A41 PolarHBondContact NE2-O 2.84Å; H15-A41 VanDerWaalsContact NE2-O 3.15Å; H19-A41 HydrophobicContact CB-CB 3.95Å; Q39-A41 PolarHBondContact O-N 2.96Å; A41-G56 WeakPolarHBondContact O-CA 3.5Å; A41-D57 PolarHBondContact N-OD2 3.08Å; A41-D57 PolarHBondContact O-N 3.43Å
42A98.8Very high98.3Very high58 Ų5872 Ų7248%0.47944%0.442SS..EExtended strand (participates in β ladder)trans-143.6153.3178.600000111.5A55A42-A55 WeakPolarHBondContact CA-O 3.23Å
43V98.8Very high98.3Very high52 Ų5266.7 Ų66.732%0.31542%0.418SS..EExtended strand (participates in β ladder)trans-142.9141.8171.654.30000108.4V11 H15 R54 A55V11-V43 HydrophobicContact CG1-CG1 3.96Å; H15-V43 HydrophobicContact CB-CG1 3.88Å; V43-R54 WeakPolarHBondContact O-CA 3.28Å; V43-A55 HydrophobicContact CG1-CB 4.33Å; V43-A55 PolarHBondContact N-O 3.1Å; V43-A55 VanDerWaalsContact N-O 3.15Å; V43-A55 PolarHBondContact O-N 3.13Å
44A98.7Very high98.3Very high61 Ų6171 Ų7150%0.50443%0.433SS..EExtended strand (participates in β ladder)trans-145.1155.1-178.200000112.2Y53 R54A44-Y53 CarbonylContact C-O 3.4Å; A44-Y53 WeakPolarHBondContact CA-O 3.47Å; A44-R54 HydrophobicContact CB-CB 4.14Å
45I98.7Very high98.3Very high58 Ų5869.9 Ų69.930%0.29742%0.423SS..EExtended strand (participates in β ladder)trans-125.1131.1168.8-67.3175.3000107.5L7 V11 T47 I52 Y53L7-I45 HydrophobicContact CD2-CG2 4.18Å; V11-I45 HydrophobicContact CG2-CB 4.36Å; V11-I45 HydrophobicContact CG2-CD1 3.68Å; V11-I45 HydrophobicContact CG2-CG1 3.8Å; I45-T47 HydrophobicContact CG2-CG2 4.06Å; I45-I52 WeakPolarHBondContact O-CA 3.48Å; I45-Y53 HydrophobicContact CB-CD2 4.34Å; I45-Y53 HydrophobicContact CG2-CD2 4.25Å; I45-Y53 PolarHBondContact N-O 3.21Å; I45-Y53 PolarHBondContact O-N 3.06Å
46V98.3Very high98.3Very high102 Ų10265.8 Ų65.862%0.61841%0.411SS*.EExtended strand (participates in β ladder)trans-117.5120.8163.5-175.70000107.2N51 I52V46-N51 WeakPolarHBondContact CA-O 2.9Å; V46-I52 HydrophobicContact CG1-CG1 4.48Å; V46-I52 HydrophobicContact CG2-CG1 4.29Å; V46-I52 HydrophobicContact CG2-CG2 4.47Å
47T98.2Very high98.3Very high15 Ų1567.7 Ų67.79%0.09242%0.42CS..  trans-84.3163.8-179.863.80000111.3L2 L7 I45 D49 G50 N51 Y53L2-T47 HydrophobicContact CD1-CG2 3.66Å; L7-T47 HydrophobicContact CD2-CG2 3.57Å; I45-T47 HydrophobicContact CG2-CG2 4.06Å; T47-D49 PolarHBondContact O-N 3.42Å; T47-D49 VanDerWaalsContact O-N 3.14Å; T47-G50 PolarHBondContact O-N 3.12Å; T47-N51 HydrophobicContact CG2-CB 4.43Å; T47-N51 PolarHBondContact N-O 3.45Å; T47-N51 WeakPolarHBondContact OG1-CB 3.49Å; T47-N51 PolarHBondContact OG1-N 3.15Å; T47-N51 VanDerWaalsContact OG1-N 3.1Å; T47-N51 PolarHBondContact OG1-O 2.79Å; T47-Y53 HydrophobicContact CG2-CE2 4.07Å
48C97.5Very high98.3Very high126 Ų12667 Ų6785%0.85142%0.417SS*.THydrogen-bonded Turntrans-61-20.8173.462.30000113.5G50C48-G50 VanDerWaalsContact C-N 3.29Å
49D97.2Very high98.4Very high109 Ų10969.7 Ų69.758%0.58342%0.416SS*.THydrogen-bonded Turntrans-86.11.8175.5-60.3-22.5000112.6T47 N51T47-D49 PolarHBondContact O-N 3.42Å; T47-D49 VanDerWaalsContact O-N 3.14Å; D49-N51 VanDerWaalsContact C-N 3.34Å; D49-N51 PolarHBondContact O-N 2.92Å
50G97Very high98.4Very high50 Ų5067.4 Ų67.452%0.51540%0.402SS..  trans81.63.2179.700000115.3T47 C48T47-G50 PolarHBondContact O-N 3.12Å; C48-G50 VanDerWaalsContact C-N 3.29Å
51N98Very high98.4Very high80 Ų8072.9 Ų72.943%0.42842%0.419SS..  trans-69.4136.6173.2-58.4-67.4000110.8V46 T47 D49 Y53V46-N51 WeakPolarHBondContact CA-O 2.9Å; T47-N51 HydrophobicContact CG2-CB 4.43Å; T47-N51 PolarHBondContact N-O 3.45Å; T47-N51 WeakPolarHBondContact OG1-CB 3.49Å; T47-N51 PolarHBondContact OG1-N 3.15Å; T47-N51 VanDerWaalsContact OG1-N 3.1Å; T47-N51 PolarHBondContact OG1-O 2.79Å; D49-N51 VanDerWaalsContact C-N 3.34Å; D49-N51 PolarHBondContact O-N 2.92Å; N51-Y53 HydrophobicContact CB-CE2 3.72Å
52I98.4Very high98.4Very high109 Ų10978.6 Ų78.656%0.55944%0.44SS*.EExtended strand (participates in β ladder)trans-117.9130.8-176-53179.1000109.7I45 V46I45-I52 WeakPolarHBondContact O-CA 3.48Å; V46-I52 HydrophobicContact CG1-CG1 4.48Å; V46-I52 HydrophobicContact CG2-CG1 4.29Å; V46-I52 HydrophobicContact CG2-CG2 4.47Å
53Y98.8Very high98.3Very high25 Ų2577.5 Ų77.510%0.09843%0.431CS..EExtended strand (participates in β ladder)trans-130132.7175.3-52.3-90.8000108.1A4 L7 Q8 A44 I45 T47 N51A4-Y53 WeakPolarHBondContact CA-OH 3.45Å; A4-Y53 HydrophobicContact CB-CE1 4Å; A4-Y53 WeakPolarHBondContact CB-OH 3.38Å; A4-Y53 WeakPolarHBondContact O-CE1 3.3Å; L7-Y53 HydrophobicContact CB-CD1 4.07Å; L7-Y53 HydrophobicContact CB-CD2 3.88Å; L7-Y53 HydrophobicContact CB-CE1 4.05Å; L7-Y53 HydrophobicContact CB-CE2 3.88Å; L7-Y53 HydrophobicContact CB-CG 3.98Å; L7-Y53 HydrophobicContact CD2-CD2 3.8Å; L7-Y53 HydrophobicContact CD2-CE2 3.41Å; L7-Y53 VanDerWaalsContact CD2-CE2 3.41Å; L7-Y53 HydrophobicContact CG-CD2 4.45Å; L7-Y53 HydrophobicContact CG-CE2 4.29Å; Q8-Y53 HydrophobicContact CB-CD1 4Å; A44-Y53 CarbonylContact C-O 3.4Å; A44-Y53 WeakPolarHBondContact CA-O 3.47Å; I45-Y53 HydrophobicContact CB-CD2 4.34Å; I45-Y53 HydrophobicContact CG2-CD2 4.25Å; I45-Y53 PolarHBondContact N-O 3.21Å; I45-Y53 PolarHBondContact O-N 3.06Å; T47-Y53 HydrophobicContact CG2-CE2 4.07Å; N51-Y53 HydrophobicContact CB-CE2 3.72Å
54R98.7Very high98.3Very high115 Ų11578.1 Ų78.143%0.43443%0.432SS..EExtended strand (participates in β ladder)trans-151153.4-172.564.8-162.8-173.1155.39.1112.5Q8 V43 A44 S58 D59Q8-R54 PolarHBondContact NE2-O 3.32Å; V43-R54 WeakPolarHBondContact O-CA 3.28Å; A44-R54 HydrophobicContact CB-CB 4.14Å; R54-S58 VanDerWaalsContact CD-OG 3.31Å; R54-S58 WeakPolarHBondContact CD-OG 3.37Å; R54-D59 IonicContact CZ-OD1 3.59Å; R54-D59 IonicContact CZ-OD2 3.26Å; R54-D59 IonicContact NH1-OD1 3.37Å; R54-D59 PolarHBondContact NH1-OD1 3.45Å; R54-D59 IonicContact NH1-OD2 3.85Å; R54-D59 PolarHBondContact NH1-OD2 3.39Å; R54-D59 IonicContact NH2-OD1 3.24Å; R54-D59 IonicContact NH2-OD2 3.64Å; R54-D59 PolarHBondContact NH2-OD2 3.14Å
55A98.8Very high98.3Very high14 Ų1479.4 Ų79.412%0.11643%0.427CS..EExtended strand (participates in β ladder)trans-142.4151171.200000110.3V11 H15 A42 V43V11-A55 HydrophobicContact CG1-CB 3.71Å; H15-A55 HydrophobicContact CB-CB 3.58Å; A42-A55 WeakPolarHBondContact CA-O 3.23Å; V43-A55 HydrophobicContact CG1-CB 4.33Å; V43-A55 PolarHBondContact N-O 3.1Å; V43-A55 VanDerWaalsContact N-O 3.15Å; V43-A55 PolarHBondContact O-N 3.13Å
56G98.7Very high98.3Very high40 Ų4079.5 Ų79.541%0.41243%0.434SS..EExtended strand (participates in β ladder)trans78.4-152.2179.900000114.9H15 A41 S58H15-G56 WeakPolarHBondContact NE2-CA 3.49Å; A41-G56 WeakPolarHBondContact O-CA 3.5Å; G56-S58 PolarHBondContact O-N 3.49Å
