A0A5K4F618_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F618, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M36.5Very low49.5Very low233 Ų233135.8 Ų135.8100%1.14873%0.732SS**  092.40-85.4171.8150.300107.5
2I37.9Very low51.8Low157 Ų157136.4 Ų136.481%0.80573%0.732SS**  trans-98.893.9169.1-59.3173.8000103.9N4I2-N4 VanDerWaalsContact C-N 3.27Å; I2-N4 PolarHBondContact O-N 3.41Å
3C41.2Very low53.8Low107 Ų107128.5 Ų128.572%0.72370%0.702SS**  trans-66.597.4166.5-65.60000105.7E5C3-E5 PolarHBondContact O-N 3.43Å
4N46.3Very low55.7Low121 Ų121126.4 Ų126.465%0.64769%0.689SS**  trans-66.279.7156.9-92.5-3.6000106.1I2 N6I2-N4 VanDerWaalsContact C-N 3.27Å; I2-N4 PolarHBondContact O-N 3.41Å; N4-N6 PolarHBondContact O-N 3.36Å
5E47Very low57.3Low179 Ų179124.2 Ų124.284%0.83668%0.676SS**  trans-63.470.2144.2-76.2-179158.500106C3 S7C3-E5 PolarHBondContact O-N 3.43Å; E5-S7 PolarHBondContact O-N 3Å
6N50.2Low58.7Low120 Ų120119.5 Ų119.564%0.64266%0.659SS**  trans-66.976.9155.9-79.6-9.1000104.7N4 L8N4-N6 PolarHBondContact O-N 3.36Å; N6-L8 PolarHBondContact O-N 3.3Å
7S49.3Very low60.2Low88 Ų88118.2 Ų118.262%0.61565%0.651SS**  trans6.775.4131.1172.90000111.4E5 V9E5-S7 PolarHBondContact O-N 3Å; S7-V9 PolarHBondContact O-N 3.29Å; S7-V9 VanDerWaalsContact OG-CG2 3.25Å; S7-V9 WeakPolarHBondContact OG-CG2 3.21Å
8L50Low61.5Low160 Ų160116.2 Ų116.284%0.83864%0.638SS**  trans-70.951.1152-88.3154000107.2N6 M10N6-L8 PolarHBondContact O-N 3.3Å; L8-M10 PolarHBondContact O-N 3.44Å
9V52.5Low62.5Low117 Ų117114 Ų11471%0.70963%0.632SS**  trans-73.178.4153.1-179.20000103.5S7 D11S7-V9 PolarHBondContact O-N 3.29Å; S7-V9 VanDerWaalsContact OG-CG2 3.25Å; S7-V9 WeakPolarHBondContact OG-CG2 3.21Å; V9-D11 PolarHBondContact O-N 3.45Å
10M60.4Low63.7Low104 Ų104116.5 Ų116.551%0.51263%0.632SS.*  trans-58.3120168.3-160.8-175.7-32.400105.5L8 I12 L15L8-M10 PolarHBondContact O-N 3.44Å; M10-I12 PolarHBondContact O-N 3.43Å; M10-L15 HydrophobicContact SD-CB 4.46Å; M10-L15 HydrophobicContact SD-CD1 4Å
11D73.4Confident64.8Low108 Ų108115.3 Ų115.358%0.57862%0.622SS**  trans-53.9117.5-179.9-173.2-14.5000108.4V9 G13 L14 L15V9-D11 PolarHBondContact O-N 3.45Å; D11-G13 PolarHBondContact O-N 3.25Å; D11-G13 VanDerWaalsContact O-N 3.16Å; D11-G13 PolarHBondContact OD1-N 3.07Å; D11-L14 HydrophobicContact CB-CB 4.01Å; D11-L14 WeakPolarHBondContact O-CB 3.34Å; D11-L14 PolarHBondContact O-N 3.22Å; D11-L15 PolarHBondContact O-N 2.98Å
12I76.9Confident67Low143 Ų143109 Ų10973%0.73359%0.592SS**Hα-helixtrans-57.2-32-179.1-64.2169.9000109.4M10 L15 A16M10-I12 PolarHBondContact O-N 3.43Å; I12-L15 PolarHBondContact O-N 3.36Å; I12-A16 VanDerWaalsContact O-CB 3.31Å; I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 3.34Å
13G78.1Confident69.1Low33 Ų33108.2 Ų108.234%0.3458%0.583SS.*Hα-helixtrans-61.8-49.3173.300000112.1D11 L15 A16 D17D11-G13 PolarHBondContact O-N 3.25Å; D11-G13 VanDerWaalsContact O-N 3.16Å; D11-G13 PolarHBondContact OD1-N 3.07Å; G13-L15 VanDerWaalsContact C-N 3.33Å; G13-L15 PolarHBondContact O-N 3.29Å; G13-A16 PolarHBondContact O-N 2.98Å; G13-D17 PolarHBondContact O-N 3.48Å
14L80.8Confident71.2Confident99 Ų99107.6 Ų107.652%0.51857%0.573SS.*Hα-helixtrans-62.1-40177.9-171.871.5000111.9D11 D17 L18D11-L14 HydrophobicContact CB-CB 4.01Å; D11-L14 WeakPolarHBondContact O-CB 3.34Å; D11-L14 PolarHBondContact O-N 3.22Å; L14-D17 PolarHBondContact O-N 3.05Å; L14-L18 HydrophobicContact CG-CD1 4.17Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 PolarHBondContact O-N 2.91Å
15L79.6Confident73.1Confident94 Ų94109.1 Ų109.149%0.49257%0.569SS.*Hα-helixtrans-66.9-39.1176.4-174.863.8000111.8M10 D11 I12 G13 S19M10-L15 HydrophobicContact SD-CB 4.46Å; M10-L15 HydrophobicContact SD-CD1 4Å; D11-L15 PolarHBondContact O-N 2.98Å; I12-L15 PolarHBondContact O-N 3.36Å; G13-L15 VanDerWaalsContact C-N 3.33Å; G13-L15 PolarHBondContact O-N 3.29Å; L15-S19 VanDerWaalsContact O-CB 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.01Å
16A78.4Confident74.8Confident49 Ų49105.6 Ų105.641%0.40556%0.555SS.*Hα-helixtrans-66-41175.900000111.9I12 G13 S19 R20I12-A16 VanDerWaalsContact O-CB 3.31Å; I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 3.34Å; G13-A16 PolarHBondContact O-N 2.98Å; A16-S19 PolarHBondContact O-N 3.5Å; A16-R20 WeakPolarHBondContact O-CB 3.45Å; A16-R20 PolarHBondContact O-N 3.18Å
17D84.4Confident76.5Confident97 Ų97103 Ų10352%0.51955%0.545SS..Hα-helixtrans-67.2-45.4176.9-72.8-21.2000111.5G13 L14 S19 R20 E21G13-D17 PolarHBondContact O-N 3.48Å; L14-D17 PolarHBondContact O-N 3.05Å; D17-S19 VanDerWaalsContact C-N 3.32Å; D17-S19 PolarHBondContact O-N 3.2Å; D17-R20 PolarHBondContact O-N 2.77Å; D17-E21 WeakPolarHBondContact O-CB 3.45Å; D17-E21 PolarHBondContact O-N 3.41Å
18L83.6Confident78.2Confident82 Ų82101.5 Ų101.543%0.42954%0.539SS..Hα-helixtrans-58.8-43.5172.6-87.9160.1000111.9L14 E21 L22L14-L18 HydrophobicContact CG-CD1 4.17Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 PolarHBondContact O-N 2.91Å; L18-E21 PolarHBondContact O-N 3.23Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.9Å
19S82Confident80Confident75 Ų7598.3 Ų98.352%0.52452%0.523SS..Hα-helixtrans-63.1-43.1177.6-176.70000111.7L15 A16 D17 K23L15-S19 VanDerWaalsContact O-CB 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.01Å; A16-S19 PolarHBondContact O-N 3.5Å; D17-S19 VanDerWaalsContact C-N 3.32Å; D17-S19 PolarHBondContact O-N 3.2Å; S19-K23 WeakPolarHBondContact O-CB 3.36Å; S19-K23 PolarHBondContact O-N 3.32Å
20R85Confident81.5Confident164 Ų16496.3 Ų96.362%0.61951%0.511SS*.Hα-helixtrans-65-47.5177-172.2179.8-62.4-178.83111.4A16 D17 L22 K23 D24A16-R20 WeakPolarHBondContact O-CB 3.45Å; A16-R20 PolarHBondContact O-N 3.18Å; D17-R20 PolarHBondContact O-N 2.77Å; R20-L22 VanDerWaalsContact C-N 3.35Å; R20-L22 PolarHBondContact O-N 3.14Å; R20-K23 WeakPolarHBondContact O-CB 3.44Å; R20-K23 PolarHBondContact O-N 2.98Å; R20-D24 WeakPolarHBondContact O-CB 3.39Å; R20-D24 VanDerWaalsContact O-CG 3.3Å; R20-D24 PolarHBondContact O-N 3.33Å
21E87.1Confident82.5Confident92 Ų9297.8 Ų97.843%0.4351%0.514SS..Hα-helixtrans-62.2-42.3178.5-170.5-176170.700111.7D17 L18 D24 R25D17-E21 WeakPolarHBondContact O-CB 3.45Å; D17-E21 PolarHBondContact O-N 3.41Å; L18-E21 PolarHBondContact O-N 3.23Å; E21-D24 PolarHBondContact O-N 3.41Å; E21-R25 WeakPolarHBondContact O-CB 3.33Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.06Å; E21-R25 IonicContact OE1-NE 3.11Å; E21-R25 PolarHBondContact OE1-NE 2.96Å; E21-R25 VanDerWaalsContact OE1-NE 3.11Å; E21-R25 IonicContact OE1-NH2 2.61Å; E21-R25 PolarHBondContact OE1-NH2 3.44Å
22L82.4Confident83.1Confident100 Ų10098.3 Ų98.352%0.52451%0.512SS..Hα-helixtrans-62.3-44174.8-76.9170.1000111.6L18 R20 R25 I26L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.9Å; R20-L22 VanDerWaalsContact C-N 3.35Å; R20-L22 PolarHBondContact O-N 3.14Å; L22-R25 PolarHBondContact O-N 2.89Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 WeakPolarHBondContact O-CD1 3.46Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 3.42Å
23K82.9Confident83.6Confident140 Ų14098.3 Ų98.361%0.60951%0.506SS*.Hα-helixtrans-60.6-47.2176.1-177.3-177.5175.1-175.60111S19 R20 R25 I26 C27S19-K23 WeakPolarHBondContact O-CB 3.36Å; S19-K23 PolarHBondContact O-N 3.32Å; R20-K23 WeakPolarHBondContact O-CB 3.44Å; R20-K23 PolarHBondContact O-N 2.98Å; K23-R25 VanDerWaalsContact C-N 3.35Å; K23-R25 PolarHBondContact O-N 3.01Å; K23-I26 PolarHBondContact O-N 3.24Å; K23-C27 VanDerWaalsContact O-CB 3.29Å; K23-C27 WeakPolarHBondContact O-CB 3.41Å; K23-C27 PolarHBondContact O-N 2.95Å; K23-C27 PolarHBondContact O-SG 3.44Å
24D86.1Confident83.9Confident95 Ų95101.8 Ų101.851%0.50852%0.517SS..Hα-helixtrans-64-40.7-179.6-69.9-17.3000111.4R20 E21 C27 A28R20-D24 WeakPolarHBondContact O-CB 3.39Å; R20-D24 VanDerWaalsContact O-CG 3.3Å; R20-D24 PolarHBondContact O-N 3.33Å; E21-D24 PolarHBondContact O-N 3.41Å; D24-C27 PolarHBondContact O-N 3.25Å; D24-A28 VanDerWaalsContact O-CB 3.28Å; D24-A28 WeakPolarHBondContact O-CB 3.32Å; D24-A28 PolarHBondContact O-N 3.02Å
25R85.7Confident84.1Confident152 Ų152101.7 Ų101.757%0.57451%0.513SS*.Hα-helixtrans-64.3-46174.5-74.1177.1179.8-153.9-0.3112.3E21 L22 K23 A28 D29E21-R25 WeakPolarHBondContact O-CB 3.33Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.06Å; E21-R25 IonicContact OE1-NE 3.11Å; E21-R25 PolarHBondContact OE1-NE 2.96Å; E21-R25 VanDerWaalsContact OE1-NE 3.11Å; E21-R25 IonicContact OE1-NH2 2.61Å; E21-R25 PolarHBondContact OE1-NH2 3.44Å; L22-R25 PolarHBondContact O-N 2.89Å; K23-R25 VanDerWaalsContact C-N 3.35Å; K23-R25 PolarHBondContact O-N 3.01Å; R25-A28 PolarHBondContact O-N 3.48Å; R25-D29 WeakPolarHBondContact O-CB 3.29Å; R25-D29 PolarHBondContact O-N 3.16Å
