A0A096NRJ8_PAPAN Loading...

Family with sequence similarity 83 member A

AlphaFold DB , UniProt , Accession A0A096NRJ8, Species PAPAN (Papio anubis, Olive baboon), Gene FAM83A, Length 434 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
1M35.3Very low72.7Confident241 Ų241123.7 Ų123.7100%1.18760%0.595SS**  0108.40-6317789.800108R3M1-R3 PolarHBondContact O-N 3.05Å
2S44.5Very low74.2Confident125 Ų125123.8 Ų123.887%0.87459%0.591SS**  trans-77.5105.6177.9178.60000108.1S4S2-S4 PolarHBondContact O-N 2.7Å
3R49.3Very low75.5Confident234 Ų234128.7 Ų128.788%0.88360%0.599SS**PPolyproline II helixtrans-60.8120.1167.3-78.1-177.7176.1-179.4-1.3106.3M1 R5M1-R3 PolarHBondContact O-N 3.05Å; R3-R5 PolarHBondContact O-N 2.95Å
4S58.9Low76.6Confident114 Ų114124.6 Ų124.680%0.79758%0.584SS**PPolyproline II helixtrans-52.2119169.763.70000107S2 H6S2-S4 PolarHBondContact O-N 2.7Å; S4-H6 PolarHBondContact O-N 2.84Å; S4-H6 VanDerWaalsContact O-N 3.13Å
5R68.8Low77.5Confident224 Ų224121.5 Ų121.585%0.84557%0.569SS**PPolyproline II helixtrans-58.5124.7-180-63.8-175.8-160.6-170.95.5107R3 L7R3-R5 PolarHBondContact O-N 2.95Å; R5-L7 PolarHBondContact O-N 3.03Å
6H83.9Confident78.2Confident122 Ų122117.8 Ų117.857%0.56555%0.554SS**PPolyproline II helixtrans-56.2130.6169-176.969.3000107.3S4 E57S4-H6 PolarHBondContact O-N 2.84Å; S4-H6 VanDerWaalsContact O-N 3.13Å; H6-E57 PolarHBondContact CD2-O 3.47Å; H6-E57 VanDerWaalsContact CD2-O 3.24Å; H6-E57 IonicContact NE2-OE2 3.4Å
7L90.1Very high78.8Confident89 Ų89117.4 Ų117.447%0.46656%0.561SS.*  trans-118.1118.8-174.8-89.3154.5000107.3R5 R11R5-L7 PolarHBondContact O-N 3.03Å; L7-R11 HydrophobicContact CD2-CB 4.28Å; L7-R11 VanDerWaalsContact CD2-CD 3.46Å; L7-R11 HydrophobicContact CD2-CG 3.63Å
8G90.6Very high79.4Confident1 Ų1117.9 Ų117.91%0.0156%0.561CS.*  trans-58.4154.4173.700000111.4I10 R11 K12 E57 G58 E59G8-I10 VanDerWaalsContact C-N 3.33Å; G8-I10 PolarHBondContact O-N 3.06Å; G8-R11 PolarHBondContact O-N 3.42Å; G8-K12 WeakPolarHBondContact O-CB 3.43Å; G8-K12 PolarHBondContact O-N 3.26Å; G8-E57 PolarHBondContact N-O 2.94Å; G8-G58 PolarHBondContact N-O 3.01Å; G8-E59 VanDerWaalsContact C-OE2 3.26Å; G8-E59 WeakPolarHBondContact CA-OE2 3.37Å
9K92.1Very high79.9Confident60 Ų60114.4 Ų114.426%0.26155%0.55SS..Hα-helixtrans-59.7-42.2-174.7-176.9175.5175.7171.70112R13 D28 S30 N32 E59K9-R13 PolarHBondContact O-N 2.93Å; K9-D28 WeakPolarHBondContact CE-OD2 3.37Å; K9-D28 IonicContact NZ-OD1 2.86Å; K9-D28 PolarHBondContact NZ-OD1 2.87Å; K9-D28 IonicContact NZ-OD2 2.75Å; K9-D28 PolarHBondContact NZ-OD2 3.08Å; K9-S30 PolarHBondContact NZ-O 2.88Å; K9-S30 PolarHBondContact NZ-OG 3.46Å; K9-N32 HydrophobicContact CD-CB 4.34Å; K9-E59 PolarHBondContact N-OE2 2.83Å
10I93.1Very high79.7Confident63 Ų63117.7 Ų117.732%0.32356%0.564SS.*Hα-helixtrans-72.8-43.6-179-55.3163.3000109.7G8 K12 R13 L14 N32 E59 V60 F62G8-I10 VanDerWaalsContact C-N 3.33Å; G8-I10 PolarHBondContact O-N 3.06Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; I10-R13 PolarHBondContact O-N 3.27Å; I10-L14 WeakPolarHBondContact O-CB 3.3Å; I10-L14 PolarHBondContact O-N 3.38Å; I10-N32 WeakPolarHBondContact CD1-ND2 3.4Å; I10-N32 WeakPolarHBondContact CG1-ND2 3.18Å; I10-E59 WeakPolarHBondContact CA-OE1 3.43Å; I10-E59 VanDerWaalsContact CB-OE1 3.26Å; I10-E59 WeakPolarHBondContact CB-OE1 3.43Å; I10-E59 PolarHBondContact N-OE1 3.23Å; I10-E59 VanDerWaalsContact N-OE1 3.12Å; I10-E59 PolarHBondContact N-OE2 3.36Å; I10-E59 VanDerWaalsContact N-OE2 3.15Å; I10-V60 HydrophobicContact CB-CG2 3.76Å; I10-V60 HydrophobicContact CG2-CG2 3.38Å; I10-F62 HydrophobicContact CD1-CB 3.98Å; I10-F62 HydrophobicContact CD1-CD1 4.32Å; I10-F62 HydrophobicContact CD1-CG 4.17Å
11R93Very high79.6Confident88 Ų88123.4 Ų123.433%0.33258%0.58SS.*Hα-helixtrans-56.9-47.1175.3-173.3171.5-67.4-91.31.4111.8L7 G8 R13 L14 E15 G58 E59 V60L7-R11 HydrophobicContact CD2-CB 4.28Å; L7-R11 VanDerWaalsContact CD2-CD 3.46Å; L7-R11 HydrophobicContact CD2-CG 3.63Å; G8-R11 PolarHBondContact O-N 3.42Å; R11-R13 PolarHBondContact O-N 3.11Å; R11-L14 WeakPolarHBondContact O-CB 3.32Å; R11-L14 PolarHBondContact O-N 3.3Å; R11-E15 WeakPolarHBondContact O-CG 3.42Å; R11-E15 PolarHBondContact O-N 2.89Å; R11-G58 WeakPolarHBondContact CB-O 3.39Å; R11-G58 WeakPolarHBondContact CD-O 3.42Å; R11-G58 PolarHBondContact NE-O 2.92Å; R11-G58 VanDerWaalsContact NE-O 3.09Å; R11-E59 PolarHBondContact N-OE1 3.26Å; R11-E59 PolarHBondContact NE-O 2.56Å; R11-E59 PolarHBondContact NH2-O 3.26Å; R11-V60 HydrophobicContact CB-CG1 3.91Å; R11-V60 HydrophobicContact CG-CG1 4.17Å