57D98.7Very high98.3Very high75 Ų7579.4 Ų79.440%0.40143%0.429SS..SBendtrans-74.839.7-175.1-53.9-73.6000113.5L40 A41 D59 Y60L40-D57 WeakPolarHBondContact CA-OD2 3.41Å; L40-D57 HydrophobicContact CD2-CB 3.78Å; L40-D57 VanDerWaalsContact CD2-CG 3.44Å; A41-D57 PolarHBondContact N-OD2 3.08Å; A41-D57 PolarHBondContact O-N 3.43Å; D57-D59 PolarHBondContact O-N 3.17Å; D57-Y60 VanDerWaalsContact O-CB 3.24Å; D57-Y60 WeakPolarHBondContact O-CB 3.25Å; D57-Y60 PolarHBondContact O-N 3.38Å
58S98.4Very high98.3Very high40 Ų4080.5 Ų80.528%0.2844%0.437SS..THydrogen-bonded Turntrans-64.1-12.9-169.158.30000115.9R54 G56R54-S58 VanDerWaalsContact CD-OG 3.31Å; R54-S58 WeakPolarHBondContact CD-OG 3.37Å; G56-S58 PolarHBondContact O-N 3.49Å
59D98.3Very high98.4Very high117 Ų11775.5 Ų75.563%0.62640%0.401SS*.THydrogen-bonded Turntrans-96.6-2.7174.8-69.8-43.1000112.7R54 D57R54-D59 IonicContact CZ-OD1 3.59Å; R54-D59 IonicContact CZ-OD2 3.26Å; R54-D59 IonicContact NH1-OD1 3.37Å; R54-D59 PolarHBondContact NH1-OD1 3.45Å; R54-D59 IonicContact NH1-OD2 3.85Å; R54-D59 PolarHBondContact NH1-OD2 3.39Å; R54-D59 IonicContact NH2-OD1 3.24Å; R54-D59 IonicContact NH2-OD2 3.64Å; R54-D59 PolarHBondContact NH2-OD2 3.14Å; D57-D59 PolarHBondContact O-N 3.17Å
60Y98.6Very high98.4Very high97 Ų9774.3 Ų74.338%0.3840%0.397SS..  trans-71.5128.7177.5-174.1-89.7000111.2V36 L40 D57 F62V36-Y60 HydrophobicContact CG1-CE1 4.3Å; L40-Y60 HydrophobicContact CD1-CD1 3.89Å; L40-Y60 HydrophobicContact CD1-CD2 3.84Å; L40-Y60 HydrophobicContact CD1-CE1 3.64Å; L40-Y60 HydrophobicContact CD1-CE2 3.58Å; L40-Y60 HydrophobicContact CD1-CG 3.99Å; L40-Y60 VanDerWaalsContact CD1-CZ 3.48Å; L40-Y60 HydrophobicContact CD2-CD2 4.16Å; L40-Y60 HydrophobicContact CD2-CG 4.37Å; D57-Y60 VanDerWaalsContact O-CB 3.24Å; D57-Y60 WeakPolarHBondContact O-CB 3.25Å; D57-Y60 PolarHBondContact O-N 3.38Å; Y60-F62 HydrophobicContact CD1-CB 4.31Å; Y60-F62 HydrophobicContact CE1-CB 4.21Å
61R98.5Very high98.5Very high164 Ų16472.5 Ų72.562%0.61938%0.376SS*.  trans-88.1123.4176.4-65.1179.6-178.2-93.4-8.1110.6Q150R61-Q150 VanDerWaalsContact NH1-C 3.34Å; R61-Q150 PolarHBondContact NH1-O 3.29Å
62F98.3Very high98.6Very high144 Ų14469.1 Ų69.163%0.63236%0.359SS*.  trans-122.2165.1174.463.4-87.9000110.8Y60 L64Y60-F62 HydrophobicContact CD1-CB 4.31Å; Y60-F62 HydrophobicContact CE1-CB 4.21Å; F62-L64 PolarHBondContact O-N 3.14Å
63A98.2Very high98.6Very high35 Ų3565.5 Ų65.529%0.28934%0.34SS..  trans-67.7129.5179.700000111.2F32 L33 E65F32-A63 HydrophobicContact CE1-CB 4.42Å; L33-A63 HydrophobicContact CD2-CB 4.16Å; A63-E65 VanDerWaalsContact C-N 3.29Å; A63-E65 HydrophobicContact CB-CG 3.96Å; A63-E65 PolarHBondContact O-N 3.48Å
64L98.2Very high98.6Very high64 Ų6465.7 Ų65.734%0.33535%0.347SS..  trans-64.1-33.4-179.2-173.265.3000112.8F62 S66 I67 Q143F62-L64 PolarHBondContact O-N 3.14Å; L64-S66 PolarHBondContact O-N 2.95Å; L64-I67 HydrophobicContact CD1-CB 3.69Å; L64-I67 HydrophobicContact CD1-CD1 4.44Å; L64-I67 HydrophobicContact CD1-CG2 3.65Å; L64-I67 HydrophobicContact CG-CB 4.03Å; L64-I67 HydrophobicContact CG-CG2 4.38Å; L64-I67 VanDerWaalsContact O-CB 3.29Å; L64-I67 WeakPolarHBondContact O-CB 3.47Å; L64-I67 PolarHBondContact O-N 3.34Å; L64-Q143 HydrophobicContact CD2-CG 4.39Å
65E98.2Very high98.6Very high88 Ų8860.8 Ų60.841%0.41133%0.329SS..G310 helixtrans50.8-137.7177.2-68.3-66.6170.900112.7Y29 A63 I67 S68Y29-E65 PolarHBondContact OH-OE1 3.18Å; A63-E65 VanDerWaalsContact C-N 3.29Å; A63-E65 HydrophobicContact CB-CG 3.96Å; A63-E65 PolarHBondContact O-N 3.48Å; E65-I67 PolarHBondContact O-N 2.89Å; E65-S68 VanDerWaalsContact O-CB 3.26Å; E65-S68 WeakPolarHBondContact O-CB 3.36Å; E65-S68 PolarHBondContact O-N 3.49Å; E65-S68 VanDerWaalsContact O-N 3.07Å; E65-S68 PolarHBondContact O-OG 2.92Å
66S98.4Very high98.6Very high61 Ų6160.1 Ų60.143%0.42732%0.324SS..G310 helixtrans-65.8-6.7-177.5-78.20000114.8L64 S68 K69L64-S66 PolarHBondContact O-N 2.95Å; S66-S68 PolarHBondContact O-N 2.77Å; S66-K69 WeakPolarHBondContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CD 3.47Å; S66-K69 WeakPolarHBondContact O-CG 3.31Å; S66-K69 PolarHBondContact O-N 3.32Å; S66-K69 VanDerWaalsContact OG-CE 3.28Å; S66-K69 WeakPolarHBondContact OG-CE 3.4Å; S66-K69 PolarHBondContact OG-NZ 3.28Å
67I98.6Very high98.6Very high100 Ų10061.4 Ų61.451%0.51332%0.321SS..G310 helixtrans-64.8-30.1170.5-59.4169.4000110L64 E65 K69 V70L64-I67 HydrophobicContact CD1-CB 3.69Å; L64-I67 HydrophobicContact CD1-CD1 4.44Å; L64-I67 HydrophobicContact CD1-CG2 3.65Å; L64-I67 HydrophobicContact CG-CB 4.03Å; L64-I67 HydrophobicContact CG-CG2 4.38Å; L64-I67 VanDerWaalsContact O-CB 3.29Å; L64-I67 WeakPolarHBondContact O-CB 3.47Å; L64-I67 PolarHBondContact O-N 3.34Å; E65-I67 PolarHBondContact O-N 2.89Å; I67-K69 PolarHBondContact O-N 2.97Å; I67-V70 PolarHBondContact O-N 3.11Å
68S98.8Very high98.6Very high37 Ų3765.5 Ų65.526%0.25934%0.337SS..Hα-helixtrans-53-25.5176.261.80000114.3E65 S66 V70 C71 T72E65-S68 VanDerWaalsContact O-CB 3.26Å; E65-S68 WeakPolarHBondContact O-CB 3.36Å; E65-S68 PolarHBondContact O-N 3.49Å; E65-S68 VanDerWaalsContact O-N 3.07Å; E65-S68 PolarHBondContact O-OG 2.92Å; S66-S68 PolarHBondContact O-N 2.77Å; S68-V70 PolarHBondContact O-N 3.14Å; S68-C71 PolarHBondContact O-N 3.1Å; S68-C71 VanDerWaalsContact O-N 3.14Å; S68-T72 PolarHBondContact O-N 2.91Å; S68-T72 VanDerWaalsContact O-N 3.11Å; S68-T72 PolarHBondContact O-OG1 3.02Å
69K98.8Very high98.6Very high22 Ų2265.2 Ų65.210%0.09633%0.333CS..Hα-helixtrans-57.7-34.1177.8-60.7175.2177.3164.80112.1S66 I67 L73 L115 N117 A120S66-K69 WeakPolarHBondContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CD 3.47Å; S66-K69 WeakPolarHBondContact O-CG 3.31Å; S66-K69 PolarHBondContact O-N 3.32Å; S66-K69 VanDerWaalsContact OG-CE 3.28Å; S66-K69 WeakPolarHBondContact OG-CE 3.4Å; S66-K69 PolarHBondContact OG-NZ 3.28Å; I67-K69 PolarHBondContact O-N 2.97Å; K69-L73 VanDerWaalsContact O-CB 3.25Å; K69-L73 WeakPolarHBondContact O-CB 3.41Å; K69-L73 PolarHBondContact O-N 3.14Å; K69-L115 HydrophobicContact CB-CD2 3.97Å; K69-L115 VanDerWaalsContact CD-O 3.24Å; K69-L115 WeakPolarHBondContact CD-O 3.28Å; K69-L115 PolarHBondContact NZ-O 3.28Å; K69-L115 VanDerWaalsContact NZ-O 3.08Å; K69-N117 PolarHBondContact NZ-OD1 3.05Å; K69-A120 HydrophobicContact CB-CB 4.44Å; K69-A120 HydrophobicContact CD-CB 3.82Å; K69-A120 HydrophobicContact CG-CB 3.66Å
70V98.9Very high98.7Very high84 Ų8461.9 Ų61.951%0.50932%0.317SS..Hα-helixtrans-66.6-45.9177.3177.80000110.9I67 S68 L73 A74 L115I67-V70 PolarHBondContact O-N 3.11Å; S68-V70 PolarHBondContact O-N 3.14Å; V70-L73 PolarHBondContact O-N 3.08Å; V70-A74 PolarHBondContact O-N 3.25Å; V70-L115 HydrophobicContact CG2-CD2 4.49Å