26I82.9Confident84.5Confident105 Ų105103 Ų10354%0.53852%0.515SS..Hα-helixtrans-62.9-43.9176.6-68.3165.5000110.2L22 K23 D29 T30L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 WeakPolarHBondContact O-CD1 3.46Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 3.42Å; K23-I26 PolarHBondContact O-N 3.24Å; I26-D29 PolarHBondContact O-N 2.95Å; I26-T30 HydrophobicContact CG2-CG2 4.19Å; I26-T30 VanDerWaalsContact O-CB 3.3Å; I26-T30 WeakPolarHBondContact O-CB 3.49Å; I26-T30 WeakPolarHBondContact O-CG2 3.28Å; I26-T30 PolarHBondContact O-N 3.36Å; I26-T30 PolarHBondContact O-OG1 3.27Å
27C85.9Confident84.9Confident65 Ų65109 Ų10944%0.43953%0.527SS..Hα-helixtrans-62.2-44.3176.4-75.40000111.9K23 D24 T30 F31K23-C27 VanDerWaalsContact O-CB 3.29Å; K23-C27 WeakPolarHBondContact O-CB 3.41Å; K23-C27 PolarHBondContact O-N 2.95Å; K23-C27 PolarHBondContact O-SG 3.44Å; D24-C27 PolarHBondContact O-N 3.25Å; C27-T30 WeakPolarHBondContact CA-OG1 3.29Å; C27-T30 PolarHBondContact O-OG1 3.41Å; C27-F31 WeakPolarHBondContact O-CB 3.4Å; C27-F31 PolarHBondContact O-N 3.45Å
28A84.3Confident84.9Confident57 Ų57107.6 Ų107.647%0.47152%0.522SS..Hα-helixtrans-64.1-44.2177.400000112.1D24 R25 F31 K32D24-A28 VanDerWaalsContact O-CB 3.28Å; D24-A28 WeakPolarHBondContact O-CB 3.32Å; D24-A28 PolarHBondContact O-N 3.02Å; R25-A28 PolarHBondContact O-N 3.48Å; A28-F31 PolarHBondContact O-N 2.95Å; A28-K32 VanDerWaalsContact O-CB 3.26Å; A28-K32 WeakPolarHBondContact O-CB 3.34Å; A28-K32 PolarHBondContact O-N 3.12Å
29D87.5Confident85.1Confident94 Ų94108 Ų10850%0.50353%0.525SS..Hα-helixtrans-69-40.3179-84.4-16.2000112.5R25 I26 K32 K33R25-D29 WeakPolarHBondContact O-CB 3.29Å; R25-D29 PolarHBondContact O-N 3.16Å; I26-D29 PolarHBondContact O-N 2.95Å; D29-K32 PolarHBondContact O-N 3.37Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 VanDerWaalsContact O-CG 3.29Å; D29-K33 WeakPolarHBondContact O-CG 3.41Å; D29-K33 PolarHBondContact O-N 2.82Å
30T84.7Confident85.4Confident75 Ų75113.6 Ų113.646%0.4654%0.535SS..Hα-helixtrans-66.7-43175.350.60000111.1I26 C27 K33 L34I26-T30 HydrophobicContact CG2-CG2 4.19Å; I26-T30 VanDerWaalsContact O-CB 3.3Å; I26-T30 WeakPolarHBondContact O-CB 3.49Å; I26-T30 WeakPolarHBondContact O-CG2 3.28Å; I26-T30 PolarHBondContact O-N 3.36Å; I26-T30 PolarHBondContact O-OG1 3.27Å; C27-T30 WeakPolarHBondContact CA-OG1 3.29Å; C27-T30 PolarHBondContact O-OG1 3.41Å; T30-K33 PolarHBondContact O-N 2.9Å; T30-L34 WeakPolarHBondContact O-CB 3.41Å; T30-L34 PolarHBondContact O-N 3.26Å
31F81.4Confident85.4Confident134 Ų134111.9 Ų111.959%0.58853%0.533SS*.Hα-helixtrans-60.5-46.3174-175.1-95.9000111.4C27 A28 K33 L34 Q35C27-F31 WeakPolarHBondContact O-CB 3.4Å; C27-F31 PolarHBondContact O-N 3.45Å; A28-F31 PolarHBondContact O-N 2.95Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 2.95Å; F31-L34 PolarHBondContact O-N 3.45Å; F31-Q35 VanDerWaalsContact O-CB 3.32Å; F31-Q35 WeakPolarHBondContact O-CB 3.32Å; F31-Q35 PolarHBondContact O-N 3.3Å
32K85.7Confident85.4Confident120 Ų120112.4 Ų112.452%0.52254%0.539SS..Hα-helixtrans-62-39.1177.1-172.9176.7-174.9175.30112.4A28 D29 K36A28-K32 VanDerWaalsContact O-CB 3.26Å; A28-K32 WeakPolarHBondContact O-CB 3.34Å; A28-K32 PolarHBondContact O-N 3.12Å; D29-K32 PolarHBondContact O-N 3.37Å; K32-K36 WeakPolarHBondContact O-CB 3.05Å; K32-K36 VanDerWaalsContact O-CG 3.31Å; K32-K36 WeakPolarHBondContact O-CG 3.38Å; K32-K36 PolarHBondContact O-N 3.49Å; K32-K36 VanDerWaalsContact O-N 3.08Å
33K87.5Confident85.7Confident143 Ų143114.3 Ų114.362%0.62254%0.543SS*.Hα-helixtrans-67.7-41.9174.7-76.5173.4-176.2172.40111.6D29 T30 F31 K36 R37D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 VanDerWaalsContact O-CG 3.29Å; D29-K33 WeakPolarHBondContact O-CG 3.41Å; D29-K33 PolarHBondContact O-N 2.82Å; T30-K33 PolarHBondContact O-N 2.9Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 2.95Å; K33-K36 PolarHBondContact O-N 2.87Å; K33-R37 WeakPolarHBondContact O-CG 3.42Å; K33-R37 PolarHBondContact O-N 3.36Å; K33-R37 VanDerWaalsContact O-N 3.11Å
34L84.5Confident85.9Confident106 Ų106111.3 Ų111.356%0.55554%0.54SS*.Hα-helixtrans-64.5-48.7177.8-174.864.6000110.6T30 F31 K36 R37 T38T30-L34 WeakPolarHBondContact O-CB 3.41Å; T30-L34 PolarHBondContact O-N 3.26Å; F31-L34 PolarHBondContact O-N 3.45Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.43Å; L34-R37 WeakPolarHBondContact O-CA 3.27Å; L34-R37 WeakPolarHBondContact O-CB 3.49Å; L34-R37 PolarHBondContact O-N 2.97Å; L34-T38 PolarHBondContact O-N 3.01Å; L34-T38 PolarHBondContact O-OG1 3.21Å; L34-T38 VanDerWaalsContact O-OG1 3.11Å
35Q85Confident85.8Confident97 Ų97111 Ų11145%0.45354%0.541SS..Hα-helixtrans-55-49175.7-173174.914.500111.3F31 R37 T38 D39F31-Q35 VanDerWaalsContact O-CB 3.32Å; F31-Q35 WeakPolarHBondContact O-CB 3.32Å; F31-Q35 PolarHBondContact O-N 3.3Å; Q35-R37 VanDerWaalsContact C-N 3.26Å; Q35-R37 PolarHBondContact O-N 3.41Å; Q35-T38 PolarHBondContact O-N 3.01Å; Q35-D39 WeakPolarHBondContact O-CB 3.48Å; Q35-D39 PolarHBondContact O-N 2.86Å
36K87.5Confident85.8Confident122 Ų122107.8 Ų107.853%0.5354%0.535SS..Hα-helixtrans-59.1-32.9175.4-76.9-177.7180-171.90113.9K32 K33 L34 R40K32-K36 WeakPolarHBondContact O-CB 3.05Å; K32-K36 VanDerWaalsContact O-CG 3.31Å; K32-K36 WeakPolarHBondContact O-CG 3.38Å; K32-K36 PolarHBondContact O-N 3.49Å; K32-K36 VanDerWaalsContact O-N 3.08Å; K33-K36 PolarHBondContact O-N 2.87Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.43Å; K36-R40 VanDerWaalsContact O-CG 3.28Å; K36-R40 WeakPolarHBondContact O-CG 2.88Å; K36-R40 PolarHBondContact O-N 3.11Å
37R87Confident86Confident174 Ų174105.7 Ų105.766%0.65753%0.529SS*.Hα-helixtrans-73.7-48.2176.1-75.6-178.6178.2-179.1-0.9110.6K33 L34 Q35 D39 R40 E41K33-R37 WeakPolarHBondContact O-CG 3.42Å; K33-R37 PolarHBondContact O-N 3.36Å; K33-R37 VanDerWaalsContact O-N 3.11Å; L34-R37 WeakPolarHBondContact O-CA 3.27Å; L34-R37 WeakPolarHBondContact O-CB 3.49Å; L34-R37 PolarHBondContact O-N 2.97Å; Q35-R37 VanDerWaalsContact C-N 3.26Å; Q35-R37 PolarHBondContact O-N 3.41Å; R37-D39 VanDerWaalsContact C-N 3.32Å; R37-D39 PolarHBondContact O-N 3.2Å; R37-R40 WeakPolarHBondContact O-CB 3.44Å; R37-R40 PolarHBondContact O-N 3.12Å; R37-R40 VanDerWaalsContact O-N 3.14Å; R37-E41 PolarHBondContact O-N 3.3Å
38T84.8Confident86Confident67 Ų67106.2 Ų106.241%0.41153%0.525SS..Hα-helixtrans-59.9-41.5177.5-54.50000111.8L34 Q35 R40 E41 L42L34-T38 PolarHBondContact O-N 3.01Å; L34-T38 PolarHBondContact O-OG1 3.21Å; L34-T38 VanDerWaalsContact O-OG1 3.11Å; Q35-T38 PolarHBondContact O-N 3.01Å; T38-R40 VanDerWaalsContact C-N 3.31Å; T38-R40 PolarHBondContact O-N 3.37Å; T38-E41 PolarHBondContact O-N 3.49Å; T38-L42 VanDerWaalsContact O-CB 3.28Å; T38-L42 WeakPolarHBondContact O-CB 3.35Å; T38-L42 PolarHBondContact O-N 2.9Å
39D86.6Confident85.9Confident90 Ų90106.9 Ų106.948%0.48152%0.523SS..Hα-helixtrans-61.9-38.8176.6-67.5-19.9000111.9Q35 R37 F43Q35-D39 WeakPolarHBondContact O-CB 3.48Å; Q35-D39 PolarHBondContact O-N 2.86Å; R37-D39 VanDerWaalsContact C-N 3.32Å; R37-D39 PolarHBondContact O-N 3.2Å; D39-F43 VanDerWaalsContact O-CB 3.32Å; D39-F43 WeakPolarHBondContact O-CB 3.45Å; D39-F43 PolarHBondContact O-N 2.64Å
40R88.3Confident85.8Confident194 Ų194106.4 Ų106.473%0.73252%0.521SS*.Hα-helixtrans-68.8-42.1176.1-74.7174179.1-169.8-0.9112.3K36 R37 T38 F43 S44K36-R40 VanDerWaalsContact O-CG 3.28Å; K36-R40 WeakPolarHBondContact O-CG 2.88Å; K36-R40 PolarHBondContact O-N 3.11Å; R37-R40 WeakPolarHBondContact O-CB 3.44Å; R37-R40 PolarHBondContact O-N 3.12Å; R37-R40 VanDerWaalsContact O-N 3.14Å; T38-R40 VanDerWaalsContact C-N 3.31Å; T38-R40 PolarHBondContact O-N 3.37Å; R40-F43 PolarHBondContact O-N 2.95Å; R40-S44 PolarHBondContact O-N 2.83Å
41E85.6Confident85.7Confident127 Ų127109.7 Ų109.759%0.59353%0.525SS*.Hα-helixtrans-65.1-45177-73.3173.9-168.900110.8R37 T38 F43 S44 V45R37-E41 PolarHBondContact O-N 3.3Å; T38-E41 PolarHBondContact O-N 3.49Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.34Å; E41-S44 WeakPolarHBondContact O-CB 3.39Å; E41-S44 PolarHBondContact O-N 3.03Å; E41-S44 VanDerWaalsContact O-N 3.13Å; E41-V45 WeakPolarHBondContact O-CG2 3.33Å; E41-V45 PolarHBondContact O-N 3.35Å
42L87.1Confident85.6Confident103 Ų103107 Ų10754%0.53952%0.519SS..Hα-helixtrans-61.8-40.4176.2-167.8121.5000111.7T38 V45 N46T38-L42 VanDerWaalsContact O-CB 3.28Å; T38-L42 WeakPolarHBondContact O-CB 3.35Å; T38-L42 PolarHBondContact O-N 2.9Å; L42-V45 PolarHBondContact O-N 3.25Å; L42-N46 WeakPolarHBondContact O-CB 3.45Å; L42-N46 PolarHBondContact O-N 3.28Å
43F89.1Confident85.4Confident141 Ų141105.5 Ų105.562%0.61852%0.516SS*.Hα-helixtrans-60.4-45.2172.4-178.8-96000112D39 R40 E41 V45 N46 C47D39-F43 VanDerWaalsContact O-CB 3.32Å; D39-F43 WeakPolarHBondContact O-CB 3.45Å; D39-F43 PolarHBondContact O-N 2.64Å; R40-F43 PolarHBondContact O-N 2.95Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.34Å; F43-V45 PolarHBondContact O-N 2.86Å; F43-N46 PolarHBondContact O-N 3.1Å; F43-C47 PolarHBondContact O-N 3.23Å; F43-C47 PolarHBondContact O-SG 2.96Å; F43-C47 VanDerWaalsContact O-SG 3.33Å