12K91.1Very high81.6Confident125 Ų125115 Ų11554%0.54354%0.542SS..Hα-helixtrans-57.6-50.7177.8-176.9-179.8177.4-177.50111.2G8 I10 L14 E15 D16G8-K12 WeakPolarHBondContact O-CB 3.43Å; G8-K12 PolarHBondContact O-N 3.26Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.32Å; K12-E15 PolarHBondContact O-N 3.16Å; K12-D16 PolarHBondContact O-N 3.21Å
13R90.4Very high83Confident187 Ų187119.7 Ų119.771%0.70654%0.541SS*.Hα-helixtrans-58.7-38.8177.1-177.9-179.5167.8-165.2-4.4111.9K9 I10 R11 D16 V17K9-R13 PolarHBondContact O-N 2.93Å; I10-R13 PolarHBondContact O-N 3.27Å; R11-R13 PolarHBondContact O-N 3.11Å; R13-D16 PolarHBondContact O-N 3.36Å; R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.5Å; R13-V17 PolarHBondContact O-N 2.93Å
14L90.9Very high84Confident72 Ų72114.8 Ų114.838%0.37754%0.539SS..Hα-helixtrans-65.4-42.9178.3179.962.3000112.1I10 R11 K12 V17 K18 V60I10-L14 WeakPolarHBondContact O-CB 3.3Å; I10-L14 PolarHBondContact O-N 3.38Å; R11-L14 WeakPolarHBondContact O-CB 3.32Å; R11-L14 PolarHBondContact O-N 3.3Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.32Å; L14-V17 PolarHBondContact O-N 3.25Å; L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 2.88Å; L14-K18 VanDerWaalsContact O-N 3.08Å; L14-V60 HydrophobicContact CD2-CG1 4.11Å
15E90.5Very high84.7Confident78 Ų78113.3 Ų113.336%0.36453%0.534SS..Hα-helixtrans-68.3-36.9177.1-65.8-53.8128.800112.3R11 K12 V17 K18 S19R11-E15 WeakPolarHBondContact O-CG 3.42Å; R11-E15 PolarHBondContact O-N 2.89Å; K12-E15 PolarHBondContact O-N 3.16Å; E15-V17 PolarHBondContact O-N 2.48Å; E15-K18 PolarHBondContact O-N 3.46Å; E15-K18 IonicContact OE1-NZ 3.41Å; E15-K18 PolarHBondContact OE1-NZ 2.92Å; E15-S19 PolarHBondContact O-N 3.41Å; E15-S19 PolarHBondContact O-OG 3.2Å
16D89.1Confident85.3Confident61 Ų61111.1 Ų111.133%0.32653%0.526SS..Hα-helixtrans-61.7-42.7173.2-69.3-20000111.2K12 R13 S19 V22K12-D16 PolarHBondContact O-N 3.21Å; R13-D16 PolarHBondContact O-N 3.36Å; D16-S19 PolarHBondContact O-N 3.06Å; D16-V22 HydrophobicContact CB-CG1 4Å
17V88.4Confident85.3Confident112 Ų112108.8 Ų108.868%0.67953%0.527SS*.Hα-helixtrans-68.3-34.9178.6169.70000112.6R13 L14 E15 S19R13-V17 VanDerWaalsContact O-CG2 3.27Å; R13-V17 WeakPolarHBondContact O-CG2 3.5Å; R13-V17 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.25Å; E15-V17 PolarHBondContact O-N 2.48Å; V17-S19 PolarHBondContact O-N 3.45Å
18K89.6Confident85Confident127 Ų127109.1 Ų109.155%0.55253%0.53SS*.Hα-helixtrans-69-23.8175.3-72.3171.7-175.8168.80112.4L14 E15 Q20L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 2.88Å; L14-K18 VanDerWaalsContact O-N 3.08Å; E15-K18 PolarHBondContact O-N 3.46Å; E15-K18 IonicContact OE1-NZ 3.41Å; E15-K18 PolarHBondContact OE1-NZ 2.92Å; K18-Q20 PolarHBondContact O-N 3.5Å
19S87.8Confident84.8Confident51 Ų51117.3 Ų117.336%0.35757%0.566SS.*  trans-84.2109-176.2-61.80000110.6E15 D16 V17 W21 V22E15-S19 PolarHBondContact O-N 3.41Å; E15-S19 PolarHBondContact O-OG 3.2Å; D16-S19 PolarHBondContact O-N 3.06Å; V17-S19 PolarHBondContact O-N 3.45Å; S19-W21 PolarHBondContact O-N 3.49Å; S19-V22 VanDerWaalsContact CB-CG2 3.48Å; S19-V22 PolarHBondContact O-N 3.28Å
20Q77.4Confident84.5Confident179 Ų179117.9 Ų117.984%0.83658%0.577SS**THydrogen-bonded Turntrans-58.8-19.7179.2-68.8178.72.600114.1K18K18-Q20 PolarHBondContact O-N 3.5Å
21W77Confident84.2Confident238 Ų238121.5 Ų121.590%0.90260%0.597SS**THydrogen-bonded Turntrans-100.4-3.6-173.5-54.1100.3000113.7S19S19-W21 PolarHBondContact O-N 3.49Å
22V76.6Confident84.2Confident64 Ų64119.1 Ų119.139%0.38859%0.591SS.*SBendtrans-93.3124.6-179.6177.80000109D16 S19D16-V22 HydrophobicContact CB-CG1 4Å; S19-V22 VanDerWaalsContact CB-CG2 3.48Å; S19-V22 PolarHBondContact O-N 3.28Å
23R75.1Confident84.2Confident224 Ų224117.5 Ų117.585%0.84559%0.585SS**PPolyproline II helixtrans-66.4135.6173.1-72.6-174.8178.41790.1109.2A25R23-A25 PolarHBondContact O-N 3Å; R23-A25 VanDerWaalsContact O-N 3.13Å
24P70.4Confident84.3Confident131 Ų131109 Ų10985%0.85155%0.554SS**PPolyproline II helixtrans-54.8122175.9-24.332.9000110.6
25A73.1Confident84.5Confident83 Ų83106.2 Ų106.269%0.68654%0.542SS*.PPolyproline II helixtrans-65.5155.817100000110R23R23-A25 PolarHBondContact O-N 3Å; R23-A25 VanDerWaalsContact O-N 3.13Å
26R80.8Confident84.6Confident179 Ų179105.7 Ų105.768%0.67554%0.537SS*.PPolyproline II helixtrans-57.5144.7167.5-80.9-171.7177.8178.91.7109.4D28R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.16Å