71C98.8Very high98.7Very high12 Ų1258.3 Ų58.38%0.08131%0.309CS..Hα-helixtrans-63.4-45.5179.8-55.10000111.5S68 L73 A74 L75 I142 Q143 L146S68-C71 PolarHBondContact O-N 3.1Å; S68-C71 VanDerWaalsContact O-N 3.14Å; C71-L73 VanDerWaalsContact C-N 3.34Å; C71-L73 PolarHBondContact O-N 3.12Å; C71-A74 WeakPolarHBondContact O-CB 3.31Å; C71-A74 PolarHBondContact O-N 3.3Å; C71-L75 PolarHBondContact O-N 3.4Å; C71-I142 HydrophobicContact CB-CG2 4.3Å; C71-Q143 HydrophobicContact CB-CG 3.71Å; C71-L146 HydrophobicContact CB-CD1 4.17Å
72T98.9Very high98.7Very high9 Ų955.2 Ų55.26%0.05531%0.31CS..Hα-helixtrans-66.1-37.1177.6-55.60000111.9S68 L75 A76 T123 I127 I139S68-T72 PolarHBondContact O-N 2.91Å; S68-T72 VanDerWaalsContact O-N 3.11Å; S68-T72 PolarHBondContact O-OG1 3.02Å; T72-L75 PolarHBondContact O-N 2.76Å; T72-A76 WeakPolarHBondContact O-CB 3.5Å; T72-A76 PolarHBondContact O-N 3.43Å; T72-T123 HydrophobicContact CG2-CG2 4.15Å; T72-I127 HydrophobicContact CG2-CD1 4.1Å; T72-I127 HydrophobicContact CG2-CG1 4.13Å; T72-I139 HydrophobicContact CG2-CD1 4.22Å; T72-I139 HydrophobicContact CG2-CG1 4.42Å
73L98.9Very high98.7Very high33 Ų3353.7 Ų53.717%0.17331%0.305CS..Hα-helixtrans-62.1-45.3172.6173.660.3000111.8K69 V70 C71 L75 A76 L77 V85 P114 L115K69-L73 VanDerWaalsContact O-CB 3.25Å; K69-L73 WeakPolarHBondContact O-CB 3.41Å; K69-L73 PolarHBondContact O-N 3.14Å; V70-L73 PolarHBondContact O-N 3.08Å; C71-L73 VanDerWaalsContact C-N 3.34Å; C71-L73 PolarHBondContact O-N 3.12Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.36Å; L73-A76 PolarHBondContact O-N 3.24Å; L73-L77 HydrophobicContact CD1-CD1 4.11Å; L73-L77 HydrophobicContact CD1-CG 4.12Å; L73-L77 HydrophobicContact CG-CD1 4.06Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.05Å; L73-V85 HydrophobicContact CD1-CG1 3.79Å; L73-P114 HydrophobicContact CB-CB 4.48Å; L73-P114 HydrophobicContact CD1-CB 3.87Å; L73-P114 HydrophobicContact CD1-CG 3.79Å; L73-P114 HydrophobicContact CD2-CB 4.18Å; L73-P114 HydrophobicContact CD2-CG 3.63Å; L73-P114 HydrophobicContact CG-CB 4.4Å; L73-P114 HydrophobicContact CG-CG 4.26Å; L73-L115 HydrophobicContact CD2-CD2 4.32Å
74A98.9Very high98.7Very high29 Ų2953.4 Ų53.424%0.2430%0.303CS..Hα-helixtrans-56.6-46.2176.100000110.9V70 C71 A76 L77 E78 I142 L146V70-A74 PolarHBondContact O-N 3.25Å; C71-A74 WeakPolarHBondContact O-CB 3.31Å; C71-A74 PolarHBondContact O-N 3.3Å; A74-A76 PolarHBondContact O-N 2.85Å; A74-L77 PolarHBondContact O-N 3.48Å; A74-E78 PolarHBondContact O-N 3.27Å; A74-E78 VanDerWaalsContact O-N 3.17Å; A74-I142 HydrophobicContact CB-CD1 4.48Å; A74-L146 HydrophobicContact CB-CD1 4.19Å
75L98.9Very high98.8Very high12 Ų1250.7 Ų50.76%0.06329%0.289CS..Hα-helixtrans-61.5-43.1176.5-170.360.2000113C71 T72 L73 L77 E78 D79 I127 R138 I139 I142C71-L75 PolarHBondContact O-N 3.4Å; T72-L75 PolarHBondContact O-N 2.76Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.36Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.01Å; L75-E78 PolarHBondContact O-N 3.5Å; L75-D79 WeakPolarHBondContact O-CB 3.29Å; L75-D79 PolarHBondContact O-N 3.21Å; L75-I127 HydrophobicContact CB-CD1 3.95Å; L75-I127 HydrophobicContact CD2-CD1 3.94Å; L75-I127 HydrophobicContact CD2-CG1 4.26Å; L75-I127 HydrophobicContact CD2-CG2 3.7Å; L75-I127 HydrophobicContact CG-CD1 3.89Å; L75-I127 HydrophobicContact CG-CG2 4.33Å; L75-R138 HydrophobicContact CD2-CB 3.96Å; L75-I139 HydrophobicContact CD2-CG1 4.08Å; L75-I142 HydrophobicContact CB-CD1 3.93Å; L75-I142 HydrophobicContact CB-CG2 4.08Å; L75-I142 HydrophobicContact CD1-CB 4.46Å; L75-I142 HydrophobicContact CD1-CD1 3.85Å; L75-I142 HydrophobicContact CD2-CG2 4.21Å; L75-I142 HydrophobicContact CG-CD1 4.49Å
76A98.9Very high98.8Very high0 Ų051 Ų510%029%0.29CS..Hα-helixtrans-63.3-37.9178.700000111.8T72 L73 A74 D79 V80 V85 T123 I127T72-A76 WeakPolarHBondContact O-CB 3.5Å; T72-A76 PolarHBondContact O-N 3.43Å; L73-A76 PolarHBondContact O-N 3.24Å; A74-A76 PolarHBondContact O-N 2.85Å; A76-D79 PolarHBondContact O-N 3.26Å; A76-V80 WeakPolarHBondContact O-CG2 3.35Å; A76-V80 PolarHBondContact O-N 3.17Å; A76-V85 HydrophobicContact CB-CG2 4.19Å; A76-T123 HydrophobicContact CB-CG2 3.63Å; A76-I127 HydrophobicContact CB-CD1 3.77Å
77L98.9Very high98.8Very high66 Ų6652.7 Ų52.735%0.34629%0.294SS..Hα-helixtrans-64.1-40.4176.4-72166.5000111.9L73 A74 L75 G81 P82 V85L73-L77 HydrophobicContact CD1-CD1 4.11Å; L73-L77 HydrophobicContact CD1-CG 4.12Å; L73-L77 HydrophobicContact CG-CD1 4.06Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.05Å; A74-L77 PolarHBondContact O-N 3.48Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.01Å; L77-G81 WeakPolarHBondContact O-CA 3.36Å; L77-G81 PolarHBondContact O-N 3.2Å; L77-P82 HydrophobicContact CD2-CB 4.12Å; L77-V85 HydrophobicContact CD2-CB 4.02Å; L77-V85 HydrophobicContact CD2-CG1 4.33Å; L77-V85 HydrophobicContact CD2-CG2 3.79Å; L77-V85 HydrophobicContact CG-CG2 4.23Å
78E98.8Very high98.8Very high161 Ų16154.9 Ų54.975%0.75230%0.3SS*.Hα-helixtrans-65.6-38.2173.4-64.2-58.5136.100112.1A74 L75A74-E78 PolarHBondContact O-N 3.27Å; A74-E78 VanDerWaalsContact O-N 3.17Å; L75-E78 PolarHBondContact O-N 3.5Å
79D98.8Very high98.8Very high34 Ų3453.3 Ų53.318%0.18229%0.289CS..Hα-helixtrans-74.5-43.4-174.8-87.2-11.3000114.7L75 A76 N128 R138L75-D79 WeakPolarHBondContact O-CB 3.29Å; L75-D79 PolarHBondContact O-N 3.21Å; A76-D79 PolarHBondContact O-N 3.26Å; D79-N128 HydrophobicContact CB-CB 4.45Å; D79-N128 WeakPolarHBondContact CB-ND2 3.34Å; D79-N128 PolarHBondContact O-ND2 3.49Å; D79-N128 PolarHBondContact OD2-N 3.17Å; D79-R138 IonicContact OD1-CZ 3.42Å; D79-R138 IonicContact OD1-NH1 2.68Å; D79-R138 PolarHBondContact OD1-NH1 3.35Å; D79-R138 IonicContact OD1-NH2 2.68Å; D79-R138 PolarHBondContact OD1-NH2 3.17Å; D79-R138 IonicContact OD2-CZ 3.51Å; D79-R138 IonicContact OD2-NH1 3.3Å; D79-R138 PolarHBondContact OD2-NH1 3.5Å; D79-R138 IonicContact OD2-NH2 3.43Å; D79-R138 PolarHBondContact OD2-NH2 3.49Å
80V98.8Very high98.8Very high48 Ų4852.4 Ų52.429%0.29129%0.286SS..Hα-helixtrans-126.2-4.9-170.2-58.60000113.6A76 A84 V85 L126A76-V80 WeakPolarHBondContact O-CG2 3.35Å; A76-V80 PolarHBondContact O-N 3.17Å; V80-A84 HydrophobicContact CB-CB 3.77Å; V80-A84 HydrophobicContact CG2-CB 3.71Å; V80-A84 VanDerWaalsContact O-CB 3.22Å; V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-V85 HydrophobicContact CG2-CG2 3.93Å; V80-L126 HydrophobicContact CG1-CG 4.32Å; V80-L126 HydrophobicContact CG2-CD2 3.71Å; V80-L126 HydrophobicContact CG2-CG 3.92Å
81G98.8Very high98.8Very high21 Ų2151.7 Ų51.722%0.21629%0.289CS..Hα-helixtrans77.6164.6-179.200000114.3L77 Q83 A84 V85L77-G81 WeakPolarHBondContact O-CA 3.36Å; L77-G81 PolarHBondContact O-N 3.2Å; G81-Q83 PolarHBondContact O-N 3.4Å; G81-A84 PolarHBondContact O-N 3.1Å; G81-V85 PolarHBondContact O-N 3.36Å