44S87.8Confident85.1Confident77 Ų77107.1 Ų107.154%0.53852%0.518SS..Hα-helixtrans-62.2-41.9177.3-171.20000112.3R40 E41 C47 E48R40-S44 PolarHBondContact O-N 2.83Å; E41-S44 WeakPolarHBondContact O-CB 3.39Å; E41-S44 PolarHBondContact O-N 3.03Å; E41-S44 VanDerWaalsContact O-N 3.13Å; S44-C47 PolarHBondContact O-N 3.06Å; S44-E48 PolarHBondContact O-N 3.45Å; S44-E48 VanDerWaalsContact O-N 3.09Å
45V83.5Confident84.9Confident88 Ų88106 Ų10653%0.53351%0.513SS..Hα-helixtrans-63.8-44.8176.7172.30000110.4E41 L42 F43 C47 E48 V49E41-V45 WeakPolarHBondContact O-CG2 3.33Å; E41-V45 PolarHBondContact O-N 3.35Å; L42-V45 PolarHBondContact O-N 3.25Å; F43-V45 PolarHBondContact O-N 2.86Å; V45-C47 VanDerWaalsContact C-N 3.35Å; V45-C47 PolarHBondContact O-N 2.95Å; V45-E48 PolarHBondContact O-N 2.9Å; V45-E48 VanDerWaalsContact O-N 3.12Å; V45-V49 HydrophobicContact CG1-CG2 4.34Å; V45-V49 WeakPolarHBondContact O-CG2 3.29Å; V45-V49 PolarHBondContact O-N 3.39Å
46N85.6Confident84.5Confident85 Ų85104.9 Ų104.946%0.45551%0.508SS..Hα-helixtrans-60.4-42.5176.7-76.5-16.1000112.4L42 F43 E48 V49 D50L42-N46 WeakPolarHBondContact O-CB 3.45Å; L42-N46 PolarHBondContact O-N 3.28Å; F43-N46 PolarHBondContact O-N 3.1Å; N46-E48 VanDerWaalsContact C-N 3.28Å; N46-E48 PolarHBondContact O-N 2.78Å; N46-V49 PolarHBondContact O-N 3.38Å; N46-D50 PolarHBondContact O-N 3.46Å
47C87.9Confident83.9Confident60 Ų60102.3 Ų102.341%0.40551%0.505SS..Hα-helixtrans-61.1-37.9174.9-69.60000112.5F43 S44 V45 R51F43-C47 PolarHBondContact O-N 3.23Å; F43-C47 PolarHBondContact O-SG 2.96Å; F43-C47 VanDerWaalsContact O-SG 3.33Å; S44-C47 PolarHBondContact O-N 3.06Å; V45-C47 VanDerWaalsContact C-N 3.35Å; V45-C47 PolarHBondContact O-N 2.95Å; C47-R51 WeakPolarHBondContact O-CB 3.47Å; C47-R51 PolarHBondContact O-N 3.46Å
48E85.1Confident83.4Confident76 Ų76100.1 Ų100.136%0.35550%0.498SS..Hα-helixtrans-71-41.4178.7-171.353.5-139.500111.6S44 V45 N46 D50 R51 V52S44-E48 PolarHBondContact O-N 3.45Å; S44-E48 VanDerWaalsContact O-N 3.09Å; V45-E48 PolarHBondContact O-N 2.9Å; V45-E48 VanDerWaalsContact O-N 3.12Å; N46-E48 VanDerWaalsContact C-N 3.28Å; N46-E48 PolarHBondContact O-N 2.78Å; E48-D50 PolarHBondContact O-N 2.97Å; E48-R51 VanDerWaalsContact CD-NE 3.33Å; E48-R51 WeakPolarHBondContact O-CB 3.18Å; E48-R51 PolarHBondContact O-N 3.21Å; E48-R51 IonicContact OE1-CZ 3.14Å; E48-R51 IonicContact OE1-NE 2.86Å; E48-R51 PolarHBondContact OE1-NE 3.09Å; E48-R51 IonicContact OE1-NH2 2.61Å; E48-R51 PolarHBondContact OE1-NH2 2.93Å; E48-R51 IonicContact OE2-CZ 3.07Å; E48-R51 IonicContact OE2-NE 3.07Å; E48-R51 PolarHBondContact OE2-NE 2.88Å; E48-R51 VanDerWaalsContact OE2-NE 3.07Å; E48-R51 IonicContact OE2-NH1 3.93Å; E48-R51 IonicContact OE2-NH2 3.16Å; E48-R51 PolarHBondContact OE2-NH2 3.48Å; E48-R51 VanDerWaalsContact OE2-NH2 3.16Å; E48-V52 WeakPolarHBondContact O-CG2 3.4Å; E48-V52 PolarHBondContact O-N 3.06Å
49V82.2Confident82.6Confident72 Ų72101.4 Ų101.444%0.43650%0.501SS..Hα-helixtrans-59.4-46.9172.9171.60000110.7V45 N46 R51 V52 L53V45-V49 HydrophobicContact CG1-CG2 4.34Å; V45-V49 WeakPolarHBondContact O-CG2 3.29Å; V45-V49 PolarHBondContact O-N 3.39Å; N46-V49 PolarHBondContact O-N 3.38Å; V49-R51 VanDerWaalsContact C-N 3.28Å; V49-R51 PolarHBondContact O-N 2.99Å; V49-V52 PolarHBondContact O-N 3.37Å; V49-L53 HydrophobicContact CG1-CD1 3.92Å; V49-L53 HydrophobicContact CG1-CG 4.35Å; V49-L53 WeakPolarHBondContact O-CG 3.39Å; V49-L53 PolarHBondContact O-N 3.25Å
50D84.3Confident81.9Confident84 Ų84103.5 Ų103.545%0.44950%0.502SS..Hα-helixtrans-59.8-39.1175.7-82.9-11.9000112.3N46 E48 L53 R54N46-D50 PolarHBondContact O-N 3.46Å; E48-D50 PolarHBondContact O-N 2.97Å; D50-L53 PolarHBondContact O-N 2.9Å; D50-R54 WeakPolarHBondContact O-CB 3.44Å; D50-R54 VanDerWaalsContact O-CG 3.28Å; D50-R54 WeakPolarHBondContact O-CG 3.48Å; D50-R54 PolarHBondContact O-N 2.77Å
51R83.5Confident81.2Confident144 Ų14497.7 Ų97.754%0.54349%0.491SS..Hα-helixtrans-62.9-45.9175.6-174178.779.2156.93.1111.1C47 E48 V49 R54 N55C47-R51 WeakPolarHBondContact O-CB 3.47Å; C47-R51 PolarHBondContact O-N 3.46Å; E48-R51 VanDerWaalsContact CD-NE 3.33Å; E48-R51 WeakPolarHBondContact O-CB 3.18Å; E48-R51 PolarHBondContact O-N 3.21Å; E48-R51 IonicContact OE1-CZ 3.14Å; E48-R51 IonicContact OE1-NE 2.86Å; E48-R51 PolarHBondContact OE1-NE 3.09Å; E48-R51 IonicContact OE1-NH2 2.61Å; E48-R51 PolarHBondContact OE1-NH2 2.93Å; E48-R51 IonicContact OE2-CZ 3.07Å; E48-R51 IonicContact OE2-NE 3.07Å; E48-R51 PolarHBondContact OE2-NE 2.88Å; E48-R51 VanDerWaalsContact OE2-NE 3.07Å; E48-R51 IonicContact OE2-NH1 3.93Å; E48-R51 IonicContact OE2-NH2 3.16Å; E48-R51 PolarHBondContact OE2-NH2 3.48Å; E48-R51 VanDerWaalsContact OE2-NH2 3.16Å; V49-R51 VanDerWaalsContact C-N 3.28Å; V49-R51 PolarHBondContact O-N 2.99Å; R51-R54 PolarHBondContact O-N 3.16Å; R51-N55 VanDerWaalsContact O-CG 3.25Å; R51-N55 PolarHBondContact O-N 3.4Å; R51-N55 PolarHBondContact O-ND2 3.23Å
52V79.9Confident80.4Confident77 Ų7798 Ų9847%0.46749%0.487SS..Hα-helixtrans-63.8-43.8178.2173.20000110.9E48 V49 R54 N55 E56E48-V52 WeakPolarHBondContact O-CG2 3.4Å; E48-V52 PolarHBondContact O-N 3.06Å; V49-V52 PolarHBondContact O-N 3.37Å; V52-R54 PolarHBondContact O-N 2.8Å; V52-N55 CarbonylContact O-C 3.55Å; V52-N55 WeakPolarHBondContact O-CB 3.43Å; V52-N55 PolarHBondContact O-N 3.24Å; V52-N55 VanDerWaalsContact O-N 3.15Å; V52-E56 WeakPolarHBondContact O-CB 3.49Å; V52-E56 PolarHBondContact O-N 3.32Å
53L81Confident79.4Confident89 Ų8998.2 Ų98.247%0.46649%0.488SS..Hα-helixtrans-64.6-38.4178-70.2173.3000112.6V49 D50 N55 E56 S57V49-L53 HydrophobicContact CG1-CD1 3.92Å; V49-L53 HydrophobicContact CG1-CG 4.35Å; V49-L53 WeakPolarHBondContact O-CG 3.39Å; V49-L53 PolarHBondContact O-N 3.25Å; D50-L53 PolarHBondContact O-N 2.9Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-E56 PolarHBondContact O-N 2.96Å; L53-S57 WeakPolarHBondContact O-CB 3.46Å; L53-S57 PolarHBondContact O-N 3.04Å; L53-S57 PolarHBondContact O-OG 3.38Å
54R82.1Confident78.2Confident176 Ų17698.1 Ų98.166%0.66449%0.485SS*.Hα-helixtrans-63.9-39.8171.8-72.3178.8-154.6-148.86.4111.9D50 R51 V52 S57 Y58D50-R54 WeakPolarHBondContact O-CB 3.44Å; D50-R54 VanDerWaalsContact O-CG 3.28Å; D50-R54 WeakPolarHBondContact O-CG 3.48Å; D50-R54 PolarHBondContact O-N 2.77Å; R51-R54 PolarHBondContact O-N 3.16Å; V52-R54 PolarHBondContact O-N 2.8Å; R54-S57 WeakPolarHBondContact CA-OG 3.38Å; R54-S57 PolarHBondContact O-OG 3.49Å; R54-Y58 VanDerWaalsContact O-CB 3.29Å; R54-Y58 WeakPolarHBondContact O-CB 3.37Å; R54-Y58 PolarHBondContact O-N 3.36Å
55N80.2Confident76.8Confident83 Ų8398.4 Ų98.444%0.44449%0.487SS..Hα-helixtrans-67.4-39.1174.6-70.1-17.6000111.7R51 V52 L53 Y58 I59R51-N55 VanDerWaalsContact O-CG 3.25Å; R51-N55 PolarHBondContact O-N 3.4Å; R51-N55 PolarHBondContact O-ND2 3.23Å; V52-N55 CarbonylContact O-C 3.55Å; V52-N55 WeakPolarHBondContact O-CB 3.43Å; V52-N55 PolarHBondContact O-N 3.24Å; V52-N55 VanDerWaalsContact O-N 3.15Å; L53-N55 VanDerWaalsContact C-N 3.34Å; N55-Y58 WeakPolarHBondContact O-CB 3.37Å; N55-Y58 PolarHBondContact O-N 3.16Å; N55-I59 WeakPolarHBondContact O-CB 3.28Å; N55-I59 WeakPolarHBondContact O-CD1 3.28Å; N55-I59 WeakPolarHBondContact O-CG1 3.01Å; N55-I59 PolarHBondContact O-N 3.11Å
56E76.4Confident75.6Confident73 Ų7397.7 Ų97.734%0.34148%0.484SS..Hα-helixtrans-64.8-47.8177.4-170.3-171.9168.600111.2V52 L53 Y58 I59 R60V52-E56 WeakPolarHBondContact O-CB 3.49Å; V52-E56 PolarHBondContact O-N 3.32Å; L53-E56 PolarHBondContact O-N 2.96Å; E56-Y58 VanDerWaalsContact C-N 3.28Å; E56-Y58 PolarHBondContact O-N 3.39Å; E56-I59 PolarHBondContact O-N 3.04Å; E56-I59 VanDerWaalsContact O-N 3.16Å; E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CB 3.44Å; E56-R60 WeakPolarHBondContact O-CG 3.47Å; E56-R60 PolarHBondContact O-N 3.04Å; E56-R60 IonicContact OE1-CZ 3.14Å; E56-R60 IonicContact OE1-NE 2.95Å; E56-R60 PolarHBondContact OE1-NE 2.87Å; E56-R60 IonicContact OE1-NH2 2.64Å; E56-R60 PolarHBondContact OE1-NH2 3.33Å
57S74.4Confident74.3Confident68 Ų6897.4 Ų97.448%0.47648%0.481SS..Hα-helixtrans-60.3-37.7173.952.80000112.3L53 R54 S61L53-S57 WeakPolarHBondContact O-CB 3.46Å; L53-S57 PolarHBondContact O-N 3.04Å; L53-S57 PolarHBondContact O-OG 3.38Å; R54-S57 WeakPolarHBondContact CA-OG 3.38Å; R54-S57 PolarHBondContact O-OG 3.49Å; S57-S61 WeakPolarHBondContact O-CB 3.26Å; S57-S61 PolarHBondContact O-N 2.77Å; S57-S61 PolarHBondContact O-OG 3.42Å; S57-S61 VanDerWaalsContact O-OG 3.09Å
58Y75.5Confident72.9Confident129 Ų12999.2 Ų99.251%0.50649%0.487SS..Hα-helixtrans-63.3-46171.5178.2-97.8000112.1R54 N55 E56 S61 R62R54-Y58 VanDerWaalsContact O-CB 3.29Å; R54-Y58 WeakPolarHBondContact O-CB 3.37Å; R54-Y58 PolarHBondContact O-N 3.36Å; N55-Y58 WeakPolarHBondContact O-CB 3.37Å; N55-Y58 PolarHBondContact O-N 3.16Å; E56-Y58 VanDerWaalsContact C-N 3.28Å; E56-Y58 PolarHBondContact O-N 3.39Å; Y58-S61 PolarHBondContact O-N 3.46Å; Y58-S61 PolarHBondContact O-OG 2.99Å; Y58-R62 WeakPolarHBondContact O-CB 3.46Å; Y58-R62 PolarHBondContact O-N 3.49Å; Y58-R62 PolarHBondContact OH-NH1 2.98Å