27A83.6Confident84.9Confident72 Ų72104.7 Ų104.760%0.59553%0.531SS*.PPolyproline II helixtrans-58.4121.5175.300000109.7F29A27-F29 HydrophobicContact CB-CE1 4.18Å; A27-F29 HydrophobicContact CB-CE2 3.76Å; A27-F29 HydrophobicContact CB-CZ 3.55Å
28D83.9Confident85.3Confident97 Ų9799.3 Ų99.352%0.51950%0.498SS..  trans-97.6113.6175.5177.14.2000108.8K9 R26 S30K9-D28 WeakPolarHBondContact CE-OD2 3.37Å; K9-D28 IonicContact NZ-OD1 2.86Å; K9-D28 PolarHBondContact NZ-OD1 2.87Å; K9-D28 IonicContact NZ-OD2 2.75Å; K9-D28 PolarHBondContact NZ-OD2 3.08Å; R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.16Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-CB 3.3Å; D28-S30 WeakPolarHBondContact OD1-CB 3.41Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.4Å
29F86.3Confident85.6Confident173 Ų17394 Ų9476%0.75948%0.477SS*.  trans-99.57.4-179.7-57.6-71.6000113.4A27A27-F29 HydrophobicContact CB-CE1 4.18Å; A27-F29 HydrophobicContact CB-CE2 3.76Å; A27-F29 HydrophobicContact CB-CZ 3.55Å
30S87.4Confident85.9Confident72 Ų7291.9 Ų91.950%0.50346%0.461SS..SBendtrans-68.3159.917661.90000112.2K9 D28K9-S30 PolarHBondContact NZ-O 2.88Å; K9-S30 PolarHBondContact NZ-OG 3.46Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-CB 3.3Å; D28-S30 WeakPolarHBondContact OD1-CB 3.41Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.4Å
31D86.4Confident86.8Confident138 Ų13884.1 Ų84.174%0.73843%0.427SS*.  trans-61152.3-179.5-64.2-42.8000112.5
32N91.8Very high87.7Confident38 Ų3872.9 Ų72.920%0.20339%0.385CS..  trans-108.499.4178.1-169.29.9000111.2K9 I10 S34 A35 R36 E59K9-N32 HydrophobicContact CD-CB 4.34Å; I10-N32 WeakPolarHBondContact CD1-ND2 3.4Å; I10-N32 WeakPolarHBondContact CG1-ND2 3.18Å; N32-S34 PolarHBondContact ND2-OG 2.96Å; N32-S34 PolarHBondContact O-N 3.14Å; N32-S34 PolarHBondContact OD1-N 2.89Å; N32-S34 PolarHBondContact OD1-OG 3.21Å; N32-A35 HydrophobicContact CB-CB 3.93Å; N32-A35 PolarHBondContact O-N 3.31Å; N32-R36 PolarHBondContact O-N 3.3Å; N32-E59 PolarHBondContact ND2-OE2 3.16Å
33E91.8Very high88.5Confident91 Ų9170 Ų7043%0.42537%0.367SS..Hα-helixtrans-63.9-39.5-177.4-177.860.4-170.100112.7A35 R36 L37 K231E33-A35 VanDerWaalsContact C-N 3.32Å; E33-A35 PolarHBondContact O-N 3.2Å; E33-R36 VanDerWaalsContact CD-NH2 3.32Å; E33-R36 WeakPolarHBondContact O-CB 3.4Å; E33-R36 PolarHBondContact O-N 3.34Å; E33-R36 IonicContact OE1-CZ 3.96Å; E33-R36 IonicContact OE1-NE 3.17Å; E33-R36 PolarHBondContact OE1-NE 3.12Å; E33-R36 IonicContact OE1-NH2 3.37Å; E33-R36 PolarHBondContact OE1-NH2 3.27Å; E33-R36 IonicContact OE2-CZ 3.41Å; E33-R36 IonicContact OE2-NE 3.4Å; E33-R36 PolarHBondContact OE2-NE 3.01Å; E33-R36 IonicContact OE2-NH2 2.64Å; E33-R36 PolarHBondContact OE2-NH2 3.27Å; E33-L37 HydrophobicContact CG-CD1 4.32Å; E33-L37 HydrophobicContact CG-CG 4.46Å; E33-L37 WeakPolarHBondContact O-CG 3.34Å; E33-L37 PolarHBondContact O-N 3.09Å; E33-K231 IonicContact OE1-NZ 3.97Å
34S93.5Very high89.2Confident8 Ų862.2 Ų62.26%0.05634%0.343CS..Hα-helixtrans-62.7-39.9177.154.30000111.6N32 L37 A38 E59N32-S34 PolarHBondContact ND2-OG 2.96Å; N32-S34 PolarHBondContact O-N 3.14Å; N32-S34 PolarHBondContact OD1-N 2.89Å; N32-S34 PolarHBondContact OD1-OG 3.21Å; S34-L37 PolarHBondContact O-N 3.37Å; S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 3.02Å; S34-E59 PolarHBondContact OG-OE2 3.05Å
35A93.9Very high90.2Very high14 Ų1458.1 Ų58.112%0.11632%0.324CS..Hα-helixtrans-66.5-39.8175.600000111.6N32 E33 A38 T39 F62N32-A35 HydrophobicContact CB-CB 3.93Å; N32-A35 PolarHBondContact O-N 3.31Å; E33-A35 VanDerWaalsContact C-N 3.32Å; E33-A35 PolarHBondContact O-N 3.2Å; A35-A38 PolarHBondContact O-N 3.2Å; A35-T39 WeakPolarHBondContact O-CB 3.41Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 3.2Å; A35-F62 HydrophobicContact CB-CD1 4.31Å; A35-F62 HydrophobicContact CB-CE1 3.69Å; A35-F62 HydrophobicContact CB-CE2 4.06Å; A35-F62 HydrophobicContact CB-CZ 3.56Å; A35-F62 WeakPolarHBondContact O-CZ 3.44Å