82P98.8Very high98.7Very high99 Ų9955.7 Ų55.764%0.64331%0.309SS*.Hα-helixtrans-63.8-38-17424.3-34.2000113.5L77 A84 V85 Q86L77-P82 HydrophobicContact CD2-CB 4.12Å; P82-A84 PolarHBondContact O-N 2.93Å; P82-V85 PolarHBondContact O-N 3.13Å; P82-Q86 WeakPolarHBondContact O-CB 3.25Å; P82-Q86 PolarHBondContact O-N 3.44Å
83Q98.8Very high98.7Very high112 Ų11260.6 Ų60.652%0.52334%0.341SS..Hα-helixtrans-63.2-44.6-179-169.662.357.400111.3G81 V85 Q86 D87G81-Q83 PolarHBondContact O-N 3.4Å; Q83-V85 PolarHBondContact O-N 2.97Å; Q83-Q86 PolarHBondContact O-N 3.46Å; Q83-D87 PolarHBondContact NE2-OD1 3.42Å; Q83-D87 WeakPolarHBondContact O-CB 3.41Å; Q83-D87 PolarHBondContact O-N 3.4Å
84A98.8Very high98.6Very high29 Ų2960 Ų6024%0.2434%0.339CS..Hα-helixtrans-65.5-39.1178.800000111.9V80 G81 P82 D87 K88V80-A84 HydrophobicContact CB-CB 3.77Å; V80-A84 HydrophobicContact CG2-CB 3.71Å; V80-A84 VanDerWaalsContact O-CB 3.22Å; V80-A84 WeakPolarHBondContact O-CB 3.39Å; G81-A84 PolarHBondContact O-N 3.1Å; P82-A84 PolarHBondContact O-N 2.93Å; A84-D87 PolarHBondContact O-N 2.92Å; A84-K88 VanDerWaalsContact O-CB 3.23Å; A84-K88 WeakPolarHBondContact O-CB 3.4Å; A84-K88 WeakPolarHBondContact O-CG 3.41Å; A84-K88 PolarHBondContact O-N 2.93Å
85V98.9Very high98.5Very high8 Ų862.4 Ų62.45%0.04837%0.367CS..Hα-helixtrans-61.9-45.9174174.10000110.9L73 A76 L77 V80 G81 P82 Q83 D87 I89 G90 L126L73-V85 HydrophobicContact CD1-CG1 3.79Å; A76-V85 HydrophobicContact CB-CG2 4.19Å; L77-V85 HydrophobicContact CD2-CB 4.02Å; L77-V85 HydrophobicContact CD2-CG1 4.33Å; L77-V85 HydrophobicContact CD2-CG2 3.79Å; L77-V85 HydrophobicContact CG-CG2 4.23Å; V80-V85 HydrophobicContact CG2-CG2 3.93Å; G81-V85 PolarHBondContact O-N 3.36Å; P82-V85 PolarHBondContact O-N 3.13Å; Q83-V85 PolarHBondContact O-N 2.97Å; V85-D87 PolarHBondContact O-N 3.17Å; V85-I89 HydrophobicContact CG1-CG1 4.47Å; V85-I89 WeakPolarHBondContact O-CA 3.26Å; V85-I89 VanDerWaalsContact O-CB 3.25Å; V85-I89 WeakPolarHBondContact O-CB 3.5Å; V85-I89 PolarHBondContact O-N 2.95Å; V85-G90 PolarHBondContact O-N 3.48Å; V85-L126 HydrophobicContact CG2-CD2 4.26Å
86Q98.7Very high98.4Very high95 Ų9565.2 Ų65.244%0.44438%0.381SS..Hα-helixtrans-63.1-41.6177.9-171.4178.622.100112.4P82 Q83 G90 A91 K110P82-Q86 WeakPolarHBondContact O-CB 3.25Å; P82-Q86 PolarHBondContact O-N 3.44Å; Q83-Q86 PolarHBondContact O-N 3.46Å; Q86-G90 VanDerWaalsContact O-CA 3.28Å; Q86-G90 WeakPolarHBondContact O-CA 3.26Å; Q86-G90 PolarHBondContact O-N 3.19Å; Q86-A91 HydrophobicContact CG-CB 4.44Å; Q86-K110 PolarHBondContact O-NZ 2.86Å
87D98.6Very high98.2Very high95 Ų9569 Ų6951%0.50841%0.406SS..Hα-helixtrans-69.3-48.4-178.5-68.4-13.9000111.3Q83 A84 V85 K110Q83-D87 PolarHBondContact NE2-OD1 3.42Å; Q83-D87 WeakPolarHBondContact O-CB 3.41Å; Q83-D87 PolarHBondContact O-N 3.4Å; A84-D87 PolarHBondContact O-N 2.92Å; V85-D87 PolarHBondContact O-N 3.17Å; D87-K110 WeakPolarHBondContact O-CE 3.38Å; D87-K110 PolarHBondContact O-NZ 2.99Å
88K98.5Very high97.9Very high147 Ų14771.8 Ų71.864%0.63942%0.416SS*.Hα-helixtrans-82.9-32-173.3-61.2-66.9-175.6-178.90113.6A84 L126A84-K88 VanDerWaalsContact O-CB 3.23Å; A84-K88 WeakPolarHBondContact O-CB 3.4Å; A84-K88 WeakPolarHBondContact O-CG 3.41Å; A84-K88 PolarHBondContact O-N 2.93Å; K88-L126 HydrophobicContact CB-CD2 4.39Å; K88-L126 HydrophobicContact CG-CD1 4.36Å
89I98.7Very high97.7Very high3 Ų368.7 Ų68.72%0.01540%0.404CS..THydrogen-bonded Turntrans-114.4-61.3-175.2-45.4-61.3000109.8V85 K110 P111 L112 P114 A122 L126V85-I89 HydrophobicContact CG1-CG1 4.47Å; V85-I89 WeakPolarHBondContact O-CA 3.26Å; V85-I89 VanDerWaalsContact O-CB 3.25Å; V85-I89 WeakPolarHBondContact O-CB 3.5Å; V85-I89 PolarHBondContact O-N 2.95Å; I89-K110 WeakPolarHBondContact O-CE 3.23Å; I89-P111 HydrophobicContact CG2-CG 4.13Å; I89-L112 WeakPolarHBondContact O-CA 3.39Å; I89-L112 PolarHBondContact O-N 2.91Å; I89-L112 VanDerWaalsContact O-N 3.1Å; I89-P114 HydrophobicContact CG2-CB 4.04Å; I89-A122 HydrophobicContact CD1-CB 3.53Å; I89-L126 HydrophobicContact CD1-CD2 4.38Å; I89-L126 HydrophobicContact CG1-CD2 4.15Å
90G98.5Very high97.6Very high4 Ų468 Ų684%0.04140%0.402CS..  trans121.4176.3-176.200000113.1V85 Q86 L112 P114V85-G90 PolarHBondContact O-N 3.48Å; Q86-G90 VanDerWaalsContact O-CA 3.28Å; Q86-G90 WeakPolarHBondContact O-CA 3.26Å; Q86-G90 PolarHBondContact O-N 3.19Å; G90-L112 CarbonylContact C-O 3.39Å; G90-L112 WeakPolarHBondContact CA-O 3.36Å; G90-P114 WeakPolarHBondContact O-CD 3.4Å
91A98.6Very high97.6Very high68 Ų6871 Ų7156%0.56242%0.42SS*.SBendtrans-138.515.9-179.100000112.8Q86 L112Q86-A91 HydrophobicContact CG-CB 4.44Å; A91-L112 PolarHBondContact N-O 3.15Å
92D98.4Very high97.5Very high96 Ų9674.6 Ų74.651%0.51343%0.434SS..SBendtrans-113.7146-170.2-61.9-59.1000111.6L112 S113D92-L112 HydrophobicContact CB-CD1 4.41Å; D92-L112 PolarHBondContact N-O 3.45Å; D92-L112 CarbonylContact O-C 3.48Å; D92-S113 WeakPolarHBondContact O-CB 3.41Å
93P97.9Very high97.4Very high112 Ų11270.1 Ų70.173%0.72741%0.405SS*.  trans-68148170.930.5-34.8000111
94T97.1Very high97.4Very high22 Ų2267 Ų6714%0.13539%0.392CS..  trans-82.4-18176.958.70000113.6L96 A103 L112 V116T94-L96 PolarHBondContact O-N 3.5Å; T94-L96 VanDerWaalsContact O-N 3.17Å; T94-L96 PolarHBondContact OG1-N 3.47Å; T94-L96 PolarHBondContact OG1-O 2.85Å; T94-A103 HydrophobicContact CG2-CB 4.02Å; T94-L112 HydrophobicContact CG2-CB 4.12Å; T94-V116 HydrophobicContact CG2-CG1 4.01Å; T94-V116 HydrophobicContact CG2-CG2 4.23Å
95G96.8Very high97.3Very high79 Ų7973.5 Ų73.581%0.81442%0.417SS*.SBendtrans64.810.3-169.800000114.4
96L96.6Very high97.3Very high70 Ų7079 Ų7937%0.36645%0.446SS..SBendtrans-133166.7-170.9-70.6172.5000110.8T94 I102 A103 L106T94-L96 PolarHBondContact O-N 3.5Å; T94-L96 VanDerWaalsContact O-N 3.17Å; T94-L96 PolarHBondContact OG1-N 3.47Å; T94-L96 PolarHBondContact OG1-O 2.85Å; L96-I102 HydrophobicContact CD1-CB 4.48Å; L96-I102 HydrophobicContact CD1-CG2 4.24Å; L96-A103 HydrophobicContact CB-CB 4.34Å; L96-A103 HydrophobicContact CD1-CB 3.73Å; L96-L106 HydrophobicContact CD1-CD1 4.27Å
97P95.6Very high97.2Very high81 Ų8178.8 Ų78.853%0.52645%0.445SS..  trans-53.7154.6179-28.235.9000114N99 S100P97-N99 PolarHBondContact O-N 2.9Å; P97-S100 VanDerWaalsContact O-CB 3.23Å; P97-S100 WeakPolarHBondContact O-CB 3.38Å; P97-S100 PolarHBondContact O-N 3.46Å
98F92.4Very high97.2Very high123 Ų12378 Ų7854%0.53946%0.459SS..THydrogen-bonded Turntrans-55.8-22.3-174.775.3-80.9000115.4N117F98-N117 WeakPolarHBondContact CE2-ND2 3.44Å; F98-N117 PolarHBondContact O-N 2.98Å
99N93.9Very high97.1Very high96 Ų9673.4 Ų73.451%0.51345%0.453SS..THydrogen-bonded Turntrans-116.918.7-178.865.8-18.6000113.1P97 V101P97-N99 PolarHBondContact O-N 2.9Å; N99-V101 PolarHBondContact O-N 3.17Å