59I69.3Low71.6Confident93 Ų9398 Ų9848%0.47749%0.491SS..Hα-helixtrans-63.4-46.9177.7-69.9162.5000110.3N55 E56 R62 L63N55-I59 WeakPolarHBondContact O-CB 3.28Å; N55-I59 WeakPolarHBondContact O-CD1 3.28Å; N55-I59 WeakPolarHBondContact O-CG1 3.01Å; N55-I59 PolarHBondContact O-N 3.11Å; E56-I59 PolarHBondContact O-N 3.04Å; E56-I59 VanDerWaalsContact O-N 3.16Å; I59-R62 CarbonylContact O-C 3.6Å; I59-R62 PolarHBondContact O-N 2.87Å; I59-L63 HydrophobicContact CG2-CD1 3.6Å; I59-L63 HydrophobicContact CG2-CG 4.13Å; I59-L63 WeakPolarHBondContact O-CB 3.24Å; I59-L63 WeakPolarHBondContact O-CG 3.4Å; I59-L63 PolarHBondContact O-N 3.36Å
60R71.7Confident70.5Confident135 Ų13598.8 Ų98.851%0.50950%0.498SS..Hα-helixtrans-57.8-52.3176.9-74.9-177.5-175.3-155.62.8110.8E56 R62 L63 Y64E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CB 3.44Å; E56-R60 WeakPolarHBondContact O-CG 3.47Å; E56-R60 PolarHBondContact O-N 3.04Å; E56-R60 IonicContact OE1-CZ 3.14Å; E56-R60 IonicContact OE1-NE 2.95Å; E56-R60 PolarHBondContact OE1-NE 2.87Å; E56-R60 IonicContact OE1-NH2 2.64Å; E56-R60 PolarHBondContact OE1-NH2 3.33Å; R60-R62 PolarHBondContact O-N 3.15Å; R60-L63 PolarHBondContact O-N 2.92Å; R60-L63 VanDerWaalsContact O-N 3.1Å; R60-Y64 HydrophobicContact CB-CD2 4.01Å; R60-Y64 HydrophobicContact CB-CE2 3.91Å; R60-Y64 HydrophobicContact CG-CE2 4.12Å; R60-Y64 WeakPolarHBondContact O-CD2 3.41Å; R60-Y64 PolarHBondContact O-N 3.02Å
61S72.8Confident69.8Low72 Ų7299.8 Ų99.850%0.50350%0.5SS..Hα-helixtrans-58.7-37179.6610000112.6S57 Y58 S65S57-S61 WeakPolarHBondContact O-CB 3.26Å; S57-S61 PolarHBondContact O-N 2.77Å; S57-S61 PolarHBondContact O-OG 3.42Å; S57-S61 VanDerWaalsContact O-OG 3.09Å; Y58-S61 PolarHBondContact O-N 3.46Å; Y58-S61 PolarHBondContact O-OG 2.99Å; S61-S65 WeakPolarHBondContact O-CB 3.32Å; S61-S65 PolarHBondContact O-N 3.5Å
62R70Confident68.9Low132 Ų13297.4 Ų97.450%0.49850%0.501SS..Hα-helixtrans-76.3-27.3177.1-166.3169-179.1173.2-3.6114.1Y58 I59 R60 P66Y58-R62 WeakPolarHBondContact O-CB 3.46Å; Y58-R62 PolarHBondContact O-N 3.49Å; Y58-R62 PolarHBondContact OH-NH1 2.98Å; I59-R62 CarbonylContact O-C 3.6Å; I59-R62 PolarHBondContact O-N 2.87Å; R60-R62 PolarHBondContact O-N 3.15Å; R62-P66 WeakPolarHBondContact O-CD 3.46Å; R62-P66 VanDerWaalsContact O-CG 3.27Å; R62-P66 WeakPolarHBondContact O-CG 3.02Å
63L65.2Low68.4Low108 Ų10897.9 Ų97.957%0.56550%0.501SS*.Hα-helixtrans-82.8-36.2175.8-73.5175.6000112.5I59 R60 P66 I67I59-L63 HydrophobicContact CG2-CD1 3.6Å; I59-L63 HydrophobicContact CG2-CG 4.13Å; I59-L63 WeakPolarHBondContact O-CB 3.24Å; I59-L63 WeakPolarHBondContact O-CG 3.4Å; I59-L63 PolarHBondContact O-N 3.36Å; R60-L63 PolarHBondContact O-N 2.92Å; R60-L63 VanDerWaalsContact O-N 3.1Å; L63-P66 WeakPolarHBondContact O-CD 3.32Å; L63-I67 WeakPolarHBondContact O-CD1 3.35Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.17Å
64Y63.1Low68Low139 Ų13998.9 Ų98.955%0.54550%0.503SS..Hα-helixtrans-75.7-32.6179.5-71.7-65.4000112.8R60 I67 D68R60-Y64 HydrophobicContact CB-CD2 4.01Å; R60-Y64 HydrophobicContact CB-CE2 3.91Å; R60-Y64 HydrophobicContact CG-CE2 4.12Å; R60-Y64 WeakPolarHBondContact O-CD2 3.41Å; R60-Y64 PolarHBondContact O-N 3.02Å; Y64-I67 HydrophobicContact CD1-CD1 4.14Å; Y64-I67 PolarHBondContact O-N 3.12Å; Y64-I67 VanDerWaalsContact O-N 3.12Å; Y64-D68 PolarHBondContact O-N 3.23Å; Y64-D68 VanDerWaalsContact O-N 3.11Å
65S59.8Low67.7Low83 Ų8397.1 Ų97.158%0.5850%0.5SS*.Hα-helixtrans-58.4-44.3178.1173.50000114.3S61 A69S61-S65 WeakPolarHBondContact O-CB 3.32Å; S61-S65 PolarHBondContact O-N 3.5Å; S65-A69 PolarHBondContact O-N 2.94Å
66P57.6Low67.2Low73 Ų73101 Ų10147%0.47451%0.509SS..Hα-helixtrans-69.1-30.7172.4-20.629.8000114.3R62 L63 D68 A69 C70R62-P66 WeakPolarHBondContact O-CD 3.46Å; R62-P66 VanDerWaalsContact O-CG 3.27Å; R62-P66 WeakPolarHBondContact O-CG 3.02Å; L63-P66 WeakPolarHBondContact O-CD 3.32Å; P66-D68 VanDerWaalsContact C-N 3.32Å; P66-A69 PolarHBondContact O-N 2.96Å; P66-C70 WeakPolarHBondContact O-CB 3.28Å; P66-C70 PolarHBondContact O-N 2.84Å
67I58.8Low67.2Low79 Ų79101.6 Ų101.641%0.40551%0.514SS..Hα-helixtrans-64.9-43.2179-68.3167.9000109.3L63 Y64 C70 Q71L63-I67 WeakPolarHBondContact O-CD1 3.35Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.17Å; Y64-I67 HydrophobicContact CD1-CD1 4.14Å; Y64-I67 PolarHBondContact O-N 3.12Å; Y64-I67 VanDerWaalsContact O-N 3.12Å; I67-C70 PolarHBondContact O-N 2.9Å; I67-Q71 WeakPolarHBondContact O-CG 3.46Å; I67-Q71 PolarHBondContact O-N 2.82Å
68D57.6Low67.3Low99 Ų99102.8 Ų102.853%0.52951%0.513SS..Hα-helixtrans-63.1-42.6175.6-68.7-24.6000111.5Y64 P66 Q71 V72Y64-D68 PolarHBondContact O-N 3.23Å; Y64-D68 VanDerWaalsContact O-N 3.11Å; P66-D68 VanDerWaalsContact C-N 3.32Å; D68-Q71 PolarHBondContact O-N 3.35Å; D68-V72 VanDerWaalsContact O-CG2 3.29Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.01Å
69A58.7Low67.6Low51 Ų51103.8 Ų103.842%0.42152%0.52SS..Hα-helixtrans-61.5-46.5175.900000112.2S65 P66 Q71 V72 D73S65-A69 PolarHBondContact O-N 2.94Å; P66-A69 PolarHBondContact O-N 2.96Å; A69-Q71 VanDerWaalsContact C-N 3.33Å; A69-Q71 PolarHBondContact O-N 3.39Å; A69-V72 PolarHBondContact O-N 2.96Å; A69-D73 PolarHBondContact O-N 2.93Å
70C58.5Low67.8Low87 Ų87103 Ų10359%0.58852%0.516SS*.Hα-helixtrans-62.7-38.8178.5-172.60000111.9P66 I67 D73 H74P66-C70 WeakPolarHBondContact O-CB 3.28Å; P66-C70 PolarHBondContact O-N 2.84Å; I67-C70 PolarHBondContact O-N 2.9Å; C70-D73 PolarHBondContact O-N 3.5Å; C70-H74 VanDerWaalsContact O-CB 3.28Å; C70-H74 WeakPolarHBondContact O-CB 3.26Å; C70-H74 PolarHBondContact O-N 3.35Å
71Q68.9Low67.9Low105 Ų105103.9 Ų103.949%0.49152%0.52SS..Hα-helixtrans-66.4-40174.8-74.4-171.526.900112.6I67 D68 A69 H74 K75I67-Q71 WeakPolarHBondContact O-CG 3.46Å; I67-Q71 PolarHBondContact O-N 2.82Å; D68-Q71 PolarHBondContact O-N 3.35Å; A69-Q71 VanDerWaalsContact C-N 3.33Å; A69-Q71 PolarHBondContact O-N 3.39Å; Q71-H74 PolarHBondContact O-N 3.02Å; Q71-K75 WeakPolarHBondContact O-CG 3.28Å; Q71-K75 PolarHBondContact O-N 2.77Å
72V65.2Low68Low94 Ų94105.1 Ų105.157%0.5752%0.52SS*.Hα-helixtrans-65-44.9176.3172.80000110.7D68 A69 K75 R76D68-V72 VanDerWaalsContact O-CG2 3.29Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.01Å; A69-V72 PolarHBondContact O-N 2.96Å; V72-K75 PolarHBondContact O-N 3.36Å; V72-R76 WeakPolarHBondContact O-CB 3.44Å; V72-R76 PolarHBondContact O-N 3.35Å
73D70.6Confident68.5Low88 Ų88104.2 Ų104.247%0.47153%0.525SS..Hα-helixtrans-65.7-38.9177.4-77.4-21000112.1A69 C70 R76 N77A69-D73 PolarHBondContact O-N 2.93Å; C70-D73 PolarHBondContact O-N 3.5Å; D73-R76 PolarHBondContact O-N 3.43Å; D73-N77 WeakPolarHBondContact O-CB 3.31Å; D73-N77 PolarHBondContact O-N 2.88Å; D73-N77 PolarHBondContact O-ND2 3.17Å
74H71.1Confident69Low110 Ų110104.2 Ų104.251%0.50953%0.525SS..Hα-helixtrans-62.1-45.1174.3-16772000111.6C70 Q71 R76 N77 M78C70-H74 VanDerWaalsContact O-CB 3.28Å; C70-H74 WeakPolarHBondContact O-CB 3.26Å; C70-H74 PolarHBondContact O-N 3.35Å; Q71-H74 PolarHBondContact O-N 3.02Å; H74-R76 VanDerWaalsContact C-N 3.34Å; H74-R76 PolarHBondContact O-N 3.01Å; H74-N77 PolarHBondContact O-N 3.38Å; H74-M78 WeakPolarHBondContact O-CG 3.48Å; H74-M78 PolarHBondContact O-N 3.12Å
75K75.5Confident69.3Low139 Ų139106.3 Ų106.360%0.60453%0.532SS*.Hα-helixtrans-61.3-40.5174.3-76.2177.6-179.3174.60111.9Q71 V72 K79Q71-K75 WeakPolarHBondContact O-CG 3.28Å; Q71-K75 PolarHBondContact O-N 2.77Å; V72-K75 PolarHBondContact O-N 3.36Å; K75-K79 WeakPolarHBondContact O-CG 3.32Å; K75-K79 PolarHBondContact O-N 2.92Å; K75-K79 VanDerWaalsContact O-N 3.12Å
76R70.8Confident70Confident165 Ų165106.4 Ų106.462%0.62353%0.526SS*.Hα-helixtrans-66-45.8177.1-172.2-179.9-178.5176.50.8111.7V72 D73 H74 M78 K79 I80V72-R76 WeakPolarHBondContact O-CB 3.44Å; V72-R76 PolarHBondContact O-N 3.35Å; D73-R76 PolarHBondContact O-N 3.43Å; H74-R76 VanDerWaalsContact C-N 3.34Å; H74-R76 PolarHBondContact O-N 3.01Å; R76-M78 VanDerWaalsContact C-N 3.33Å; R76-M78 PolarHBondContact O-N 3.19Å; R76-K79 WeakPolarHBondContact O-CB 3.29Å; R76-K79 PolarHBondContact O-N 2.61Å; R76-K79 VanDerWaalsContact O-N 3.16Å; R76-I80 HydrophobicContact CG-CD1 4.14Å; R76-I80 WeakPolarHBondContact O-CG1 3.21Å; R76-I80 PolarHBondContact O-N 2.86Å
77N76Confident70.7Confident84 Ų84110.1 Ų110.145%0.44953%0.534SS..Hα-helixtrans-62.4-39.9177.8-79.1-24.7000112D73 H74 I80 R81D73-N77 WeakPolarHBondContact O-CB 3.31Å; D73-N77 PolarHBondContact O-N 2.88Å; D73-N77 PolarHBondContact O-ND2 3.17Å; H74-N77 PolarHBondContact O-N 3.38Å; N77-I80 PolarHBondContact O-N 3.07Å; N77-R81 WeakPolarHBondContact O-CG 3.29Å; N77-R81 PolarHBondContact O-N 3.21Å