36R93.7Very high91.1Very high68 Ų6854.9 Ų54.926%0.25730%0.299SS..Hα-helixtrans-60.6-51174.3-172-177.175.1113.2-11.8111.6N32 E33 A38 T39 D40 K231N32-R36 PolarHBondContact O-N 3.3Å; E33-R36 VanDerWaalsContact CD-NH2 3.32Å; E33-R36 WeakPolarHBondContact O-CB 3.4Å; E33-R36 PolarHBondContact O-N 3.34Å; E33-R36 IonicContact OE1-CZ 3.96Å; E33-R36 IonicContact OE1-NE 3.17Å; E33-R36 PolarHBondContact OE1-NE 3.12Å; E33-R36 IonicContact OE1-NH2 3.37Å; E33-R36 PolarHBondContact OE1-NH2 3.27Å; E33-R36 IonicContact OE2-CZ 3.41Å; E33-R36 IonicContact OE2-NE 3.4Å; E33-R36 PolarHBondContact OE2-NE 3.01Å; E33-R36 IonicContact OE2-NH2 2.64Å; E33-R36 PolarHBondContact OE2-NH2 3.27Å; R36-A38 VanDerWaalsContact C-N 3.29Å; R36-A38 PolarHBondContact O-N 2.84Å; R36-T39 PolarHBondContact O-N 2.89Å; R36-T39 VanDerWaalsContact O-N 3.08Å; R36-D40 PolarHBondContact O-N 2.84Å; R36-K231 VanDerWaalsContact CZ-CE 3.49Å; R36-K231 VanDerWaalsContact NH1-CE 3.29Å; R36-K231 VanDerWaalsContact NH2-CE 3.28Å
37L94.7Very high91.8Very high39 Ų3948.6 Ų48.620%0.20428%0.281CS..Hα-helixtrans-57.9-41.6177.7-68.5174.4000112.3E33 S34 A41 V53 E57E33-L37 HydrophobicContact CG-CD1 4.32Å; E33-L37 HydrophobicContact CG-CG 4.46Å; E33-L37 WeakPolarHBondContact O-CG 3.34Å; E33-L37 PolarHBondContact O-N 3.09Å; S34-L37 PolarHBondContact O-N 3.37Å; L37-A41 WeakPolarHBondContact O-CB 3.32Å; L37-A41 PolarHBondContact O-N 2.64Å; L37-V53 HydrophobicContact CB-CG1 3.87Å; L37-E57 HydrophobicContact CD1-CG 4.19Å
38A96.3Very high92.4Very high0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-64.8-41176.400000111.3S34 A35 R36 A41 L42 Y50 V53 L54 F62S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 3.02Å; A35-A38 PolarHBondContact O-N 3.2Å; R36-A38 VanDerWaalsContact C-N 3.29Å; R36-A38 PolarHBondContact O-N 2.84Å; A38-A41 PolarHBondContact O-N 3.17Å; A38-L42 PolarHBondContact O-N 2.87Å; A38-Y50 HydrophobicContact CB-CD2 3.75Å; A38-Y50 HydrophobicContact CB-CE2 3.79Å; A38-Y50 WeakPolarHBondContact O-CD2 3.34Å; A38-V53 HydrophobicContact CB-CG1 4.21Å; A38-L54 HydrophobicContact CB-CD2 3.72Å; A38-L54 HydrophobicContact CB-CG 4.24Å; A38-F62 HydrophobicContact CB-CE1 4Å; A38-F62 HydrophobicContact CB-CZ 4.34Å
39T95.3Very high93Very high15 Ų1547.1 Ų47.19%0.09226%0.261CS..Hα-helixtrans-66.9-41.8178.7-52.30000111.6A35 R36 A41 L42 L43 Y228A35-T39 WeakPolarHBondContact O-CB 3.41Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 3.2Å; R36-T39 PolarHBondContact O-N 2.89Å; R36-T39 VanDerWaalsContact O-N 3.08Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.4Å; T39-L42 WeakPolarHBondContact O-CB 3.25Å; T39-L42 PolarHBondContact O-N 3.4Å; T39-L43 PolarHBondContact O-N 2.74Å; T39-Y228 HydrophobicContact CG2-CE1 3.99Å; T39-Y228 HydrophobicContact CG2-CE2 4.25Å
40D95.1Very high93.5Very high7 Ų739.2 Ų39.24%0.03723%0.226CC..Hα-helixtrans-55.9-49.7171-74.3-18000110.2R36 L42 L43 D44 Y228 A230 K231R36-D40 PolarHBondContact O-N 2.84Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 2.83Å; D40-L43 PolarHBondContact O-N 3.25Å; D40-D44 WeakPolarHBondContact O-CB 3.43Å; D40-D44 PolarHBondContact O-N 3.08Å; D40-Y228 PolarHBondContact OD1-OH 3.17Å; D40-A230 HydrophobicContact CB-CB 4.48Å; D40-A230 VanDerWaalsContact OD1-CA 3.27Å; D40-A230 WeakPolarHBondContact OD1-CA 3.44Å; D40-K231 WeakPolarHBondContact OD2-CE 3.32Å; D40-K231 WeakPolarHBondContact OD2-CG 3.49Å
41A95.4Very high94Very high15 Ų1541.6 Ų41.612%0.12422%0.224CC..Hα-helixtrans-63.6-34.9179.400000113.1L37 A38 T39 D44 G45 G46 A49 V53L37-A41 WeakPolarHBondContact O-CB 3.32Å; L37-A41 PolarHBondContact O-N 2.64Å; A38-A41 PolarHBondContact O-N 3.17Å; T39-A41 VanDerWaalsContact C-N 3.34Å; T39-A41 PolarHBondContact O-N 3.4Å; A41-D44 PolarHBondContact O-N 2.94Å; A41-G45 PolarHBondContact O-N 3.36Å; A41-G46 PolarHBondContact O-N 2.76Å; A41-A49 HydrophobicContact CB-CB 4.19Å; A41-A49 WeakPolarHBondContact O-CB 3.44Å; A41-V53 HydrophobicContact CB-CB 4.18Å; A41-V53 HydrophobicContact CB-CG2 3.56Å
42L95.8Very high94.5Very high2 Ų242 Ų421%0.0122%0.215CC..Hα-helixtrans-62.8-45.5174.6-177.766.7000111.5A38 T39 D40 D44 G46 Y50 L63 A68 I71 Q72A38-L42 PolarHBondContact O-N 2.87Å; T39-L42 WeakPolarHBondContact O-CB 3.25Å; T39-L42 PolarHBondContact O-N 3.4Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 2.83Å; L42-D44 VanDerWaalsContact C-N 3.34Å; L42-G46 WeakPolarHBondContact O-CA 3.49Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-G46 VanDerWaalsContact O-N 3.08Å; L42-Y50 HydrophobicContact CB-CD2 4.16Å; L42-Y50 HydrophobicContact CB-CG 4.36Å; L42-Y50 HydrophobicContact CD1-CG 4.25Å; L42-L63 HydrophobicContact CD2-CD1 3.52Å; L42-A68 HydrophobicContact CD2-CB 4.06Å; L42-I71 HydrophobicContact CD2-CB 4.22Å; L42-I71 HydrophobicContact CD2-CD1 4.06Å; L42-I71 HydrophobicContact CD2-CG2 4.01Å; L42-I71 HydrophobicContact CG-CG2 4.45Å; L42-Q72 HydrophobicContact CD1-CG 4.42Å; L42-Q72 HydrophobicContact CG-CG 4.46Å