100S97.3Very high97Very high20 Ų2077 Ų7714%0.1447%0.469CS..  trans-66.6113.9-174.4-178.10000112.8P97 I102 A103P97-S100 VanDerWaalsContact O-CB 3.23Å; P97-S100 WeakPolarHBondContact O-CB 3.38Å; P97-S100 PolarHBondContact O-N 3.46Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact OG-N 3.34Å; S100-A103 PolarHBondContact OG-N 2.87Å; S100-A103 VanDerWaalsContact OG-N 3.13Å
101V97Very high97Very high111 Ų11177.5 Ų77.567%0.67347%0.471SS*.Hα-helixtrans-74.4-24168.3-62.80000112.2N99 A103 L104 E105N99-V101 PolarHBondContact O-N 3.17Å; V101-A103 VanDerWaalsContact C-N 3.28Å; V101-A103 PolarHBondContact O-N 3.24Å; V101-L104 WeakPolarHBondContact O-CB 3.18Å; V101-L104 PolarHBondContact O-N 3.35Å; V101-L104 VanDerWaalsContact O-N 3.17Å; V101-E105 PolarHBondContact O-N 2.99Å
102I97.6Very high97Very high96 Ų9675.1 Ų75.149%0.49245%0.449SS..Hα-helixtrans-62.9-39.1174.2-63.1172.2000110L96 S100 L104 E105 L106L96-I102 HydrophobicContact CD1-CB 4.48Å; L96-I102 HydrophobicContact CD1-CG2 4.24Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact OG-N 3.34Å; I102-L104 VanDerWaalsContact C-N 3.26Å; I102-L104 PolarHBondContact O-N 2.95Å; I102-E105 PolarHBondContact O-N 3.34Å; I102-L106 HydrophobicContact CG2-CD1 3.78Å; I102-L106 HydrophobicContact CG2-CG 4.05Å; I102-L106 WeakPolarHBondContact O-CB 3.24Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.3Å; I102-L106 PolarHBondContact O-N 3.42Å
103A97.2Very high97Very high5 Ų571.4 Ų71.44%0.04143%0.431CS..Hα-helixtrans-58-41.8175.600000111.4T94 L96 S100 V101 H107T94-A103 HydrophobicContact CG2-CB 4.02Å; L96-A103 HydrophobicContact CB-CB 4.34Å; L96-A103 HydrophobicContact CD1-CB 3.73Å; S100-A103 PolarHBondContact OG-N 2.87Å; S100-A103 VanDerWaalsContact OG-N 3.13Å; V101-A103 VanDerWaalsContact C-N 3.28Å; V101-A103 PolarHBondContact O-N 3.24Å; A103-H107 PolarHBondContact O-CD2 3.35Å; A103-H107 PolarHBondContact O-N 3.01Å
104L97.3Very high97.1Very high48 Ų4866.7 Ų66.725%0.25140%0.4SS..Hα-helixtrans-64.2-48.6176.2-65.8171.1000111.1V101 I102 L106 H107 G108 G109 K110 P111 A118V101-L104 WeakPolarHBondContact O-CB 3.18Å; V101-L104 PolarHBondContact O-N 3.35Å; V101-L104 VanDerWaalsContact O-N 3.17Å; I102-L104 VanDerWaalsContact C-N 3.26Å; I102-L104 PolarHBondContact O-N 2.95Å; L104-L106 PolarHBondContact O-N 3.26Å; L104-H107 CarbonylContact O-C 3.2Å; L104-H107 PolarHBondContact O-N 3.25Å; L104-H107 VanDerWaalsContact O-N 3.13Å; L104-G108 PolarHBondContact O-N 3.48Å; L104-G108 VanDerWaalsContact O-N 3.15Å; L104-G109 WeakPolarHBondContact O-CA 3.28Å; L104-G109 PolarHBondContact O-N 3.04Å; L104-K110 WeakPolarHBondContact CD2-O 3.43Å; L104-P111 HydrophobicContact CD2-CB 4.12Å; L104-A118 HydrophobicContact CD1-CB 3.92Å; L104-A118 HydrophobicContact CD2-CB 3.8Å; L104-A118 HydrophobicContact CG-CB 4.19Å
105E97.9Very high97.1Very high165 Ų16569.7 Ų69.777%0.77141%0.414SS*.Hα-helixtrans-61.7-43.7-177.4-169.8172.3-120.100112.3V101 I102 H107 G108V101-E105 PolarHBondContact O-N 2.99Å; I102-E105 PolarHBondContact O-N 3.34Å; E105-H107 PolarHBondContact O-N 3.07Å; E105-H107 VanDerWaalsContact O-N 3.15Å; E105-G108 PolarHBondContact O-N 3.08Å
106L97.6Very high97.2Very high123 Ų12367 Ų6764%0.64438%0.382SS*.Hα-helixtrans-61.8-21.8177-71.2175.5000113.7L96 I102 L104L96-L106 HydrophobicContact CD1-CD1 4.27Å; I102-L106 HydrophobicContact CG2-CD1 3.78Å; I102-L106 HydrophobicContact CG2-CG 4.05Å; I102-L106 WeakPolarHBondContact O-CB 3.24Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.3Å; I102-L106 PolarHBondContact O-N 3.42Å; L104-L106 PolarHBondContact O-N 3.26Å
107H97.8Very high97.3Very high91 Ų9166.1 Ų66.142%0.42138%0.378SS..THydrogen-bonded Turntrans-119.425.2-176.8-63.6-67.3000113.2A103 L104 E105 G109 K110 L112A103-H107 PolarHBondContact O-CD2 3.35Å; A103-H107 PolarHBondContact O-N 3.01Å; L104-H107 CarbonylContact O-C 3.2Å; L104-H107 PolarHBondContact O-N 3.25Å; L104-H107 VanDerWaalsContact O-N 3.13Å; E105-H107 PolarHBondContact O-N 3.07Å; E105-H107 VanDerWaalsContact O-N 3.15Å; H107-G109 VanDerWaalsContact C-N 3.26Å; H107-G109 PolarHBondContact O-N 3.39Å; H107-K110 PolarHBondContact O-N 2.65Å; H107-L112 HydrophobicContact CB-CD2 3.54Å
108G97.4Very high97.4Very high78 Ų7863.9 Ų63.980%0.80437%0.366SS*.THydrogen-bonded Turntrans62.232.2173.300000113.8L104 E105L104-G108 PolarHBondContact O-N 3.48Å; L104-G108 VanDerWaalsContact O-N 3.15Å; E105-G108 PolarHBondContact O-N 3.08Å
109G97.1Very high97.7Very high51 Ų5158 Ų5853%0.52634%0.34SS..THydrogen-bonded Turntrans87-4.4179.400000115.2L104 H107L104-G109 WeakPolarHBondContact O-CA 3.28Å; L104-G109 PolarHBondContact O-N 3.04Å; H107-G109 VanDerWaalsContact C-N 3.26Å; H107-G109 PolarHBondContact O-N 3.39Å
110K97.9Very high98Very high78 Ų7854 Ų5434%0.33932%0.321SS..  trans-70.1137.9174.4-165.7171.1-178.5172.60109.5Q86 D87 I89 L104 H107 L112Q86-K110 PolarHBondContact O-NZ 2.86Å; D87-K110 WeakPolarHBondContact O-CE 3.38Å; D87-K110 PolarHBondContact O-NZ 2.99Å; I89-K110 WeakPolarHBondContact O-CE 3.23Å; L104-K110 WeakPolarHBondContact CD2-O 3.43Å; H107-K110 PolarHBondContact O-N 2.65Å; K110-L112 HydrophobicContact CB-CD2 4.16Å; K110-L112 HydrophobicContact CG-CD2 4.42Å; K110-L112 WeakPolarHBondContact O-CD2 3.36Å
111P98.3Very high98Very high15 Ų1559 Ų5910%0.09735%0.345CS..  trans-84.4-13.3-177.630.5-34.8000115.8I89 L104 S113 V116 A118 G119 A122I89-P111 HydrophobicContact CG2-CG 4.13Å; L104-P111 HydrophobicContact CD2-CB 4.12Å; P111-S113 PolarHBondContact O-N 2.98Å; P111-V116 WeakPolarHBondContact O-CG2 3.37Å; P111-A118 HydrophobicContact CB-CB 3.95Å; P111-G119 VanDerWaalsContact CB-CA 3.42Å; P111-A122 HydrophobicContact CG-CB 4.35Å
112L98.1Very high98.1Very high18 Ų1855.1 Ų55.19%0.09432%0.324CS..  trans70.1-40.7174.1-68.4-69.2000115.2I89 G90 A91 D92 T94 H107 K110I89-L112 WeakPolarHBondContact O-CA 3.39Å; I89-L112 PolarHBondContact O-N 2.91Å; I89-L112 VanDerWaalsContact O-N 3.1Å; G90-L112 CarbonylContact C-O 3.39Å; G90-L112 WeakPolarHBondContact CA-O 3.36Å; A91-L112 PolarHBondContact N-O 3.15Å; D92-L112 HydrophobicContact CB-CD1 4.41Å; D92-L112 PolarHBondContact N-O 3.45Å; D92-L112 CarbonylContact O-C 3.48Å; T94-L112 HydrophobicContact CG2-CB 4.12Å; H107-L112 HydrophobicContact CB-CD2 3.54Å; K110-L112 HydrophobicContact CB-CD2 4.16Å; K110-L112 HydrophobicContact CG-CD2 4.42Å; K110-L112 WeakPolarHBondContact O-CD2 3.36Å
113S98.6Very high98.2Very high18 Ų1850.6 Ų50.613%0.12630%0.301CS..  trans-134.5134.6-177.6-177.80000111.4D92 P111 L115 V116 G119D92-S113 WeakPolarHBondContact O-CB 3.41Å; P111-S113 PolarHBondContact O-N 2.98Å; S113-L115 PolarHBondContact O-N 2.97Å; S113-L115 VanDerWaalsContact O-N 3.08Å; S113-L115 PolarHBondContact OG-N 3.2Å; S113-L115 VanDerWaalsContact OG-N 3.14Å; S113-V116 WeakPolarHBondContact O-CG2 3.29Å; S113-V116 PolarHBondContact O-N 3.14Å; S113-G119 VanDerWaalsContact O-CA 3.28Å; S113-G119 WeakPolarHBondContact O-CA 3.11Å