78M75.8Confident71.3Confident94 Ų94113.8 Ų113.846%0.46355%0.547SS..Hα-helixtrans-61.7-42.4172.9-75.8-65.1-167.400112.1H74 R76 R81 N82H74-M78 WeakPolarHBondContact O-CG 3.48Å; H74-M78 PolarHBondContact O-N 3.12Å; R76-M78 VanDerWaalsContact C-N 3.33Å; R76-M78 PolarHBondContact O-N 3.19Å; M78-R81 PolarHBondContact O-N 2.99Å; M78-N82 WeakPolarHBondContact O-CB 3.42Å; M78-N82 PolarHBondContact O-N 3.41Å
79K81.6Confident71.7Confident150 Ų150114.7 Ų114.765%0.65255%0.551SS**Hα-helixtrans-61.8-45.1174.3-74-179.5-179.6-176.50112.3K75 R76 N82 I83K75-K79 WeakPolarHBondContact O-CG 3.32Å; K75-K79 PolarHBondContact O-N 2.92Å; K75-K79 VanDerWaalsContact O-N 3.12Å; R76-K79 WeakPolarHBondContact O-CB 3.29Å; R76-K79 PolarHBondContact O-N 2.61Å; R76-K79 VanDerWaalsContact O-N 3.16Å; K79-N82 PolarHBondContact O-N 3.16Å; K79-I83 WeakPolarHBondContact O-CG1 3.5Å; K79-I83 PolarHBondContact O-N 3.06Å
80I75.4Confident71.7Confident76 Ų76117.2 Ų117.239%0.3956%0.557SS.*Hα-helixtrans-62.6-46179.1-67167.9000110.7R76 N77 N82 I83 L84R76-I80 HydrophobicContact CG-CD1 4.14Å; R76-I80 WeakPolarHBondContact O-CG1 3.21Å; R76-I80 PolarHBondContact O-N 2.86Å; N77-I80 PolarHBondContact O-N 3.07Å; I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 3.4Å; I80-I83 PolarHBondContact O-N 3.48Å; I80-L84 HydrophobicContact CG2-CD1 3.96Å; I80-L84 HydrophobicContact CG2-CG 4.39Å; I80-L84 WeakPolarHBondContact O-CG 3.3Å; I80-L84 PolarHBondContact O-N 3.46Å
81R73.5Confident71.6Confident154 Ų154116 Ų11658%0.58155%0.549SS*.Hα-helixtrans-57.7-45.5175.3-75.5-177.1-168.3171.93.4111.1N77 M78 I83 L84 W85N77-R81 WeakPolarHBondContact O-CG 3.29Å; N77-R81 PolarHBondContact O-N 3.21Å; M78-R81 PolarHBondContact O-N 2.99Å; R81-I83 VanDerWaalsContact C-N 3.34Å; R81-I83 PolarHBondContact O-N 2.98Å; R81-L84 PolarHBondContact O-N 3.33Å; R81-W85 WeakPolarHBondContact O-CB 3.48Å; R81-W85 VanDerWaalsContact O-CD1 3.23Å; R81-W85 PolarHBondContact O-N 2.97Å
82N74.2Confident71Confident97 Ų97114 Ų11452%0.51955%0.548SS..Hα-helixtrans-60-43.5178.8-162.6-4.6000111.7M78 K79 I80 W85 N86M78-N82 WeakPolarHBondContact O-CB 3.42Å; M78-N82 PolarHBondContact O-N 3.41Å; K79-N82 PolarHBondContact O-N 3.16Å; I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 3.4Å; N82-W85 PolarHBondContact O-N 3.49Å; N82-N86 VanDerWaalsContact O-CG 3.3Å; N82-N86 PolarHBondContact O-N 3.41Å; N82-N86 PolarHBondContact O-ND2 3.31Å; N82-N86 VanDerWaalsContact O-ND2 3.14Å; N82-N86 PolarHBondContact OD1-ND2 2.93Å
83I80.5Confident70.5Confident114 Ų114115.1 Ų115.159%0.58555%0.55SS*.Hα-helixtrans-62-46.4175.5-65.8165000111.7K79 I80 R81 W85 N86 K87K79-I83 WeakPolarHBondContact O-CG1 3.5Å; K79-I83 PolarHBondContact O-N 3.06Å; I80-I83 PolarHBondContact O-N 3.48Å; R81-I83 VanDerWaalsContact C-N 3.34Å; R81-I83 PolarHBondContact O-N 2.98Å; I83-W85 VanDerWaalsContact C-N 3.34Å; I83-W85 PolarHBondContact O-N 2.76Å; I83-N86 PolarHBondContact O-N 3.43Å; I83-K87 WeakPolarHBondContact O-CB 3.26Å; I83-K87 PolarHBondContact O-N 3.38Å
84L76.7Confident69.7Low108 Ų108116 Ų11657%0.56555%0.554SS**Hα-helixtrans-63.1-40.9179.2-72.8171.8000112I80 R81 K87 K88I80-L84 HydrophobicContact CG2-CD1 3.96Å; I80-L84 HydrophobicContact CG2-CG 4.39Å; I80-L84 WeakPolarHBondContact O-CG 3.3Å; I80-L84 PolarHBondContact O-N 3.46Å; R81-L84 PolarHBondContact O-N 3.33Å; L84-K87 PolarHBondContact O-N 3.13Å; L84-K88 WeakPolarHBondContact O-CB 3.39Å; L84-K88 PolarHBondContact O-N 2.9Å
85W69.4Low68.8Low183 Ų183118.3 Ų118.369%0.69357%0.565SS**Hα-helixtrans-61-47.9174.4-91.788000111.7R81 N82 I83 K87 K88 L89R81-W85 WeakPolarHBondContact O-CB 3.48Å; R81-W85 VanDerWaalsContact O-CD1 3.23Å; R81-W85 PolarHBondContact O-N 2.97Å; N82-W85 PolarHBondContact O-N 3.49Å; I83-W85 VanDerWaalsContact C-N 3.34Å; I83-W85 PolarHBondContact O-N 2.76Å; W85-K87 VanDerWaalsContact C-N 3.35Å; W85-K87 PolarHBondContact O-N 3.42Å; W85-K88 PolarHBondContact O-N 3.09Å; W85-L89 PolarHBondContact O-N 3.11Å
86N73.6Confident67.7Low85 Ų85120.6 Ų120.646%0.45558%0.575SS.*Hα-helixtrans-62.7-40.2177.1-70-31000112.2N82 I83 K88 L89 L90N82-N86 VanDerWaalsContact O-CG 3.3Å; N82-N86 PolarHBondContact O-N 3.41Å; N82-N86 PolarHBondContact O-ND2 3.31Å; N82-N86 VanDerWaalsContact O-ND2 3.14Å; N82-N86 PolarHBondContact OD1-ND2 2.93Å; I83-N86 PolarHBondContact O-N 3.43Å; N86-K88 PolarHBondContact O-N 3.47Å; N86-L89 PolarHBondContact O-N 3.2Å; N86-L90 WeakPolarHBondContact O-CG 3.43Å; N86-L90 PolarHBondContact O-N 2.93Å
87K72.9Confident66.5Low151 Ų151118 Ų11866%0.65758%0.578SS**Hα-helixtrans-62.8-42.3175.3-171.5177.5179.5179.60111.8I83 L84 W85 L90 S91I83-K87 WeakPolarHBondContact O-CB 3.26Å; I83-K87 PolarHBondContact O-N 3.38Å; L84-K87 PolarHBondContact O-N 3.13Å; W85-K87 VanDerWaalsContact C-N 3.35Å; W85-K87 PolarHBondContact O-N 3.42Å; K87-L90 PolarHBondContact O-N 3.26Å; K87-S91 WeakPolarHBondContact O-CB 3.41Å; K87-S91 PolarHBondContact O-N 3.39Å; K87-S91 PolarHBondContact O-OG 3.27Å
88K71.6Confident64.8Low155 Ų155121.5 Ų121.567%0.67459%0.591SS**Hα-helixtrans-64.1-41.6177.5-165.8174.4-178.5-179.90111.3L84 W85 N86 S91 S92L84-K88 WeakPolarHBondContact O-CB 3.39Å; L84-K88 PolarHBondContact O-N 2.9Å; W85-K88 PolarHBondContact O-N 3.09Å; N86-K88 PolarHBondContact O-N 3.47Å; K88-S91 VanDerWaalsContact CA-OG 3.31Å; K88-S91 WeakPolarHBondContact CA-OG 3.36Å; K88-S91 PolarHBondContact O-N 3.33Å; K88-S91 PolarHBondContact O-OG 3.04Å; K88-S92 PolarHBondContact O-N 3.2Å
89L64.3Low63.1Low118 Ų118126.6 Ų126.662%0.61861%0.611SS**Hα-helixtrans-61.8-42.3176.1-145.2105.6000112W85 N86 S92 L93W85-L89 PolarHBondContact O-N 3.11Å; N86-L89 PolarHBondContact O-N 3.2Å; L89-S92 PolarHBondContact O-OG 3.38Å; L89-L93 PolarHBondContact O-N 3.41Å
90L60.1Low61.3Low105 Ų105124.9 Ų124.955%0.5562%0.615SS.*Hα-helixtrans-68.4-39.2176-72163.2000112.3N86 K87 S92 L93 N94N86-L90 WeakPolarHBondContact O-CG 3.43Å; N86-L90 PolarHBondContact O-N 2.93Å; K87-L90 PolarHBondContact O-N 3.26Å; L90-S92 PolarHBondContact O-N 2.82Å; L90-L93 PolarHBondContact O-N 2.84Å; L90-N94 PolarHBondContact O-N 3.28Å
91S56.4Low59.4Low60 Ų60129.4 Ų129.442%0.4264%0.639SS.*Hα-helixtrans-67.1-33.5177.859.60000113.3K87 K88 Q95K87-S91 WeakPolarHBondContact O-CB 3.41Å; K87-S91 PolarHBondContact O-N 3.39Å; K87-S91 PolarHBondContact O-OG 3.27Å; K88-S91 VanDerWaalsContact CA-OG 3.31Å; K88-S91 WeakPolarHBondContact CA-OG 3.36Å; K88-S91 PolarHBondContact O-N 3.33Å; K88-S91 PolarHBondContact O-OG 3.04Å; S91-Q95 PolarHBondContact O-N 3.39Å
92S56.3Low57.5Low65 Ų65129.1 Ų129.146%0.45565%0.649SS.*Hα-helixtrans-73.2-30.7174.974.50000112.2K88 L89 L90K88-S92 PolarHBondContact O-N 3.2Å; L89-S92 PolarHBondContact O-OG 3.38Å; L90-S92 PolarHBondContact O-N 2.82Å
93L55.2Low55.6Low117 Ų117132.3 Ų132.361%0.61366%0.661SS**Hα-helixtrans-66.5-44.1173.9-158.674.3000111.1L89 L90 Q95 K96L89-L93 PolarHBondContact O-N 3.41Å; L90-L93 PolarHBondContact O-N 2.84Å; L93-Q95 PolarHBondContact O-N 2.99Å; L93-K96 PolarHBondContact O-N 3.44Å
94N53Low53.6Low106 Ų106131.5 Ų131.557%0.56767%0.665SS**Hα-helixtrans-69-28.7180-75.3-7.8000113.9L90 K96 T97L90-N94 PolarHBondContact O-N 3.28Å; N94-K96 VanDerWaalsContact C-N 3.32Å; N94-T97 PolarHBondContact O-N 2.95Å; N94-T97 PolarHBondContact O-OG1 3.41Å
95Q51.9Low51.7Low158 Ų158135.6 Ų135.674%0.73868%0.679SS**Hα-helixtrans-69.6-27.4175.7-80.6-176.5-2.900113S91 L93 T97S91-Q95 PolarHBondContact O-N 3.39Å; L93-Q95 PolarHBondContact O-N 2.99Å; Q95-T97 VanDerWaalsContact C-N 3.29Å; Q95-T97 PolarHBondContact O-N 2.96Å
96K51.8Low49.9Very low187 Ų187138.5 Ų138.581%0.81369%0.69SS**Hα-helixtrans-73.3-20.1177.7-77.9-173.7176.3-1780113.6L93 N94L93-K96 PolarHBondContact O-N 3.44Å; N94-K96 VanDerWaalsContact C-N 3.32Å
97T47.2Very low48.2Very low110 Ų110143.4 Ų143.468%0.67571%0.707SS**THydrogen-bonded Turntrans-88.2-9.9-179.826.40000114.9N94 Q95N94-T97 PolarHBondContact O-N 2.95Å; N94-T97 PolarHBondContact O-OG1 3.41Å; Q95-T97 VanDerWaalsContact C-N 3.29Å; Q95-T97 PolarHBondContact O-N 2.96Å
98H39Very low46.2Very low159 Ų159145.7 Ų145.774%0.73672%0.717SS**  trans-105.574.8174-82.9-78.7000111.1P100H98-P100 WeakPolarHBondContact O-CD 3.48Å
99K41Very low44.6Very low200 Ų200147.7 Ų147.787%0.8773%0.729SS**  trans-87.299.8147.8-79.5-172.2177.1-175.90106.8L101K99-L101 PolarHBondContact O-N 3.11Å
100P42.8Very low43Very low114 Ų114148 Ų14874%0.7474%0.736SS**  trans-72.1126.1170.129.2-30.3000108.6H98 D102H98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-D102 PolarHBondContact O-N 3.14Å
101L36.5Very low41.8Very low171 Ų171152.3 Ų152.390%0.89575%0.75SS**  trans-55.5123.5167.4-139.987.7000108K99 E103K99-L101 PolarHBondContact O-N 3.11Å; L101-E103 PolarHBondContact O-N 2.85Å
102D32.7Very low41Very low149 Ų149155 Ų15580%0.79777%0.767SS**  trans-69.4115172.7-165.16000108.2P100P100-D102 PolarHBondContact O-N 3.14Å
103E34.8Very low40.1Very low164 Ų164161.5 Ų161.577%0.76679%0.786SS**  trans-174.1100.2150.7-104.9168.9-159.500111.5L101L101-E103 PolarHBondContact O-N 2.85Å
104S38.9Very low39.3Very low97 Ų97161.2 Ų161.268%0.67879%0.792SS**  trans37.385.8135.960.40000119