43L93.3Very high94.7Very high4 Ų441.4 Ų41.42%0.02121%0.213CC..Hα-helixtrans-66-38.7178-80167.5000112.1T39 D40 I71 A75 Y228 A230 R234 F236T39-L43 PolarHBondContact O-N 2.74Å; D40-L43 PolarHBondContact O-N 3.25Å; L43-I71 HydrophobicContact CD1-CG2 4.46Å; L43-I71 HydrophobicContact CD2-CG2 3.35Å; L43-I71 HydrophobicContact CG-CG2 3.63Å; L43-A75 HydrophobicContact CD2-CB 3.92Å; L43-Y228 HydrophobicContact CD1-CD1 3.47Å; L43-Y228 VanDerWaalsContact CD1-CD1 3.47Å; L43-Y228 HydrophobicContact CD1-CE1 3.51Å; L43-A230 HydrophobicContact CB-CB 4.24Å; L43-A230 HydrophobicContact CD1-CB 3.9Å; L43-R234 WeakPolarHBondContact O-CD 3.11Å; L43-R234 VanDerWaalsContact O-CZ 3.28Å; L43-R234 PolarHBondContact O-NE 2.88Å; L43-R234 PolarHBondContact O-NH1 3.4Å; L43-F236 HydrophobicContact CD1-CD1 3.73Å; L43-F236 HydrophobicContact CD1-CE1 3.84Å; L43-F236 HydrophobicContact CD2-CD1 3.69Å; L43-F236 HydrophobicContact CD2-CE1 4.36Å; L43-F236 HydrophobicContact CD2-CG 4.45Å; L43-F236 HydrophobicContact CG-CD1 4.21Å; L43-F236 HydrophobicContact CG-CE1 4.46Å
44D91.4Very high94.9Very high61 Ų6137.3 Ų37.333%0.32619%0.194SC..Hα-helixtrans-82.2-47-172.6-67.2-14.4000112.5D40 A41 L42 S232 R234D40-D44 WeakPolarHBondContact O-CB 3.43Å; D40-D44 PolarHBondContact O-N 3.08Å; A41-D44 PolarHBondContact O-N 2.94Å; L42-D44 VanDerWaalsContact C-N 3.34Å; D44-S232 VanDerWaalsContact CG-OG 3.27Å; D44-S232 WeakPolarHBondContact OD1-CB 3.28Å; D44-S232 PolarHBondContact OD1-OG 2.86Å; D44-S232 WeakPolarHBondContact OD2-CB 3.32Å; D44-S232 PolarHBondContact OD2-OG 2.88Å; D44-R234 PolarHBondContact O-NH1 3.26Å
45G90Very high95Very high44 Ų4441.7 Ų41.745%0.45423%0.225SC..Hα-helixtrans-128.111.4-167.900000114.9A41A41-G45 PolarHBondContact O-N 3.36Å
46G93.6Very high95.1Very high15 Ų1546.9 Ų46.916%0.15525%0.247CC..Hα-helixtrans76.4-167.4175.300000114.5A41 L42 E48 A49 Y50A41-G46 PolarHBondContact O-N 2.76Å; L42-G46 WeakPolarHBondContact O-CA 3.49Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-G46 VanDerWaalsContact O-N 3.08Å; G46-E48 VanDerWaalsContact C-N 3.33Å; G46-E48 PolarHBondContact O-N 3Å; G46-A49 PolarHBondContact O-N 3.19Å; G46-Y50 PolarHBondContact O-N 3.24Å; G46-Y50 VanDerWaalsContact O-N 3.16Å
47P95.6Very high95.2Very high48 Ų4846.1 Ų46.131%0.31225%0.246SC..Hα-helixtrans-61.2-39.3-172.3-19.932.6000112.6A49 Y50 W51P47-A49 VanDerWaalsContact C-N 3.3Å; P47-A49 PolarHBondContact O-N 3.41Å; P47-Y50 WeakPolarHBondContact O-CB 3.08Å; P47-Y50 PolarHBondContact O-N 2.84Å; P47-W51 VanDerWaalsContact C-CD1 3.5Å; P47-W51 PolarHBondContact O-N 3.49Å
48E96.2Very high95.2Very high126 Ų12644.9 Ų44.959%0.58924%0.243SC*.Hα-helixtrans-64.1-38-178-61.275.6-165.100111.7G46 R52G46-E48 VanDerWaalsContact C-N 3.33Å; G46-E48 PolarHBondContact O-N 3Å; E48-R52 WeakPolarHBondContact O-CB 3.2Å; E48-R52 PolarHBondContact O-N 2.9Å; E48-R52 VanDerWaalsContact O-N 3.11Å
49A96.1Very high95.2Very high12 Ų1245 Ų4510%0.09924%0.243CC..Hα-helixtrans-67.6-42.3175.200000111.4A41 G46 P47 R52 V53A41-A49 HydrophobicContact CB-CB 4.19Å; A41-A49 WeakPolarHBondContact O-CB 3.44Å; G46-A49 PolarHBondContact O-N 3.19Å; P47-A49 VanDerWaalsContact C-N 3.3Å; P47-A49 PolarHBondContact O-N 3.41Å; A49-R52 WeakPolarHBondContact O-CB 3.27Å; A49-R52 PolarHBondContact O-N 2.95Å; A49-V53 PolarHBondContact O-N 2.92Å
50Y97.1Very high95.2Very high6 Ų645.3 Ų45.32%0.02425%0.245CC..Hα-helixtrans-55.1-52.4172.8169.5-103.8000112A38 L42 G46 P47 R52 V53 L54 D61 F62 L63A38-Y50 HydrophobicContact CB-CD2 3.75Å; A38-Y50 HydrophobicContact CB-CE2 3.79Å; A38-Y50 WeakPolarHBondContact O-CD2 3.34Å; L42-Y50 HydrophobicContact CB-CD2 4.16Å; L42-Y50 HydrophobicContact CB-CG 4.36Å; L42-Y50 HydrophobicContact CD1-CG 4.25Å; G46-Y50 PolarHBondContact O-N 3.24Å; G46-Y50 VanDerWaalsContact O-N 3.16Å; P47-Y50 WeakPolarHBondContact O-CB 3.08Å; P47-Y50 PolarHBondContact O-N 2.84Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.5Å; Y50-V53 PolarHBondContact O-N 3.22Å; Y50-L54 HydrophobicContact CD1-CD1 4.03Å; Y50-L54 HydrophobicContact CD2-CG 4.49Å; Y50-L54 HydrophobicContact CE1-CD1 3.46Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.46Å; Y50-L54 HydrophobicContact CE1-CG 4.33Å; Y50-L54 HydrophobicContact CE2-CD1 4.06Å; Y50-L54 HydrophobicContact CE2-CD2 4.28Å; Y50-L54 HydrophobicContact CE2-CG 4.18Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.48Å; Y50-L54 WeakPolarHBondContact O-CG 3.48Å; Y50-L54 PolarHBondContact O-N 3.43Å; Y50-D61 VanDerWaalsContact CE1-OD1 3.23Å; Y50-D61 WeakPolarHBondContact CE1-OD1 3.47Å; Y50-D61 VanDerWaalsContact CZ-OD1 3.31Å; Y50-D61 PolarHBondContact OH-OD1 3.16Å; Y50-F62 HydrophobicContact CE2-CE1 4.06Å; Y50-F62 HydrophobicContact CE2-CZ 4.24Å; Y50-F62 PolarHBondContact OH-N 3.02Å; Y50-L63 HydrophobicContact CD2-CD1 4.4Å; Y50-L63 HydrophobicContact CE2-CD1 3.78Å; Y50-L63 HydrophobicContact CE2-CG 4.26Å; Y50-L63 PolarHBondContact OH-N 3.28Å