114P98.6Very high98.3Very high12 Ų1252.8 Ų52.88%0.07831%0.314CS..THydrogen-bonded Turntrans-63.6-11.1170.327.3-34.6000113.3L73 I89 G90 A120 T123L73-P114 HydrophobicContact CB-CB 4.48Å; L73-P114 HydrophobicContact CD1-CB 3.87Å; L73-P114 HydrophobicContact CD1-CG 3.79Å; L73-P114 HydrophobicContact CD2-CB 4.18Å; L73-P114 HydrophobicContact CD2-CG 3.63Å; L73-P114 HydrophobicContact CG-CB 4.4Å; L73-P114 HydrophobicContact CG-CG 4.26Å; I89-P114 HydrophobicContact CG2-CB 4.04Å; G90-P114 WeakPolarHBondContact O-CD 3.4Å; P114-A120 VanDerWaalsContact O-CA 3.31Å; P114-A120 WeakPolarHBondContact O-CA 3.33Å; P114-A120 WeakPolarHBondContact O-CB 3.43Å; P114-A120 PolarHBondContact O-N 3.33Å; P114-T123 WeakPolarHBondContact CB-OG1 3.31Å
115L98.7Very high98.3Very high85 Ų8554.5 Ų54.545%0.44533%0.33SS..THydrogen-bonded Turntrans-100.2-8.6-172.2-52.9-175.5000114K69 V70 L73 S113K69-L115 HydrophobicContact CB-CD2 3.97Å; K69-L115 VanDerWaalsContact CD-O 3.24Å; K69-L115 WeakPolarHBondContact CD-O 3.28Å; K69-L115 PolarHBondContact NZ-O 3.28Å; K69-L115 VanDerWaalsContact NZ-O 3.08Å; V70-L115 HydrophobicContact CG2-CD2 4.49Å; L73-L115 HydrophobicContact CD2-CD2 4.32Å; S113-L115 PolarHBondContact O-N 2.97Å; S113-L115 VanDerWaalsContact O-N 3.08Å; S113-L115 PolarHBondContact OG-N 3.2Å; S113-L115 VanDerWaalsContact OG-N 3.14Å
116V98.3Very high98.3Very high23 Ų2348.3 Ų48.314%0.13930%0.302CS..SBendtrans-86.5159.9164.1-57.90000110.1T94 P111 S113 A118 G119 A120T94-V116 HydrophobicContact CG2-CG1 4.01Å; T94-V116 HydrophobicContact CG2-CG2 4.23Å; P111-V116 WeakPolarHBondContact O-CG2 3.37Å; S113-V116 WeakPolarHBondContact O-CG2 3.29Å; S113-V116 PolarHBondContact O-N 3.14Å; V116-A118 VanDerWaalsContact C-N 3.31Å; V116-A118 PolarHBondContact O-N 3.25Å; V116-G119 PolarHBondContact O-N 3.25Å; V116-A120 WeakPolarHBondContact O-CB 3.37Å; V116-A120 PolarHBondContact O-N 3.18Å
117N98.5Very high98.4Very high52 Ų5242.6 Ų42.628%0.27827%0.272SS..Hα-helixtrans-58.9-42.1-173-76.610.3000112.8K69 F98 G119 A120 I121K69-N117 PolarHBondContact NZ-OD1 3.05Å; F98-N117 WeakPolarHBondContact CE2-ND2 3.44Å; F98-N117 PolarHBondContact O-N 2.98Å; N117-G119 PolarHBondContact O-N 3.39Å; N117-A120 PolarHBondContact O-N 2.95Å; N117-I121 VanDerWaalsContact O-CG1 3.3Å; N117-I121 WeakPolarHBondContact O-CG1 3.29Å; N117-I121 PolarHBondContact O-N 3.07Å
118A98.4Very high98.4Very high33 Ų3342.4 Ų42.427%0.27327%0.274SS..Hα-helixtrans-61.2-46.1178.900000112.1L104 P111 V116 I121 A122L104-A118 HydrophobicContact CD1-CB 3.92Å; L104-A118 HydrophobicContact CD2-CB 3.8Å; L104-A118 HydrophobicContact CG-CB 4.19Å; P111-A118 HydrophobicContact CB-CB 3.95Å; V116-A118 VanDerWaalsContact C-N 3.31Å; V116-A118 PolarHBondContact O-N 3.25Å; A118-I121 PolarHBondContact O-N 3.37Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 3.17Å
119G98.7Very high98.5Very high0 Ų040 Ų400%025%0.246CC..Hα-helixtrans-74.4-31.5179.700000113P111 S113 V116 N117 A122 T123P111-G119 VanDerWaalsContact CB-CA 3.42Å; S113-G119 VanDerWaalsContact O-CA 3.28Å; S113-G119 WeakPolarHBondContact O-CA 3.11Å; V116-G119 PolarHBondContact O-N 3.25Å; N117-G119 PolarHBondContact O-N 3.39Å; G119-A122 PolarHBondContact O-N 3.1Å; G119-T123 VanDerWaalsContact O-CB 3.31Å; G119-T123 WeakPolarHBondContact O-CB 3.19Å; G119-T123 PolarHBondContact O-N 2.92Å; G119-T123 PolarHBondContact O-OG1 2.8Å
120A98.8Very high98.6Very high13 Ų1345.9 Ų45.911%0.10726%0.26CS..Hα-helixtrans-62-45.3172.300000111.7K69 P114 V116 N117 T123 T124K69-A120 HydrophobicContact CB-CB 4.44Å; K69-A120 HydrophobicContact CD-CB 3.82Å; K69-A120 HydrophobicContact CG-CB 3.66Å; P114-A120 VanDerWaalsContact O-CA 3.31Å; P114-A120 WeakPolarHBondContact O-CA 3.33Å; P114-A120 WeakPolarHBondContact O-CB 3.43Å; P114-A120 PolarHBondContact O-N 3.33Å; V116-A120 WeakPolarHBondContact O-CB 3.37Å; V116-A120 PolarHBondContact O-N 3.18Å; N117-A120 PolarHBondContact O-N 2.95Å; A120-T123 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-N 2.89Å; A120-T124 PolarHBondContact O-OG1 2.9Å; A120-T124 VanDerWaalsContact O-OG1 3.12Å
121I98.8Very high98.6Very high125 Ų12546.1 Ų46.164%0.64127%0.265SS*.Hα-helixtrans-63.3-44.2176-67.7165.2000110.6N117 A118 T123 T124 S125N117-I121 VanDerWaalsContact O-CG1 3.3Å; N117-I121 WeakPolarHBondContact O-CG1 3.29Å; N117-I121 PolarHBondContact O-N 3.07Å; A118-I121 PolarHBondContact O-N 3.37Å; I121-T123 VanDerWaalsContact C-N 3.3Å; I121-T123 PolarHBondContact O-N 2.81Å; I121-T124 WeakPolarHBondContact O-CB 3.21Å; I121-T124 PolarHBondContact O-N 3.33Å; I121-S125 PolarHBondContact O-N 3.21Å; I121-S125 VanDerWaalsContact O-N 3.1Å
122A98.8Very high98.6Very high28 Ų2851.5 Ų51.523%0.23129%0.292CS..Hα-helixtrans-64.7-32.9175.600000112.7I89 P111 A118 G119 S125 L126I89-A122 HydrophobicContact CD1-CB 3.53Å; P111-A122 HydrophobicContact CG-CB 4.35Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 3.17Å; G119-A122 PolarHBondContact O-N 3.1Å; A122-S125 PolarHBondContact O-N 3.5Å; A122-S125 PolarHBondContact O-OG 2.99Å; A122-L126 PolarHBondContact O-N 3.5Å
123T98.9Very high98.6Very high2 Ų256.3 Ų56.31%0.01231%0.314CS..Hα-helixtrans-70.8-41.2175.6-550000110.4T72 A76 P114 G119 A120 I121 S125 L126T72-T123 HydrophobicContact CG2-CG2 4.15Å; A76-T123 HydrophobicContact CB-CG2 3.63Å; P114-T123 WeakPolarHBondContact CB-OG1 3.31Å; G119-T123 VanDerWaalsContact O-CB 3.31Å; G119-T123 WeakPolarHBondContact O-CB 3.19Å; G119-T123 PolarHBondContact O-N 2.92Å; G119-T123 PolarHBondContact O-OG1 2.8Å; A120-T123 PolarHBondContact O-N 2.86Å; I121-T123 VanDerWaalsContact C-N 3.3Å; I121-T123 PolarHBondContact O-N 2.81Å; T123-S125 VanDerWaalsContact C-N 3.25Å; T123-S125 PolarHBondContact O-N 3.35Å; T123-L126 WeakPolarHBondContact O-CB 3.28Å; T123-L126 PolarHBondContact O-N 3.01Å
124T98.9Very high98.6Very high51 Ų5158.8 Ų58.831%0.31332%0.323SS..Hα-helixtrans-57.9-37.5173-63.90000111.8A120 I121 L126 I127 R135 I139A120-T124 PolarHBondContact O-N 2.89Å; A120-T124 PolarHBondContact O-OG1 2.9Å; A120-T124 VanDerWaalsContact O-OG1 3.12Å; I121-T124 WeakPolarHBondContact O-CB 3.21Å; I121-T124 PolarHBondContact O-N 3.33Å; T124-L126 VanDerWaalsContact C-N 3.31Å; T124-I127 WeakPolarHBondContact O-CG1 3.49Å; T124-R135 WeakPolarHBondContact O-CD 3.24Å; T124-R135 PolarHBondContact O-NH1 3.15Å; T124-I139 HydrophobicContact CG2-CD1 3.9Å
125S98.7Very high98.7Very high84 Ų8460.8 Ų60.859%0.58733%0.329SS*.Hα-helixtrans-74.5-19.8176.673.40000113.7I121 A122 T123 I127 R135I121-S125 PolarHBondContact O-N 3.21Å; I121-S125 VanDerWaalsContact O-N 3.1Å; A122-S125 PolarHBondContact O-N 3.5Å; A122-S125 PolarHBondContact O-OG 2.99Å; T123-S125 VanDerWaalsContact C-N 3.25Å; T123-S125 PolarHBondContact O-N 3.35Å; S125-I127 VanDerWaalsContact C-N 3.33Å; S125-R135 VanDerWaalsContact C-NH1 3.29Å; S125-R135 PolarHBondContact O-NH1 2.76Å