105F35.6Very low38.2Very low193 Ų193162.1 Ų162.185%0.84680%0.801SS**  trans-131.885.9148.9-97.4-88.9000110.5F107F105-F107 HydrophobicContact CD1-CD2 4.14Å; F105-F107 PolarHBondContact O-N 3.35Å
106R32.6Very low37.4Very low245 Ų245165 Ų16593%0.92581%0.807SS**  trans-72.199.7159.6-77.2-174.6-178.9-168.51.7108
107F38.2Very low36.4Very low188 Ų188163 Ų16383%0.82581%0.805SS**  trans-133.4137.1153.8-91-83.3000110.9F105F105-F107 HydrophobicContact CD1-CD2 4.14Å; F105-F107 PolarHBondContact O-N 3.35Å
108K31.2Very low35.7Very low198 Ų198163.5 Ų163.586%0.86181%0.808SS**  trans-73132.4-172.4-63.3173.2170.4178.30110
109E38.2Very low35.2Very low198 Ų198165.7 Ų165.793%0.92582%0.816SS**  trans-132.6146.4146-81.5-166.5161.700110.5
110T30.8Very low34.5Very low125 Ų125159.7 Ų159.777%0.76781%0.811SS**  trans-105.9139.7-157.722.50000112.2
111K33.4Very low33.8Very low195 Ų195162 Ų16285%0.84882%0.817SS**  trans69.7161.3152.3-64.7-173.4-179.8-175.30118.8
112P40.1Very low33.4Very low117 Ų117160.7 Ų160.776%0.7681%0.811SS**  cis-117.9151.9-24.230.6-13.9000111.7
113K38Very low33.1Very low200 Ų200161.4 Ų161.487%0.8781%0.81SS**PPolyproline II helixtrans-78138.3169-89.7178.3175.9177.40109.7T115K113-T115 PolarHBondContact O-N 2.72Å
114P38.6Very low32.7Very low111 Ų111161.5 Ų161.572%0.72181%0.81SS**PPolyproline II helixtrans-65.3128-179.426.5-33.1000111.3
115T29.1Very low32.2Very low125 Ų125164 Ų16477%0.76781%0.814SS**PPolyproline II helixtrans-72.9119.7154.934.30000108.9K113K113-T115 PolarHBondContact O-N 2.72Å
116Y34.9Very low31.8Very low218 Ų218161.8 Ų161.886%0.85581%0.806SS**  trans-150139.4149.6-76.3-67.8000109.9
117D31.8Very low31.7Very low146 Ų146156.3 Ų156.378%0.78180%0.795SS**  trans-77.1144.6-155.1-69.8-61.4000116.2
118T31.1Very low31.2Very low120 Ų120156.9 Ų156.974%0.73679%0.793SS**SBendtrans-6.6113.5138.4-16.20000116.6
119F29.2Very low31.2Very low205 Ų205157 Ų15790%0.89980%0.797SS**  trans43113.4146.3-68.8-92.5000120.6
120G26.5Very low30.8Very low74 Ų74155.6 Ų155.676%0.76380%0.795SS**  trans-152.1101.3155.600000110.6N122G120-N122 PolarHBondContact O-N 3.12Å
121D28.8Very low30.7Very low162 Ų162156.2 Ų156.287%0.86679%0.793SS**  trans-56.8110.8151.6-79.6-40.8000107.3
122N27.6Very low30.7Very low145 Ų145153.6 Ų153.678%0.77579%0.794SS**  trans176.1131.9139.7-92-21000111.9G120G120-N122 PolarHBondContact O-N 3.12Å
123E25.9Very low30.2Very low164 Ų164153.1 Ų153.177%0.76679%0.788SS**  trans84.198.3150.9-64.7177.6-173.400119.4
124H25.5Very low30.1Very low166 Ų166149.5 Ų149.577%0.76978%0.783SS**  31.498.5125.3-80.3-45.7000117.7
125I28.8Very low29.6Very low149 Ų149151 Ų15176%0.76478%0.78SS**  trans-114.392.3146.7-59.4179.7000107.7
126Q27Very low29.8Very low147 Ų147149.7 Ų149.769%0.68778%0.777SS**  trans-63.2122.7158.6-69.2174.8-6.700108.4
127N31Very low29.6Very low130 Ų130143.2 Ų143.270%0.69577%0.768SS**  trans-13688161.9-92.3-40.1000109.7
128Y26.9Very low29.8Very low200 Ų200141.2 Ų141.278%0.78476%0.763SS**  trans2894.9145.3-58.4-83.3000117.9
129Q31.8Very low30.2Very low200 Ų200141 Ų14194%0.93576%0.764SS**  trans-106.9113.4144.6-80.2-168.82.900109.2
130L30.1Very low30.4Very low168 Ų168142.7 Ų142.788%0.8876%0.764SS**  trans-52.4137.7-175.2-83.8123.1000114.8
131N29.1Very low30.8Very low139 Ų139146.4 Ų146.474%0.74377%0.766SS**  trans-41130.7156.1-68.4-36.6000113.9
132T32.6Very low31Very low139 Ų139144.4 Ų144.485%0.85376%0.759SS**  -132.895.6129.923.50000107.6V134T132-V134 PolarHBondContact O-N 3.23Å
133V31Very low31.7Very low107 Ų107142.6 Ų142.665%0.64876%0.758SS**  trans-49.5107.3168.6174.80000108Q135V133-Q135 VanDerWaalsContact C-N 3.25Å; V133-Q135 HydrophobicContact CG1-CG 4.26Å; V133-Q135 PolarHBondContact O-N 2.99Å
134V33.9Very low32.2Very low125 Ų125141.9 Ų141.976%0.75876%0.76SS**  trans-61.498.2160.4175.30000104.8T132 S136T132-V134 PolarHBondContact O-N 3.23Å; V134-S136 PolarHBondContact O-N 3.11Å
135Q29.8Very low32.7Very low141 Ų141141.9 Ų141.966%0.65976%0.76SS**  trans-6678.2166.5-75.7-174.4-2200107.1V133 A137V133-Q135 VanDerWaalsContact C-N 3.25Å; V133-Q135 HydrophobicContact CG1-CG 4.26Å; V133-Q135 PolarHBondContact O-N 2.99Å; Q135-A137 PolarHBondContact O-N 3.38Å
136S33.2Very low32.8Very low99 Ų99144 Ų14469%0.69277%0.767SS**PPolyproline II helixtrans-54127.3161.6320000107V134V134-S136 PolarHBondContact O-N 3.11Å
137A30Very low33.1Very low82 Ų82144.3 Ų144.368%0.67877%0.772SS**PPolyproline II helixtrans-48.6141.5-178.400000110.5Q135Q135-A137 PolarHBondContact O-N 3.38Å
138P35.6Very low33Very low103 Ų103145 Ų14567%0.66978%0.781SS**PPolyproline II helixtrans-53.8141.7177.620.9-30.5000109.9R140P138-R140 PolarHBondContact O-N 3.08Å
139P39.3Very low33.1Very low117 Ų117140.6 Ų140.676%0.7678%0.775SS**PPolyproline II helixtrans-53.8134.9-175.119.7-30.7000110.6L141P139-L141 PolarHBondContact O-N 3.5Å
140R34.2Very low33Very low240 Ų240135.4 Ų135.491%0.90676%0.761SS**  trans-50.4109.3173.9-83.8-179.8170.4176.8-3.3108.7P138 T142P138-R140 PolarHBondContact O-N 3.08Å; R140-T142 PolarHBondContact O-N 2.79Å
141L33.9Very low32.9Very low151 Ų151135.8 Ų135.879%0.79176%0.76SS**  trans-62.7101.6170.1-73.8163.4000108.8P139 S143P139-L141 PolarHBondContact O-N 3.5Å; L141-S143 PolarHBondContact O-N 3.23Å
142T33.1Very low33.1Very low120 Ų120138.2 Ų138.274%0.73676%0.764SS**  trans-80.7102.4161.544.90000108.5R140 D144R140-T142 PolarHBondContact O-N 2.79Å; T142-D144 VanDerWaalsContact C-N 3.3Å; T142-D144 PolarHBondContact O-N 3.2Å
143S43Very low32.9Very low107 Ų107137.3 Ų137.375%0.74876%0.763SS**SBendtrans37.9-5.8151.855.70000124.8L141L141-S143 PolarHBondContact O-N 3.23Å
144D37.1Very low32.6Very low149 Ų149135.6 Ų135.680%0.79777%0.767SS**SBendtrans-110.510.1-173.8-67.9-3.7000114.7T142T142-D144 VanDerWaalsContact C-N 3.3Å; T142-D144 PolarHBondContact O-N 3.2Å
145Q35.1Very low32.2Very low167 Ų167140.4 Ų140.478%0.7877%0.772SS**  trans-127.531.6176.7-69.3-173.64.900114.7L147Q145-L147 PolarHBondContact O-N 3.4Å
146Q31.5Very low32Very low194 Ų194140.6 Ų140.691%0.90777%0.773SS**  trans-82.799.3160.3-86.2-172.1-6.900110.5T148Q146-T148 PolarHBondContact O-N 2.84Å
147L33.4Very low31.5Very low153 Ų153141.9 Ų141.980%0.80177%0.771SS**  trans-34.7122.2162-77.4142.1000112.5Q145 V149Q145-L147 PolarHBondContact O-N 3.4Å; L147-V149 VanDerWaalsContact C-N 3.3Å; L147-V149 HydrophobicContact CB-CG2 4.38Å; L147-V149 PolarHBondContact O-N 2.86Å
148T28Very low31.3Very low143 Ų143144 Ų14488%0.87777%0.771SS**  trans-58.585.5165.3-500000110.2Q146 S150Q146-T148 PolarHBondContact O-N 2.84Å; T148-S150 PolarHBondContact O-N 3.08Å
149V29.6Very low30.8Very low108 Ų108144.7 Ų144.766%0.65577%0.774SS**  trans-90.593168.8-174.40000108.2L147 M151L147-V149 VanDerWaalsContact C-N 3.3Å; L147-V149 HydrophobicContact CB-CG2 4.38Å; L147-V149 PolarHBondContact O-N 2.86Å; V149-M151 HydrophobicContact CG1-CE 4.49Å; V149-M151 PolarHBondContact O-N 3.34Å; V149-M151 VanDerWaalsContact O-N 3.08Å
150S29.8Very low30.2Very low91 Ų91144.3 Ų144.364%0.63677%0.774SS**  trans-54.8103167.6176.40000110.3T148 K152T148-S150 PolarHBondContact O-N 3.08Å; S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 3.01Å
151M27.5Very low29.9Very low177 Ų177144.9 Ų144.987%0.87278%0.776SS**  trans-76.481.6172.2-77.2-91.1152.200109.1V149V149-M151 HydrophobicContact CG1-CE 4.49Å; V149-M151 PolarHBondContact O-N 3.34Å; V149-M151 VanDerWaalsContact O-N 3.08Å
152K33.3Very low29.6Very low189 Ų189145.2 Ų145.282%0.82278%0.779SS**  trans-77.9135.4161.3-95.3-179.7176.1177.90109.6S150S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 3.01Å
153S28.4Very low29.5Very low120 Ų120147 Ų14784%0.83978%0.783SS**  trans-44.9146.2179.760.30000116
154G25.5Very low28.6Very low71 Ų71151.1 Ų151.173%0.73279%0.787SS**  trans121.7120.8133.200000117
155R24.8Very low28.2Very low227 Ų227152.1 Ų152.186%0.85779%0.791SS**  trans74.6114.8145.6-87.1-174172.8-168.2-2.6120.7
156Q25.3Very low27.8Very low145 Ų145148.8 Ų148.868%0.67879%0.787SS**  75120.4122-84.7-173.8-43.200121.5
157L24.2Very low27.6Very low126 Ų126147.9 Ų147.966%0.6678%0.78SS**  81.5122125-69.9167.9000120.8
158N24Very low27.7Very low126 Ų126147.7 Ų147.767%0.67478%0.779SS**  trans86.7104.9134.4-68.8-9.4000121
159T25.3Very low27.6Very low118 Ų118148.5 Ų148.572%0.72477%0.773SS**  60.9118.3124.560.30000121.2
160S26.6Very low27.8Very low108 Ų108150.9 Ų150.976%0.75578%0.781SS**  trans59.5106137.951.40000120
161R29.8Very low27.8Very low253 Ų253155.3 Ų155.396%0.95579%0.789SS**  -175.8136.3124.4-104.3171-179.61720.6112.2
162N26.3Very low27.8Very low158 Ų158154.6 Ų154.685%0.84579%0.788SS**  trans-63.1138.8166.9-96.3-60.7000112.3
163L31.9Very low27.9Very low158 Ų158151.2 Ų151.283%0.82779%0.788SS**  trans-177.7101.4150.4-100142.4000107.6
164K23.4Very low28Very low193 Ų193152.3 Ų152.384%0.83978%0.784SS**  51.9134.588.1-88.3-171.9179.6179.80116.2
165L29Very low28.2Very low169 Ų169156.6 Ų156.689%0.88579%0.79SS**  trans101.1138.7168.1-59.6159.7000114.2