51W97Very high95.2Very high122 Ų12248.9 Ų48.946%0.46226%0.264SS..Hα-helixtrans-61.4-36.5179.5-65.8122.2000113.4P47 L54 S55 D61P47-W51 VanDerWaalsContact C-CD1 3.5Å; P47-W51 PolarHBondContact O-N 3.49Å; W51-L54 HydrophobicContact CE3-CD1 3.8Å; W51-L54 HydrophobicContact CZ3-CD1 4Å; W51-S55 PolarHBondContact O-N 3.3Å; W51-S55 VanDerWaalsContact O-N 3.09Å; W51-S55 PolarHBondContact O-OG 3.46Å; W51-D61 HydrophobicContact CH2-CB 3.85Å; W51-D61 WeakPolarHBondContact CH2-OD2 3.45Å; W51-D61 HydrophobicContact CZ3-CB 3.63Å
52R97.1Very high95.2Very high147 Ų14751.2 Ų51.256%0.55527%0.272SS*.Hα-helixtrans-64.3-47.1176.8-168.4-173.6-57.1124.64.4111E48 A49 Y50 S55 Q56E48-R52 WeakPolarHBondContact O-CB 3.2Å; E48-R52 PolarHBondContact O-N 2.9Å; E48-R52 VanDerWaalsContact O-N 3.11Å; A49-R52 WeakPolarHBondContact O-CB 3.27Å; A49-R52 PolarHBondContact O-N 2.95Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.5Å; R52-S55 WeakPolarHBondContact O-CB 3.47Å; R52-S55 PolarHBondContact O-N 3.01Å; R52-Q56 VanDerWaalsContact O-CG 3.3Å; R52-Q56 WeakPolarHBondContact O-CG 3.33Å; R52-Q56 PolarHBondContact O-N 3.09Å
53V96.3Very high95.2Very high25 Ų2552.2 Ų52.215%0.15228%0.277CS..Hα-helixtrans-66.3-41.7178.8173.10000111.3L37 A38 A41 A49 Y50 S55 Q56 E57L37-V53 HydrophobicContact CB-CG1 3.87Å; A38-V53 HydrophobicContact CB-CG1 4.21Å; A41-V53 HydrophobicContact CB-CB 4.18Å; A41-V53 HydrophobicContact CB-CG2 3.56Å; A49-V53 PolarHBondContact O-N 2.92Å; Y50-V53 PolarHBondContact O-N 3.22Å; V53-S55 PolarHBondContact O-N 2.94Å; V53-Q56 PolarHBondContact O-N 3.2Å; V53-Q56 VanDerWaalsContact O-N 3.12Å; V53-E57 HydrophobicContact CG1-CG 3.91Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 WeakPolarHBondContact O-CG 3.4Å; V53-E57 PolarHBondContact O-N 3.13Å
54L96.4Very high95.3Very high6 Ų654.6 Ų54.63%0.03129%0.294CS..Hα-helixtrans-56.3-41.2173.6-70.9-177.4000112.5A38 Y50 W51 G58 E59 V60 D61 F62A38-L54 HydrophobicContact CB-CD2 3.72Å; A38-L54 HydrophobicContact CB-CG 4.24Å; Y50-L54 HydrophobicContact CD1-CD1 4.03Å; Y50-L54 HydrophobicContact CD2-CG 4.49Å; Y50-L54 HydrophobicContact CE1-CD1 3.46Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.46Å; Y50-L54 HydrophobicContact CE1-CG 4.33Å; Y50-L54 HydrophobicContact CE2-CD1 4.06Å; Y50-L54 HydrophobicContact CE2-CD2 4.28Å; Y50-L54 HydrophobicContact CE2-CG 4.18Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.48Å; Y50-L54 WeakPolarHBondContact O-CG 3.48Å; Y50-L54 PolarHBondContact O-N 3.43Å; W51-L54 HydrophobicContact CE3-CD1 3.8Å; W51-L54 HydrophobicContact CZ3-CD1 4Å; L54-G58 CarbonylContact O-C 3.58Å; L54-G58 WeakPolarHBondContact O-CA 3.43Å; L54-G58 PolarHBondContact O-N 2.89Å; L54-E59 HydrophobicContact CD2-CB 3.87Å; L54-E59 HydrophobicContact CD2-CG 4.15Å; L54-E59 PolarHBondContact O-N 3.17Å; L54-V60 WeakPolarHBondContact CD2-O 3.45Å; L54-D61 HydrophobicContact CD1-CB 4.24Å; L54-F62 HydrophobicContact CD2-CD1 4.22Å; L54-F62 HydrophobicContact CD2-CE1 4.03Å
55S95.6Very high95.5Very high100 Ų10055.8 Ų55.870%0.69931%0.307SS*.Hα-helixtrans-68.1-38.1178.2-59.30000112.2W51 R52 V53W51-S55 PolarHBondContact O-N 3.3Å; W51-S55 VanDerWaalsContact O-N 3.09Å; W51-S55 PolarHBondContact O-OG 3.46Å; R52-S55 WeakPolarHBondContact O-CB 3.47Å; R52-S55 PolarHBondContact O-N 3.01Å; V53-S55 PolarHBondContact O-N 2.94Å
56Q95.1Very high95.7Very high123 Ų12358.7 Ų58.758%0.57532%0.316SS*.Hα-helixtrans-70-45.7178.3-72.6171.1-7.300112.1R52 V53 G58R52-Q56 VanDerWaalsContact O-CG 3.3Å; R52-Q56 WeakPolarHBondContact O-CG 3.33Å; R52-Q56 PolarHBondContact O-N 3.09Å; V53-Q56 PolarHBondContact O-N 3.2Å; V53-Q56 VanDerWaalsContact O-N 3.12Å; Q56-G58 PolarHBondContact O-N 3.31Å
57E95.3Very high95.8Very high51 Ų5162.5 Ų62.524%0.23833%0.329CS..THydrogen-bonded Turntrans-79.9-3.3179.2-61.4-57.1128.400112.6H6 G8 L37 V53 E59H6-E57 PolarHBondContact CD2-O 3.47Å; H6-E57 VanDerWaalsContact CD2-O 3.24Å; H6-E57 IonicContact NE2-OE2 3.4Å; G8-E57 PolarHBondContact N-O 2.94Å; L37-E57 HydrophobicContact CD1-CG 4.19Å; V53-E57 HydrophobicContact CG1-CG 3.91Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 WeakPolarHBondContact O-CG 3.4Å; V53-E57 PolarHBondContact O-N 3.13Å; E57-E59 PolarHBondContact O-N 3.24Å