126L98.4Very high98.7Very high35 Ų3563.1 Ų63.118%0.18333%0.332CS..Hα-helixtrans-78.2-16.2178.7-162.460.6000113.5V80 V85 K88 I89 A122 T123 T124 N128V80-L126 HydrophobicContact CG1-CG 4.32Å; V80-L126 HydrophobicContact CG2-CD2 3.71Å; V80-L126 HydrophobicContact CG2-CG 3.92Å; V85-L126 HydrophobicContact CG2-CD2 4.26Å; K88-L126 HydrophobicContact CB-CD2 4.39Å; K88-L126 HydrophobicContact CG-CD1 4.36Å; I89-L126 HydrophobicContact CD1-CD2 4.38Å; I89-L126 HydrophobicContact CG1-CD2 4.15Å; A122-L126 PolarHBondContact O-N 3.5Å; T123-L126 WeakPolarHBondContact O-CB 3.28Å; T123-L126 PolarHBondContact O-N 3.01Å; T124-L126 VanDerWaalsContact C-N 3.31Å; L126-N128 PolarHBondContact O-N 2.86Å
127I98.8Very high98.7Very high3 Ų367 Ų672%0.01535%0.349CS..SBendtrans-59.7135179-57.1-49.6000111T72 L75 A76 T124 S125 A129 R135 I139T72-I127 HydrophobicContact CG2-CD1 4.1Å; T72-I127 HydrophobicContact CG2-CG1 4.13Å; L75-I127 HydrophobicContact CB-CD1 3.95Å; L75-I127 HydrophobicContact CD2-CD1 3.94Å; L75-I127 HydrophobicContact CD2-CG1 4.26Å; L75-I127 HydrophobicContact CD2-CG2 3.7Å; L75-I127 HydrophobicContact CG-CD1 3.89Å; L75-I127 HydrophobicContact CG-CG2 4.33Å; A76-I127 HydrophobicContact CB-CD1 3.77Å; T124-I127 WeakPolarHBondContact O-CG1 3.49Å; S125-I127 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.45Å; I127-A129 VanDerWaalsContact O-N 3.14Å; I127-R135 HydrophobicContact CB-CG 4.3Å; I127-R135 HydrophobicContact CG2-CG 4.4Å; I127-R135 PolarHBondContact O-NH1 3.15Å; I127-R135 PolarHBondContact O-NH2 3.46Å; I127-I139 HydrophobicContact CG1-CD1 4.35Å; I127-I139 HydrophobicContact CG1-CG1 4.4Å
128N98.7Very high98.7Very high86 Ų8667.8 Ų67.846%0.4635%0.348SS..  trans-69.1109.3176.5-71.4-27.3000109.8D79 L126 R138D79-N128 HydrophobicContact CB-CB 4.45Å; D79-N128 WeakPolarHBondContact CB-ND2 3.34Å; D79-N128 PolarHBondContact O-ND2 3.49Å; D79-N128 PolarHBondContact OD2-N 3.17Å; L126-N128 PolarHBondContact O-N 2.86Å; N128-R138 WeakPolarHBondContact O-CD 3.14Å; N128-R138 PolarHBondContact O-NH1 3.47Å
129A98.5Very high98.7Very high27 Ų2766.8 Ų66.822%0.22334%0.338CS..  trans-157.6139.5177.900000111.5I127 Q134 R135I127-A129 PolarHBondContact O-N 3.45Å; I127-A129 VanDerWaalsContact O-N 3.14Å; A129-Q134 HydrophobicContact CB-CB 4.3Å; A129-Q134 HydrophobicContact CB-CG 4.43Å; A129-R135 HydrophobicContact CB-CB 3.65Å; A129-R135 HydrophobicContact CB-CG 4.33Å
130E98.4Very high98.7Very high176 Ų17669 Ų6982%0.82235%0.349SS*.SBendtrans-75.1-26.6178-61.4-178.5174.300112.7
131N98.7Very high98.7Very high82 Ų8273 Ų7344%0.43937%0.366SS..SBendtrans-154174.6179.860.564000111.7E133 Q134 R135N131-E133 PolarHBondContact OD1-N 3.01Å; N131-Q134 PolarHBondContact OD1-N 2.98Å; N131-R135 PolarHBondContact O-N 2.68Å; N131-R135 VanDerWaalsContact O-N 3.14Å
132I98.5Very high98.7Very high128 Ų12867.9 Ų67.966%0.65634%0.339SS*.Hα-helixtrans-63.7-40.3-176.4-167.9169.6000112.8R135 W136I132-R135 WeakPolarHBondContact O-CB 3.45Å; I132-R135 PolarHBondContact O-N 2.92Å; I132-W136 PolarHBondContact O-N 3.49Å
133E98.7Very high98.7Very high119 Ų11968.4 Ų68.456%0.55634%0.337SS*.Hα-helixtrans-67.6-43.6-179-66-54.5140.800111.2N131 R135 W136 Q137N131-E133 PolarHBondContact OD1-N 3.01Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 PolarHBondContact O-N 3.04Å; E133-W136 WeakPolarHBondContact O-CB 3.34Å; E133-W136 PolarHBondContact O-N 2.86Å; E133-Q137 WeakPolarHBondContact O-CB 3.22Å; E133-Q137 VanDerWaalsContact O-CG 3.31Å; E133-Q137 WeakPolarHBondContact O-CG 3.33Å; E133-Q137 PolarHBondContact O-N 3.14Å
134Q98.8Very high98.7Very high70 Ų7071.8 Ų71.833%0.32735%0.353SS..Hα-helixtrans-61.4-40.7175.6-169.7-173.236.600111.1A129 N131 W136 Q137 R138A129-Q134 HydrophobicContact CB-CB 4.3Å; A129-Q134 HydrophobicContact CB-CG 4.43Å; N131-Q134 PolarHBondContact OD1-N 2.98Å; Q134-W136 PolarHBondContact O-N 3.49Å; Q134-Q137 PolarHBondContact O-N 3.24Å; Q134-R138 HydrophobicContact CG-CG 4.41Å; Q134-R138 VanDerWaalsContact O-CG 3.28Å; Q134-R138 WeakPolarHBondContact O-CG 3.29Å; Q134-R138 PolarHBondContact O-N 3.37Å
135R98.8Very high98.7Very high54 Ų5475.5 Ų75.520%0.20437%0.367CS..Hα-helixtrans-59.4-47.4176.2-171.3177.3-62.8-77.4-13.5111.3T124 S125 I127 A129 N131 I132 E133 R138 I139T124-R135 WeakPolarHBondContact O-CD 3.24Å; T124-R135 PolarHBondContact O-NH1 3.15Å; S125-R135 VanDerWaalsContact C-NH1 3.29Å; S125-R135 PolarHBondContact O-NH1 2.76Å; I127-R135 HydrophobicContact CB-CG 4.3Å; I127-R135 HydrophobicContact CG2-CG 4.4Å; I127-R135 PolarHBondContact O-NH1 3.15Å; I127-R135 PolarHBondContact O-NH2 3.46Å; A129-R135 HydrophobicContact CB-CB 3.65Å; A129-R135 HydrophobicContact CB-CG 4.33Å; N131-R135 PolarHBondContact O-N 2.68Å; N131-R135 VanDerWaalsContact O-N 3.14Å; I132-R135 WeakPolarHBondContact O-CB 3.45Å; I132-R135 PolarHBondContact O-N 2.92Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 PolarHBondContact O-N 3.04Å; R135-R138 PolarHBondContact O-N 2.83Å; R135-I139 HydrophobicContact CG-CD1 4.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.33Å; R135-I139 PolarHBondContact O-N 3.05Å
136W98.9Very high98.7Very high135 Ų13576.5 Ų76.551%0.51137%0.365SS..Hα-helixtrans-58.8-51.1175.4169-112000111.8I132 E133 Q134 R138 I139 L140I132-W136 PolarHBondContact O-N 3.49Å; E133-W136 WeakPolarHBondContact O-CB 3.34Å; E133-W136 PolarHBondContact O-N 2.86Å; Q134-W136 PolarHBondContact O-N 3.49Å; W136-R138 VanDerWaalsContact C-N 3.32Å; W136-R138 PolarHBondContact O-N 3.06Å; W136-I139 PolarHBondContact O-N 2.98Å; W136-L140 PolarHBondContact O-N 3.39Å
137Q98.8Very high98.7Very high105 Ų10579.3 Ų79.349%0.49139%0.393SS..Hα-helixtrans-60.6-39.2-178.3-70.5-60.8-30.800112.6E133 Q134 L140 H141E133-Q137 WeakPolarHBondContact O-CB 3.22Å; E133-Q137 VanDerWaalsContact O-CG 3.31Å; E133-Q137 WeakPolarHBondContact O-CG 3.33Å; E133-Q137 PolarHBondContact O-N 3.14Å; Q134-Q137 PolarHBondContact O-N 3.24Å; Q137-L140 PolarHBondContact O-N 3.2Å; Q137-H141 VanDerWaalsContact O-CB 3.26Å; Q137-H141 WeakPolarHBondContact O-CB 3.25Å; Q137-H141 PolarHBondContact O-N 3.17Å
138R98.8Very high98.5Very high67 Ų6781.2 Ų81.225%0.25341%0.413SS..Hα-helixtrans-66.9-40.2177-68.4-173.873.6-126.5-6.6112.4L75 D79 N128 Q134 R135 W136 H141 I142L75-R138 HydrophobicContact CD2-CB 3.96Å; D79-R138 IonicContact OD1-CZ 3.42Å; D79-R138 IonicContact OD1-NH1 2.68Å; D79-R138 PolarHBondContact OD1-NH1 3.35Å; D79-R138 IonicContact OD1-NH2 2.68Å; D79-R138 PolarHBondContact OD1-NH2 3.17Å; D79-R138 IonicContact OD2-CZ 3.51Å; D79-R138 IonicContact OD2-NH1 3.3Å; D79-R138 PolarHBondContact OD2-NH1 3.5Å; D79-R138 IonicContact OD2-NH2 3.43Å; D79-R138 PolarHBondContact OD2-NH2 3.49Å; N128-R138 WeakPolarHBondContact O-CD 3.14Å; N128-R138 PolarHBondContact O-NH1 3.47Å; Q134-R138 HydrophobicContact CG-CG 4.41Å; Q134-R138 VanDerWaalsContact O-CG 3.28Å; Q134-R138 WeakPolarHBondContact O-CG 3.29Å; Q134-R138 PolarHBondContact O-N 3.37Å; R135-R138 PolarHBondContact O-N 2.83Å; W136-R138 VanDerWaalsContact C-N 3.32Å; W136-R138 PolarHBondContact O-N 3.06Å; R138-H141 PolarHBondContact O-N 3.11Å; R138-I142 PolarHBondContact O-N 2.8Å; R138-I142 VanDerWaalsContact O-N 3.08Å