166S26.3Very low28.4Very low97 Ų97153.7 Ų153.768%0.67879%0.792SS**  cis-154152.39.447.20000110.7
167K26.9Very low28.7Very low176 Ų176153.6 Ų153.677%0.76580%0.795SS**  trans-69128.3172.2-72.3169.8173.5177.20110
168N36.5Very low28.8Very low148 Ų148159 Ų15979%0.79181%0.806SS**  trans-98.2112.8165-77.1-1.6000109.1
169E24.7Very low29Very low160 Ų160162.4 Ų162.475%0.74881%0.811SS**  trans-77.3131.7166.3-69.1172.7158.300108.8
170I34.8Very low29.1Very low159 Ų159167 Ų16782%0.81582%0.821SS**  trans-127.4114.7170.9-58.3175.3000106.2
171F28.7Very low29.3Very low184 Ų184166.5 Ų166.581%0.80782%0.817SS**  trans-72.2150-179.5-81.2-96.7000112.7
172L27.6Very low29.1Very low161 Ų161162.9 Ų162.984%0.84381%0.811SS**  trans-71.7133.8164.2-76.1101.9000110.3
173S36.7Very low29.3Very low119 Ų119160.2 Ų160.283%0.83281%0.805SS**  trans-117.2115.9159.5670000109.5N175S173-N175 PolarHBondContact O-N 3.49Å
174D28.9Very low29.1Very low143 Ų143157 Ų15777%0.76580%0.801SS**  trans-65.7115171.2-67.2-49.5000110.5
175N31.5Very low29.5Very low160 Ų160155.6 Ų155.686%0.85680%0.801SS**  trans160.983.9144.6-81.6-27000110.6S173 I177S173-N175 PolarHBondContact O-N 3.49Å; N175-I177 PolarHBondContact O-N 2.88Å; N175-I177 VanDerWaalsContact O-N 3.11Å
176N28.9Very low29.4Very low166 Ų166154.7 Ų154.789%0.88880%0.795SS**  trans-71.187162.8-89.3-32.3000109.7
177I29.9Very low29.7Very low143 Ų143161 Ų16173%0.73380%0.804SS**  trans-162.8107.6146.8-77.1122.6000106.3N175 Y179N175-I177 PolarHBondContact O-N 2.88Å; N175-I177 VanDerWaalsContact O-N 3.11Å; I177-Y179 HydrophobicContact CG2-CD2 4.47Å; I177-Y179 HydrophobicContact CG2-CE2 4.11Å
178R28.1Very low30.1Very low241 Ų241158.2 Ų158.291%0.90981%0.805SS**  trans-150.898.9152.4-128.9176.8-161.9175.25.2111.8
179Y27.4Very low29.9Very low197 Ų197161.4 Ų161.477%0.77381%0.811SS**  trans30.8114.9140.7-67-85.2000119.1I177 S181I177-Y179 HydrophobicContact CG2-CD2 4.47Å; I177-Y179 HydrophobicContact CG2-CE2 4.11Å; Y179-S181 PolarHBondContact O-N 3.49Å
180K28.2Very low30.3Very low215 Ų215162.1 Ų162.194%0.93582%0.815SS**  trans-58113.3155.7-67.5-179.6172.5-178.20110.8
181S29.4Very low30.3Very low96 Ų96163.8 Ų163.867%0.67182%0.819SS**  trans-165.3116.3152.751.40000104Y179Y179-S181 PolarHBondContact O-N 3.49Å
182E26.9Very low30.6Very low178 Ų178158.6 Ų158.683%0.83282%0.818SS**  -173.3141.783.3-96175.4168.500111.4
183S29.3Very low31.1Very low101 Ų101156.6 Ų156.671%0.70681%0.812SS**  trans42.1109.9148.843.20000120.6I185S183-I185 PolarHBondContact O-N 2.85Å
184A28.8Very low31.2Very low91 Ų91160.1 Ų160.175%0.75281%0.813SS**  trans-51113.8152.800000111.8I186A184-I186 HydrophobicContact CB-CG1 4.4Å
185I31.7Very low31.8Very low164 Ų164161.2 Ų161.284%0.84182%0.818SS**  trans-94.597.4153.8-60.7175.9000106.3S183S183-I185 PolarHBondContact O-N 2.85Å
186I27.3Very low32.3Very low149 Ų149159 Ų15976%0.76481%0.811SS**  trans-76.7120.9168.4-61.4168.8000107.6A184A184-I186 HydrophobicContact CB-CG1 4.4Å
187R31.5Very low33Very low230 Ų230158.8 Ų158.887%0.86880%0.804SS**  trans-173162.6145.4-74.2-140.2179-174.7-0.7110
188P36.1Very low33.4Very low118 Ų118163 Ų16377%0.76681%0.811SS**  -121.7166.4-7728.9-7.6000113.5E190P188-E190 PolarHBondContact O-N 2.87Å; P188-E190 VanDerWaalsContact O-N 3.12Å
189K32.6Very low34Very low214 Ų214162.1 Ų162.193%0.9381%0.807SS**  trans-65.695.8174-84177.1166.8176.60111.8
190E33Very low34.7Very low176 Ų176158.2 Ų158.282%0.82281%0.806SS**  trans-145.1118.8156.7-71.2-165.9161.400112.5P188P188-E190 PolarHBondContact O-N 2.87Å; P188-E190 VanDerWaalsContact O-N 3.12Å
191Q33.3Very low35.6Very low193 Ų193156.9 Ų156.990%0.90280%0.804SS**  trans45.483.5151.4-65.5177.1-7.700118.7
192G36Very low36.3Very low76 Ų76156.5 Ų156.578%0.78480%0.801SS**  trans-81124163.900000112.3
193T37.4Very low37.5Very low119 Ų119153 Ų15373%0.7379%0.788SS**  trans-56.8154.2-17420.80000117L195T193-L195 PolarHBondContact O-N 3.46Å
194F39Very low38.4Very low192 Ų192153 Ų15384%0.84279%0.785SS**THydrogen-bonded Turntrans-33.9-3.9179.1-108.4-94.9000121.1
195L40.8Very low39.3Very low166 Ų166155.1 Ų155.187%0.86978%0.783SS**THydrogen-bonded Turntrans-83.5-12.4-173.6-101.3149.2000114.6T193T193-L195 PolarHBondContact O-N 3.46Å
196T42.9Very low40Very low115 Ų115150.4 Ų150.471%0.70677%0.765SS**SBendtrans-98.8-6.9-171.328.20000116W198T196-W198 PolarHBondContact O-N 2.93Å
197Q43.8Very low40.8Very low160 Ų160151.5 Ų151.575%0.74876%0.76SS**THydrogen-bonded Turntrans-84.6-5.2-172.2-73-172.3-16.300116.3
198W37.9Very low41.4Very low233 Ų233151.6 Ų151.688%0.88376%0.76SS**THydrogen-bonded Turntrans-116.318.9-175.4-73.7102.4000115.5T196 P200T196-W198 PolarHBondContact O-N 2.93Å; W198-P200 WeakPolarHBondContact O-CD 3.2Å
199R41Very low41.6Very low221 Ų221152.2 Ų152.283%0.83476%0.757SS**SBendtrans-88.9102.7161-74.2-166179.6170.72.6107.7E201R199-E201 PolarHBondContact O-N 3.36Å
200P43Very low42.1Very low115 Ų115145.9 Ų145.975%0.74773%0.732SS**  trans-56.3112.8165.820.1-28.6000108.2W198 S202W198-P200 WeakPolarHBondContact O-CD 3.2Å; P200-S202 VanDerWaalsContact C-N 3.3Å; P200-S202 PolarHBondContact O-N 2.84Å
201E45.3Very low42.3Very low188 Ų188145.7 Ų145.788%0.87973%0.731SS**  trans-72.682172.9-71.8-171.4155.900108.5R199R199-E201 PolarHBondContact O-N 3.36Å
202S45.1Very low42.9Very low87 Ų87145.1 Ų145.161%0.60873%0.726SS**  trans-155.8131.1168.5-42.10000111P200P200-S202 VanDerWaalsContact C-N 3.3Å; P200-S202 PolarHBondContact O-N 2.84Å
203D50.9Low43.2Very low106 Ų106146.9 Ų146.957%0.56772%0.722SS**  trans-35.9125.8-179.1-162.8-13.5000114.5L205 S206D203-L205 PolarHBondContact O-N 2.98Å; D203-L205 PolarHBondContact OD1-N 3.43Å; D203-S206 PolarHBondContact O-N 2.82Å
204P49.8Very low43.4Very low100 Ų100147.5 Ų147.565%0.64973%0.726SS**THydrogen-bonded Turntrans-63.2-4.3179.524.1-34.2000115.1W207P204-W207 VanDerWaalsContact C-CD1 3.44Å
205L47Very low43.8Very low135 Ų135144 Ų14471%0.70772%0.715SS**THydrogen-bonded Turntrans-90.6-13.4-178.7-82.5150.7000115.6D203 W207D203-L205 PolarHBondContact O-N 2.98Å; D203-L205 PolarHBondContact OD1-N 3.43Å; L205-W207 PolarHBondContact O-N 2.69Å
206S46.1Very low44Very low66 Ų66142.2 Ų142.246%0.46271%0.706SS.*G310 helixtrans-80.70.1175.379.50000114.1D203 R208 D209D203-S206 PolarHBondContact O-N 2.82Å; S206-R208 PolarHBondContact O-N 3.28Å; S206-D209 PolarHBondContact O-N 2.85Å
207W44.4Very low44.4Very low172 Ų172140.7 Ų140.765%0.65270%0.7SS**G310 helixtrans-62.1-11.6179.8-71.260.5000113.5P204 L205 D209 I210P204-W207 VanDerWaalsContact C-CD1 3.44Å; L205-W207 PolarHBondContact O-N 2.69Å; W207-D209 PolarHBondContact O-N 3.29Å; W207-I210 HydrophobicContact CB-CD1 4.36Å; W207-I210 HydrophobicContact CD2-CD1 3.99Å; W207-I210 HydrophobicContact CE3-CD1 3.86Å; W207-I210 HydrophobicContact CG-CD1 4.21Å; W207-I210 HydrophobicContact CZ3-CD1 4.48Å; W207-I210 PolarHBondContact O-N 2.94Å
208R43.6Very low44.7Very low231 Ų231138.2 Ų138.287%0.87269%0.692SS**G310 helixtrans-64.7-23.5171-69.2-166.1-179.1-164.82.1113.3S206S206-R208 PolarHBondContact O-N 3.28Å
209D39.8Very low45.5Very low131 Ų131129.3 Ų129.370%0.70167%0.668SS**G310 helixtrans-93.2-0.7-177.2-58.1-33.4000113S206 W207 Q211S206-D209 PolarHBondContact O-N 2.85Å; W207-D209 PolarHBondContact O-N 3.29Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-Q211 PolarHBondContact O-N 3.49Å
210I44.5Very low46Very low81 Ų81126.9 Ų126.942%0.41566%0.659SS.*  trans-78.686.6174.5-54.8175.3000108.2W207 F212W207-I210 HydrophobicContact CB-CD1 4.36Å; W207-I210 HydrophobicContact CD2-CD1 3.99Å; W207-I210 HydrophobicContact CE3-CD1 3.86Å; W207-I210 HydrophobicContact CG-CD1 4.21Å; W207-I210 HydrophobicContact CZ3-CD1 4.48Å; W207-I210 PolarHBondContact O-N 2.94Å; I210-F212 HydrophobicContact CG2-CD2 4.4Å; I210-F212 HydrophobicContact CG2-CE1 4.41Å; I210-F212 HydrophobicContact CG2-CE2 4.04Å; I210-F212 HydrophobicContact CG2-CZ 4.05Å; I210-F212 PolarHBondContact O-N 3.21Å
211Q37.2Very low46.4Very low172 Ų172127.2 Ų127.280%0.80465%0.651SS**  trans-70.2110163-82.5-172.4-9.900109.2D209 T213D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-Q211 PolarHBondContact O-N 3.49Å; Q211-T213 PolarHBondContact O-N 3.45Å
212F44.6Very low46.6Very low181 Ų181125.5 Ų125.579%0.79464%0.64SS**  trans-70.298.4163.5-64.9-87.3000108I210 T214I210-F212 HydrophobicContact CG2-CD2 4.4Å; I210-F212 HydrophobicContact CG2-CE1 4.41Å; I210-F212 HydrophobicContact CG2-CE2 4.04Å; I210-F212 HydrophobicContact CG2-CZ 4.05Å; I210-F212 PolarHBondContact O-N 3.21Å; F212-T214 PolarHBondContact O-N 2.87Å
213T43Very low47Very low113 Ų113124.1 Ų124.169%0.69363%0.63SS**  trans-73.2119.8165.842.70000108.2Q211 I215Q211-T213 PolarHBondContact O-N 3.45Å; T213-I215 PolarHBondContact O-N 2.91Å; T213-I215 VanDerWaalsContact O-N 3.16Å
214T41.4Very low46.7Very low133 Ų133128 Ų12882%0.81664%0.637SS**  trans-66.4111172410000108.4F212 D216F212-T214 PolarHBondContact O-N 2.87Å; T214-D216 PolarHBondContact O-N 3.42Å