58G94.9Very high95.7Very high14 Ų1461.1 Ų61.114%0.14432%0.322CS..THydrogen-bonded Turntrans59.834.6-178.500000112.6G8 R11 L54 Q56G8-G58 PolarHBondContact N-O 3.01Å; R11-G58 WeakPolarHBondContact CB-O 3.39Å; R11-G58 WeakPolarHBondContact CD-O 3.42Å; R11-G58 PolarHBondContact NE-O 2.92Å; R11-G58 VanDerWaalsContact NE-O 3.09Å; L54-G58 CarbonylContact O-C 3.58Å; L54-G58 WeakPolarHBondContact O-CA 3.43Å; L54-G58 PolarHBondContact O-N 2.89Å; Q56-G58 PolarHBondContact O-N 3.31Å
59E95.8Very high95.6Very high2 Ų261.2 Ų61.21%0.00932%0.323CS..PPolyproline II helixtrans-96167.8-177.1-164.755.3-76.700111.3G8 K9 I10 R11 N32 S34 L54 E57G8-E59 VanDerWaalsContact C-OE2 3.26Å; G8-E59 WeakPolarHBondContact CA-OE2 3.37Å; K9-E59 PolarHBondContact N-OE2 2.83Å; I10-E59 WeakPolarHBondContact CA-OE1 3.43Å; I10-E59 VanDerWaalsContact CB-OE1 3.26Å; I10-E59 WeakPolarHBondContact CB-OE1 3.43Å; I10-E59 PolarHBondContact N-OE1 3.23Å; I10-E59 VanDerWaalsContact N-OE1 3.12Å; I10-E59 PolarHBondContact N-OE2 3.36Å; I10-E59 VanDerWaalsContact N-OE2 3.15Å; R11-E59 PolarHBondContact N-OE1 3.26Å; R11-E59 PolarHBondContact NE-O 2.56Å; R11-E59 PolarHBondContact NH2-O 3.26Å; N32-E59 PolarHBondContact ND2-OE2 3.16Å; S34-E59 PolarHBondContact OG-OE2 3.05Å; L54-E59 HydrophobicContact CD2-CB 3.87Å; L54-E59 HydrophobicContact CD2-CG 4.15Å; L54-E59 PolarHBondContact O-N 3.17Å; E57-E59 PolarHBondContact O-N 3.24Å
60V95.4Very high95.5Very high21 Ų2163 Ų6313%0.12733%0.327CS..PPolyproline II helixtrans-89.8158.3170.7-64.30000111.2I10 R11 L14 L54 F62I10-V60 HydrophobicContact CB-CG2 3.76Å; I10-V60 HydrophobicContact CG2-CG2 3.38Å; R11-V60 HydrophobicContact CB-CG1 3.91Å; R11-V60 HydrophobicContact CG-CG1 4.17Å; L14-V60 HydrophobicContact CD2-CG1 4.11Å; L54-V60 WeakPolarHBondContact CD2-O 3.45Å; V60-F62 PolarHBondContact O-N 3Å
61D95.9Very high95.3Very high83 Ų8363.2 Ų63.244%0.44433%0.329SS..PPolyproline II helixtrans-66.2117.2165-173.823.1000110.1Y50 W51 L54Y50-D61 VanDerWaalsContact CE1-OD1 3.23Å; Y50-D61 WeakPolarHBondContact CE1-OD1 3.47Å; Y50-D61 VanDerWaalsContact CZ-OD1 3.31Å; Y50-D61 PolarHBondContact OH-OD1 3.16Å; W51-D61 HydrophobicContact CH2-CB 3.85Å; W51-D61 WeakPolarHBondContact CH2-OD2 3.45Å; W51-D61 HydrophobicContact CZ3-CB 3.63Å; L54-D61 HydrophobicContact CD1-CB 4.24Å
62F95.7Very high95.1Very high63 Ų6360.7 Ų60.728%0.27632%0.322SS..  trans-118.4-14.6-174.967.2-92.1000113.5I10 A35 A38 Y50 L54 V60I10-F62 HydrophobicContact CD1-CB 3.98Å; I10-F62 HydrophobicContact CD1-CD1 4.32Å; I10-F62 HydrophobicContact CD1-CG 4.17Å; A35-F62 HydrophobicContact CB-CD1 4.31Å; A35-F62 HydrophobicContact CB-CE1 3.69Å; A35-F62 HydrophobicContact CB-CE2 4.06Å; A35-F62 HydrophobicContact CB-CZ 3.56Å; A35-F62 WeakPolarHBondContact O-CZ 3.44Å; A38-F62 HydrophobicContact CB-CE1 4Å; A38-F62 HydrophobicContact CB-CZ 4.34Å; Y50-F62 HydrophobicContact CE2-CE1 4.06Å; Y50-F62 HydrophobicContact CE2-CZ 4.24Å; Y50-F62 PolarHBondContact OH-N 3.02Å; L54-F62 HydrophobicContact CD2-CD1 4.22Å; L54-F62 HydrophobicContact CD2-CE1 4.03Å; V60-F62 PolarHBondContact O-N 3Å
63L95.9Very high94.8Very high24 Ų2457.4 Ų57.413%0.12633%0.326CS..SBendtrans-90.6129.2175.8-67176.3000109.9L42 Y50 E67 I71L42-L63 HydrophobicContact CD2-CD1 3.52Å; Y50-L63 HydrophobicContact CD2-CD1 4.4Å; Y50-L63 HydrophobicContact CE2-CD1 3.78Å; Y50-L63 HydrophobicContact CE2-CG 4.26Å; Y50-L63 PolarHBondContact OH-N 3.28Å; L63-E67 HydrophobicContact CD2-CB 4.38Å; L63-I71 HydrophobicContact CD1-CD1 4.05Å; L63-I71 HydrophobicContact CD2-CD1 4.3Å
64S95.5Very high94.4Very high53 Ų5359.5 Ų59.537%0.37133%0.334SS..  trans-66.6159.2168.466.50000111V66 E67 A68S64-V66 PolarHBondContact O-N 3.22Å; S64-E67 WeakPolarHBondContact CB-OE2 3.49Å; S64-E67 PolarHBondContact N-OE2 2.75Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 VanDerWaalsContact OG-CD 3.25Å; S64-E67 VanDerWaalsContact OG-CG 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.34Å; S64-E67 PolarHBondContact OG-N 2.95Å; S64-E67 PolarHBondContact OG-OE2 2.89Å; S64-A68 PolarHBondContact O-N 3.5Å
65S94.9Very high94Very high87 Ų8760.4 Ų60.461%0.60834%0.343SS*.Hα-helixtrans-57.6-35.517653.90000112.7Q69S65-Q69 WeakPolarHBondContact O-CB 3.23Å; S65-Q69 WeakPolarHBondContact O-CG 3.5Å; S65-Q69 PolarHBondContact O-N 2.87Å