139I98.9Very high98.1Very high13 Ų1384.5 Ų84.57%0.06743%0.426CS..Hα-helixtrans-65.9-44.4176.1-68.3168.8000110.6T72 L75 T124 I127 R135 W136 H141 I142 Q143T72-I139 HydrophobicContact CG2-CD1 4.22Å; T72-I139 HydrophobicContact CG2-CG1 4.42Å; L75-I139 HydrophobicContact CD2-CG1 4.08Å; T124-I139 HydrophobicContact CG2-CD1 3.9Å; I127-I139 HydrophobicContact CG1-CD1 4.35Å; I127-I139 HydrophobicContact CG1-CG1 4.4Å; R135-I139 HydrophobicContact CG-CD1 4.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.33Å; R135-I139 PolarHBondContact O-N 3.05Å; W136-I139 PolarHBondContact O-N 2.98Å; I139-H141 VanDerWaalsContact C-N 3.34Å; I139-H141 PolarHBondContact O-N 3.12Å; I139-I142 VanDerWaalsContact O-CG2 3.23Å; I139-I142 WeakPolarHBondContact O-CG2 3.32Å; I139-I142 PolarHBondContact O-N 3.08Å; I139-Q143 WeakPolarHBondContact O-CG 3.49Å; I139-Q143 PolarHBondContact O-N 3.17Å; I139-Q143 VanDerWaalsContact O-N 3.15Å
140L98.7Very high97.4Very high45 Ų4591.9 Ų91.924%0.23646%0.456CS..Hα-helixtrans-61.6-43.7175.4178.360.6000111.4W136 Q137 I142 Q143 Q144W136-L140 PolarHBondContact O-N 3.39Å; Q137-L140 PolarHBondContact O-N 3.2Å; L140-I142 PolarHBondContact O-N 3.33Å; L140-Q143 WeakPolarHBondContact O-CB 3.18Å; L140-Q143 PolarHBondContact O-N 2.99Å; L140-Q144 WeakPolarHBondContact O-CG 3.34Å; L140-Q144 PolarHBondContact O-N 3.12Å
141H98.8Very high97.3Very high98 Ų9887.7 Ų87.745%0.45444%0.437SS..Hα-helixtrans-61.3-44.3180-172.762.2000112.3Q137 R138 I139 Q143 Q144 Q145Q137-H141 VanDerWaalsContact O-CB 3.26Å; Q137-H141 WeakPolarHBondContact O-CB 3.25Å; Q137-H141 PolarHBondContact O-N 3.17Å; R138-H141 PolarHBondContact O-N 3.11Å; I139-H141 VanDerWaalsContact C-N 3.34Å; I139-H141 PolarHBondContact O-N 3.12Å; H141-Q143 VanDerWaalsContact C-N 3.3Å; H141-Q143 PolarHBondContact O-N 3.12Å; H141-Q144 WeakPolarHBondContact O-CB 3.39Å; H141-Q144 PolarHBondContact O-N 3.04Å; H141-Q145 PolarHBondContact CD2-OE1 3.04Å; H141-Q145 VanDerWaalsContact NE2-CD 3.34Å; H141-Q145 PolarHBondContact NE2-NE2 3.1Å; H141-Q145 WeakPolarHBondContact O-CG 3.31Å; H141-Q145 PolarHBondContact O-N 3.28Å
142I98.8Very high97.3Very high17 Ų1787.9 Ų87.99%0.08744%0.437CS..Hα-helixtrans-68.8-30.5177.7-163.8142.3000112.4C71 A74 L75 R138 I139 L140 Q144 Q145 L146C71-I142 HydrophobicContact CB-CG2 4.3Å; A74-I142 HydrophobicContact CB-CD1 4.48Å; L75-I142 HydrophobicContact CB-CD1 3.93Å; L75-I142 HydrophobicContact CB-CG2 4.08Å; L75-I142 HydrophobicContact CD1-CB 4.46Å; L75-I142 HydrophobicContact CD1-CD1 3.85Å; L75-I142 HydrophobicContact CD2-CG2 4.21Å; L75-I142 HydrophobicContact CG-CD1 4.49Å; R138-I142 PolarHBondContact O-N 2.8Å; R138-I142 VanDerWaalsContact O-N 3.08Å; I139-I142 VanDerWaalsContact O-CG2 3.23Å; I139-I142 WeakPolarHBondContact O-CG2 3.32Å; I139-I142 PolarHBondContact O-N 3.08Å; L140-I142 PolarHBondContact O-N 3.33Å; I142-Q144 VanDerWaalsContact C-N 3.33Å; I142-Q145 PolarHBondContact O-N 3.21Å; I142-L146 HydrophobicContact CG1-CD1 3.84Å; I142-L146 HydrophobicContact CG1-CG 4.06Å; I142-L146 WeakPolarHBondContact O-CB 3.4Å; I142-L146 VanDerWaalsContact O-CG 3.25Å; I142-L146 WeakPolarHBondContact O-CG 3.13Å; I142-L146 PolarHBondContact O-N 3.46Å
143Q98.8Very high97.2Very high40 Ų4085.7 Ų85.719%0.18743%0.425CS..Hα-helixtrans-61.6-44.9171-71.5175.414.700110.5L64 C71 I139 L140 H141 Q145 L146 A147L64-Q143 HydrophobicContact CD2-CG 4.39Å; C71-Q143 HydrophobicContact CB-CG 3.71Å; I139-Q143 WeakPolarHBondContact O-CG 3.49Å; I139-Q143 PolarHBondContact O-N 3.17Å; I139-Q143 VanDerWaalsContact O-N 3.15Å; L140-Q143 WeakPolarHBondContact O-CB 3.18Å; L140-Q143 PolarHBondContact O-N 2.99Å; H141-Q143 VanDerWaalsContact C-N 3.3Å; H141-Q143 PolarHBondContact O-N 3.12Å; Q143-Q145 PolarHBondContact O-N 3.21Å; Q143-L146 PolarHBondContact O-N 3.17Å; Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 2.97Å
144Q98.7Very high97.1Very high72 Ų7283.8 Ų83.834%0.33642%0.417SS..Hα-helixtrans-62.1-42.7176.9-68.6165.2-19.500112.2L140 H141 I142 G148L140-Q144 WeakPolarHBondContact O-CG 3.34Å; L140-Q144 PolarHBondContact O-N 3.12Å; H141-Q144 WeakPolarHBondContact O-CB 3.39Å; H141-Q144 PolarHBondContact O-N 3.04Å; I142-Q144 VanDerWaalsContact C-N 3.33Å; Q144-G148 VanDerWaalsContact CA-O 3.29Å; Q144-G148 WeakPolarHBondContact CA-O 3.31Å; Q144-G148 CarbonylContact O-C 2.94Å; Q144-G148 WeakPolarHBondContact O-CA 3.42Å; Q144-G148 PolarHBondContact O-N 2.83Å
145Q98.5Very high97Very high130 Ų13084.6 Ų84.661%0.60742%0.423SS*.Hα-helixtrans-66.2-37.7178.5-70.6-178-59.700113H141 I142 Q143H141-Q145 PolarHBondContact CD2-OE1 3.04Å; H141-Q145 VanDerWaalsContact NE2-CD 3.34Å; H141-Q145 PolarHBondContact NE2-NE2 3.1Å; H141-Q145 WeakPolarHBondContact O-CG 3.31Å; H141-Q145 PolarHBondContact O-N 3.28Å; I142-Q145 PolarHBondContact O-N 3.21Å; Q143-Q145 PolarHBondContact O-N 3.21Å
146L98.5Very high96.9Very high105 Ų10586.7 Ų86.755%0.5544%0.438SS..Hα-helixtrans-83.3-31.8-177.1-69174.5000113.5C71 A74 I142 Q143C71-L146 HydrophobicContact CB-CD1 4.17Å; A74-L146 HydrophobicContact CB-CD1 4.19Å; I142-L146 HydrophobicContact CG1-CD1 3.84Å; I142-L146 HydrophobicContact CG1-CG 4.06Å; I142-L146 WeakPolarHBondContact O-CB 3.4Å; I142-L146 VanDerWaalsContact O-CG 3.25Å; I142-L146 WeakPolarHBondContact O-CG 3.13Å; I142-L146 PolarHBondContact O-N 3.46Å; Q143-L146 PolarHBondContact O-N 3.17Å
147A97.9Very high96.8Very high93 Ų9383.2 Ų83.277%0.76943%0.432SS*.Hα-helixtrans-122.9-12.7-16800000115.1Q143Q143-A147 WeakPolarHBondContact O-CB 3.45Å; Q143-A147 PolarHBondContact O-N 2.97Å
148G95Very high96.6Very high43 Ų4381.5 Ų81.544%0.44343%0.428SS..  trans123.8152.5-179.300000113.1Q144 Q150Q144-G148 VanDerWaalsContact CA-O 3.29Å; Q144-G148 WeakPolarHBondContact CA-O 3.31Å; Q144-G148 CarbonylContact O-C 2.94Å; Q144-G148 WeakPolarHBondContact O-CA 3.42Å; Q144-G148 PolarHBondContact O-N 2.83Å; G148-Q150 VanDerWaalsContact C-N 3.3Å; G148-Q150 PolarHBondContact O-N 3.27Å
149E91.3Very high96.4Very high156 Ų15682.8 Ų82.873%0.72944%0.443SS*.  trans-73.3-12.7-168.866.8-176.4166.100116
150Q83.1Confident96.2Very high181 Ų18189.1 Ų89.185%0.84648%0.477SS*.  trans-90.90-166-60.6-76.9-9.500114.4R61 G148R61-Q150 VanDerWaalsContact NH1-C 3.34Å; R61-Q150 PolarHBondContact NH1-O 3.29Å; G148-Q150 VanDerWaalsContact C-N 3.3Å; G148-Q150 PolarHBondContact O-N 3.27Å

Retrieved 150 of 150 residues in 160.7 ms (Link to these results)

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