215I47Very low46.5Very low119 Ų119129.3 Ų129.361%0.6164%0.639SS**  trans-70.7121.3168.2-58.7173000106.9T213 S217 A219 R220T213-I215 PolarHBondContact O-N 2.91Å; T213-I215 VanDerWaalsContact O-N 3.16Å; I215-S217 PolarHBondContact O-N 3.47Å; I215-A219 HydrophobicContact CG2-CB 3.92Å; I215-R220 HydrophobicContact CG2-CB 4.28Å
216D45.4Very low46.1Very low128 Ų128133.1 Ų133.168%0.68464%0.643SS**  trans-50.8138.9173.7-88.9-28.4000111T214 D218 A219 R220T214-D216 PolarHBondContact O-N 3.42Å; D216-D218 PolarHBondContact O-N 2.91Å; D216-D218 VanDerWaalsContact O-N 3.12Å; D216-A219 WeakPolarHBondContact O-CB 3.42Å; D216-A219 PolarHBondContact O-N 3.11Å; D216-R220 PolarHBondContact O-N 3.38Å
217S51.6Low45.9Very low83 Ų83133 Ų13358%0.5864%0.637SS**Hα-helixtrans-50.8-40.4-176.151.50000112.6I215 R220 E221I215-S217 PolarHBondContact O-N 3.47Å; S217-R220 WeakPolarHBondContact O-CB 3.41Å; S217-R220 PolarHBondContact O-N 3.32Å; S217-E221 PolarHBondContact O-N 2.9Å
218D50.3Low45.8Very low107 Ų107131 Ų13157%0.57265%0.648SS**Hα-helixtrans-72.5-34.8-176.1-66.38.7000111.7D216 E221 K222D216-D218 PolarHBondContact O-N 2.91Å; D216-D218 VanDerWaalsContact O-N 3.12Å; D218-E221 PolarHBondContact O-N 2.94Å; D218-K222 WeakPolarHBondContact O-CB 3.31Å; D218-K222 WeakPolarHBondContact O-CG 3.23Å; D218-K222 PolarHBondContact O-N 2.61Å
219A54.1Low45.5Very low47 Ų47123.4 Ų123.439%0.38864%0.642SS.*Hα-helixtrans-66.2-43.5171.600000109.9I215 D216 E221 K222 S223I215-A219 HydrophobicContact CG2-CB 3.92Å; D216-A219 WeakPolarHBondContact O-CB 3.42Å; D216-A219 PolarHBondContact O-N 3.11Å; A219-E221 VanDerWaalsContact C-N 3.32Å; A219-E221 PolarHBondContact O-N 2.93Å; A219-K222 PolarHBondContact O-N 3.42Å; A219-S223 WeakPolarHBondContact O-CB 3.21Å; A219-S223 PolarHBondContact O-N 3.25Å; A219-S223 PolarHBondContact O-OG 2.9Å
220R51.8Low45.2Very low169 Ų169120 Ų12064%0.63863%0.632SS**Hα-helixtrans-60.9-39.1176.5-171-179.7-178.6-170.81.1112.3I215 D216 S217 S223 R224I215-R220 HydrophobicContact CG2-CB 4.28Å; D216-R220 PolarHBondContact O-N 3.38Å; S217-R220 WeakPolarHBondContact O-CB 3.41Å; S217-R220 PolarHBondContact O-N 3.32Å; R220-S223 PolarHBondContact O-N 3.4Å; R220-R224 WeakPolarHBondContact O-CG 3.25Å; R220-R224 PolarHBondContact O-N 2.9Å
221E50.4Low44.7Very low122 Ų122122.5 Ų122.557%0.5764%0.64SS**Hα-helixtrans-73.3-41.5178.4-166.2159-156.400112S217 D218 A219 S223 R224 N225S217-E221 PolarHBondContact O-N 2.9Å; D218-E221 PolarHBondContact O-N 2.94Å; A219-E221 VanDerWaalsContact C-N 3.32Å; A219-E221 PolarHBondContact O-N 2.93Å; E221-S223 VanDerWaalsContact C-N 3.3Å; E221-S223 PolarHBondContact O-N 3.19Å; E221-R224 PolarHBondContact O-N 3.4Å; E221-N225 PolarHBondContact O-N 3.16Å
222K51.4Low44.4Very low153 Ų153120.1 Ų120.167%0.66563%0.633SS**Hα-helixtrans-62.3-35.8170.7-78.3176.6-179169.70112.5D218 A219 N225 R226D218-K222 WeakPolarHBondContact O-CB 3.31Å; D218-K222 WeakPolarHBondContact O-CG 3.23Å; D218-K222 PolarHBondContact O-N 2.61Å; A219-K222 PolarHBondContact O-N 3.42Å; K222-N225 PolarHBondContact O-N 2.89Å; K222-R226 PolarHBondContact O-N 3.46Å
223S51.7Low44.3Very low57 Ų57116.5 Ų116.540%0.39964%0.636SS.*Hα-helixtrans-62.2-51.9171.3-54.40000110.3A219 R220 E221 N225 R226 L227A219-S223 WeakPolarHBondContact O-CB 3.21Å; A219-S223 PolarHBondContact O-N 3.25Å; A219-S223 PolarHBondContact O-OG 2.9Å; R220-S223 PolarHBondContact O-N 3.4Å; E221-S223 VanDerWaalsContact C-N 3.3Å; E221-S223 PolarHBondContact O-N 3.19Å; S223-N225 PolarHBondContact O-N 2.99Å; S223-R226 PolarHBondContact O-N 3.01Å; S223-R226 VanDerWaalsContact O-N 3.11Å; S223-L227 VanDerWaalsContact O-CB 3.24Å; S223-L227 WeakPolarHBondContact O-CB 3.28Å; S223-L227 VanDerWaalsContact O-CD1 3.26Å; S223-L227 WeakPolarHBondContact O-CD1 3.46Å; S223-L227 WeakPolarHBondContact O-CG 3.35Å; S223-L227 PolarHBondContact O-N 2.93Å
224R45.7Very low44.3Very low189 Ų189116.5 Ų116.571%0.71364%0.637SS**Hα-helixtrans-55.5-39.2178.5-75.7179.799.1174.75.6112.4R220 E221 L227R220-R224 WeakPolarHBondContact O-CG 3.25Å; R220-R224 PolarHBondContact O-N 2.9Å; E221-R224 PolarHBondContact O-N 3.4Å; R224-L227 PolarHBondContact O-N 2.93Å
225N45.4Very low44Very low126 Ų126114.4 Ų114.467%0.67463%0.627SS**Hα-helixtrans-75-27.8-179.3-70.4-18.3000113.7E221 K222 S223E221-N225 PolarHBondContact O-N 3.16Å; K222-N225 PolarHBondContact O-N 2.89Å; S223-N225 PolarHBondContact O-N 2.99Å
226R39.2Very low43.6Very low215 Ų215117.7 Ų117.781%0.81164%0.637SS**Hα-helixtrans-80.6-24170.8-75.8-174.7172.9-173.6-1.7113.3K222 S223 C228 G229K222-R226 PolarHBondContact O-N 3.46Å; S223-R226 PolarHBondContact O-N 3.01Å; S223-R226 VanDerWaalsContact O-N 3.11Å; R226-C228 VanDerWaalsContact C-N 3.26Å; R226-C228 PolarHBondContact O-N 3.47Å; R226-G229 PolarHBondContact O-N 3.01Å
227L41.2Very low43.1Very low63 Ų63119.8 Ų119.833%0.3364%0.643SS.*THydrogen-bonded Turntrans-81.74.4-171.6-75.1168.3000115.1S223 R224 G229 F231S223-L227 VanDerWaalsContact O-CB 3.24Å; S223-L227 WeakPolarHBondContact O-CB 3.28Å; S223-L227 VanDerWaalsContact O-CD1 3.26Å; S223-L227 WeakPolarHBondContact O-CD1 3.46Å; S223-L227 WeakPolarHBondContact O-CG 3.35Å; S223-L227 PolarHBondContact O-N 2.93Å; R224-L227 PolarHBondContact O-N 2.93Å; L227-G229 PolarHBondContact O-N 3.18Å; L227-F231 HydrophobicContact CB-CD2 4.15Å; L227-F231 HydrophobicContact CD1-CD2 3.67Å; L227-F231 HydrophobicContact CD1-CE2 3.29Å; L227-F231 HydrophobicContact CD1-CZ 4.25Å; L227-F231 HydrophobicContact CD2-CB 4.16Å; L227-F231 HydrophobicContact CD2-CD2 3.21Å; L227-F231 HydrophobicContact CD2-CE2 3.63Å; L227-F231 HydrophobicContact CD2-CG 3.74Å; L227-F231 HydrophobicContact CD2-CZ 4.44Å; L227-F231 HydrophobicContact CG-CD2 3.83Å; L227-F231 HydrophobicContact CG-CE2 3.97Å
228C43.4Very low42.2Very low131 Ų131122.6 Ų122.689%0.88565%0.651SS**THydrogen-bonded Turntrans-69.6-12.8164.4-139.20000112.3R226R226-C228 VanDerWaalsContact C-N 3.26Å; R226-C228 PolarHBondContact O-N 3.47Å
229G36.6Very low41.3Very low71 Ų71124.7 Ų124.773%0.73266%0.66SS**THydrogen-bonded Turntrans-114.2-29.1-173.500000117.7R226 L227R226-G229 PolarHBondContact O-N 3.01Å; L227-G229 PolarHBondContact O-N 3.18Å
230A32.3Very low40.1Very low61 Ų61131.3 Ų131.350%0.50468%0.677SS.*  trans-16480.6-176.500000112.3N232A230-N232 PolarHBondContact O-N 2.9Å
231F34.4Very low39.3Very low132 Ų132127.5 Ų127.558%0.57968%0.682SS**  trans-78.769.5153.1-129.2-65.2000107.5L227L227-F231 HydrophobicContact CB-CD2 4.15Å; L227-F231 HydrophobicContact CD1-CD2 3.67Å; L227-F231 HydrophobicContact CD1-CE2 3.29Å; L227-F231 HydrophobicContact CD1-CZ 4.25Å; L227-F231 HydrophobicContact CD2-CB 4.16Å; L227-F231 HydrophobicContact CD2-CD2 3.21Å; L227-F231 HydrophobicContact CD2-CE2 3.63Å; L227-F231 HydrophobicContact CD2-CG 3.74Å; L227-F231 HydrophobicContact CD2-CZ 4.44Å; L227-F231 HydrophobicContact CG-CD2 3.83Å; L227-F231 HydrophobicContact CG-CE2 3.97Å
232N32.3Very low38.4Very low123 Ų123134.4 Ų134.466%0.65871%0.714SS**  trans-69.4130.8160.6-81.8-18.4000107A230 T234A230-N232 PolarHBondContact O-N 2.9Å; N232-T234 PolarHBondContact O-N 2.92Å
233A42Very low37.8Very low104 Ų104133.5 Ų133.586%0.8672%0.716SS**SBendtrans-6649.2-166.200000116.8
234T41.9Very low37.1Very low114 Ų114137.5 Ų137.570%0.69973%0.733SS**  trans-130.81-171.845.90000118.3N232N232-T234 PolarHBondContact O-N 2.92Å
235S35.7Very low36.6Very low88 Ų88134.7 Ų134.762%0.61573%0.734SS**  trans-95.114.2-17560.60000117.2
236F38Very low36.1Very low189 Ų189135.2 Ų135.283%0.82974%0.738SS**  trans-108.975.7160.9-66.2-74.4000109.2L238F236-L238 PolarHBondContact O-N 2.74Å
237Q35.2Very low35.9Very low172 Ų172130.2 Ų130.280%0.80473%0.733SS**  trans-75.1108.4158-88.1177.1-25.100107.3I239Q237-I239 PolarHBondContact O-N 2.74Å
238L33.3Very low35.5Very low142 Ų142134.7 Ų134.774%0.74376%0.76SS**  trans-60.9102.5159.3-95.4137.7000107.2F236 Y240F236-L238 PolarHBondContact O-N 2.74Å; L238-Y240 HydrophobicContact CB-CE2 4.34Å; L238-Y240 PolarHBondContact O-N 2.81Å
239I30.3Very low34.9Very low150 Ų150134.9 Ų134.977%0.76975%0.751SS**  trans-77.7102.6165.1-57.6176.3000105.3Q237 A241Q237-I239 PolarHBondContact O-N 2.74Å; I239-A241 PolarHBondContact O-N 2.82Å
240Y29.9Very low34.8Very low186 Ų186139.8 Ų139.873%0.72975%0.752SS**  trans-64.1113.5164.6-76.5-91.7000107.1L238 Q242L238-Y240 HydrophobicContact CB-CE2 4.34Å; L238-Y240 PolarHBondContact O-N 2.81Å; Y240-Q242 PolarHBondContact O-N 2.97Å
241A34.1Very low35Very low90 Ų90146.4 Ų146.474%0.74477%0.773SS**  trans-64.3124.3160.600000107I239I239-A241 PolarHBondContact O-N 2.82Å
242Q33.2Very low35.1Very low267 Ų267147.7 Ų147.7100%1.24879%0.791SS**  trans-66.20171.7-78.1-177.3-30.200111.4Y240Y240-Q242 PolarHBondContact O-N 2.97Å

Retrieved 242 of 242 residues in 51 ms (Link to these results)

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