66V94.3Very high93.4Very high104 Ų10461 Ų6163%0.6333%0.33SS*.Hα-helixtrans-68.1-43.3178.2-179.70000111.1S64 Y70S64-V66 PolarHBondContact O-N 3.22Å; V66-Y70 WeakPolarHBondContact O-CB 3.39Å; V66-Y70 PolarHBondContact O-N 3.38Å
67E94.8Very high92.6Very high95 Ų9561.4 Ų61.444%0.44433%0.332SS..Hα-helixtrans-66.5-44176.9-71.7162.5142.500111.2L63 S64 Q69 Y70 I71L63-E67 HydrophobicContact CD2-CB 4.38Å; S64-E67 WeakPolarHBondContact CB-OE2 3.49Å; S64-E67 PolarHBondContact N-OE2 2.75Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 VanDerWaalsContact O-N 3.17Å; S64-E67 VanDerWaalsContact OG-CD 3.25Å; S64-E67 VanDerWaalsContact OG-CG 3.27Å; S64-E67 WeakPolarHBondContact OG-CG 3.34Å; S64-E67 PolarHBondContact OG-N 2.95Å; S64-E67 PolarHBondContact OG-OE2 2.89Å; E67-Q69 VanDerWaalsContact C-N 3.34Å; E67-Q69 PolarHBondContact O-N 3.44Å; E67-Y70 WeakPolarHBondContact O-CB 3.39Å; E67-Y70 PolarHBondContact O-N 3.41Å; E67-I71 WeakPolarHBondContact O-CB 3.46Å; E67-I71 VanDerWaalsContact O-CG1 3.23Å; E67-I71 WeakPolarHBondContact O-CG1 3.1Å; E67-I71 PolarHBondContact O-N 3.38Å
68A94.2Very high90.9Very high20 Ų2066.1 Ų66.117%0.16535%0.347CS..Hα-helixtrans-61.7-43.3178.700000111.9L42 S64 I71 Q72L42-A68 HydrophobicContact CD2-CB 4.06Å; S64-A68 PolarHBondContact O-N 3.5Å; A68-I71 PolarHBondContact O-N 2.87Å; A68-Q72 VanDerWaalsContact O-CG 3.32Å; A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.44Å; A68-Q72 VanDerWaalsContact O-N 3.14Å
69Q94.4Very high88.6Confident127 Ų12771.1 Ų71.159%0.59338%0.377SS*.Hα-helixtrans-64.5-41.3175.1-74.5171.61000112.1S65 E67 Q72 A73S65-Q69 WeakPolarHBondContact O-CB 3.23Å; S65-Q69 WeakPolarHBondContact O-CG 3.5Å; S65-Q69 PolarHBondContact O-N 2.87Å; E67-Q69 VanDerWaalsContact C-N 3.34Å; E67-Q69 PolarHBondContact O-N 3.44Å; Q69-Q72 PolarHBondContact O-N 2.84Å; Q69-A73 VanDerWaalsContact O-CB 3.25Å; Q69-A73 WeakPolarHBondContact O-CB 3.18Å; Q69-A73 PolarHBondContact O-N 3.29Å
70Y93.4Very high86.2Confident49 Ų4976.1 Ų76.119%0.19241%0.411CS..Hα-helixtrans-60-50.6176.6174-94.8000111.6V66 E67 Q72 A73 Q74 F236 A237 Q239V66-Y70 WeakPolarHBondContact O-CB 3.39Å; V66-Y70 PolarHBondContact O-N 3.38Å; E67-Y70 WeakPolarHBondContact O-CB 3.39Å; E67-Y70 PolarHBondContact O-N 3.41Å; Y70-Q72 VanDerWaalsContact C-N 3.25Å; Y70-Q72 PolarHBondContact O-N 2.62Å; Y70-A73 PolarHBondContact O-N 3.48Å; Y70-Q74 HydrophobicContact CD2-CG 3.93Å; Y70-Q74 HydrophobicContact CE1-CG 4.2Å; Y70-Q74 HydrophobicContact CE2-CG 3.47Å; Y70-Q74 VanDerWaalsContact CE2-CG 3.47Å; Y70-Q74 HydrophobicContact CG-CG 4.47Å; Y70-Q74 WeakPolarHBondContact O-CB 3.36Å; Y70-Q74 WeakPolarHBondContact O-CG 3.23Å; Y70-Q74 PolarHBondContact O-N 2.78Å; Y70-F236 AromaticContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CE2 4.26Å; Y70-A237 PolarHBondContact OH-O 3.13Å; Y70-Q239 HydrophobicContact CD2-CG 4.46Å; Y70-Q239 HydrophobicContact CE1-CG 4.37Å; Y70-Q239 HydrophobicContact CE2-CG 3.51Å; Y70-Q239 VanDerWaalsContact CE2-NE2 3.25Å; Y70-Q239 VanDerWaalsContact CZ-CG 3.45Å; Y70-Q239 WeakPolarHBondContact OH-CG 3.35Å
71I93.8Very high83.6Confident11 Ų1180.2 Ų80.26%0.05644%0.438CS..Hα-helixtrans-56-43.7179.8-70.4167.9000110.4L42 L43 L63 E67 A68 A75 F236L42-I71 HydrophobicContact CD2-CB 4.22Å; L42-I71 HydrophobicContact CD2-CD1 4.06Å; L42-I71 HydrophobicContact CD2-CG2 4.01Å; L42-I71 HydrophobicContact CG-CG2 4.45Å; L43-I71 HydrophobicContact CD1-CG2 4.46Å; L43-I71 HydrophobicContact CD2-CG2 3.35Å; L43-I71 HydrophobicContact CG-CG2 3.63Å; L63-I71 HydrophobicContact CD1-CD1 4.05Å; L63-I71 HydrophobicContact CD2-CD1 4.3Å; E67-I71 WeakPolarHBondContact O-CB 3.46Å; E67-I71 VanDerWaalsContact O-CG1 3.23Å; E67-I71 WeakPolarHBondContact O-CG1 3.1Å; E67-I71 PolarHBondContact O-N 3.38Å; A68-I71 PolarHBondContact O-N 2.87Å; I71-A75 WeakPolarHBondContact O-CB 3.22Å; I71-A75 PolarHBondContact O-N 2.66Å; I71-F236 HydrophobicContact CD1-CZ 4.33Å; I71-F236 HydrophobicContact CG1-CD2 4.45Å; I71-F236 HydrophobicContact CG1-CE1 4.2Å; I71-F236 HydrophobicContact CG1-CE2 3.98Å; I71-F236 HydrophobicContact CG1-CZ 3.84Å; I71-F236 HydrophobicContact CG2-CD1 4.11Å; I71-F236 HydrophobicContact CG2-CE1 4.03Å
72Q92.1Very high80.9Confident70 Ų7082 Ų8233%0.32745%0.454SS..Hα-helixtrans-70-42.4178.7-71.6177.8-9.100113.2L42 A68 Q69 Y70 Q74 A75L42-Q72 HydrophobicContact CD1-CG 4.42Å; L42-Q72 HydrophobicContact CG-CG 4.46Å; A68-Q72 VanDerWaalsContact O-CG 3.32Å; A68-Q72 WeakPolarHBondContact O-CG 3.43Å; A68-Q72 PolarHBondContact O-N 3.44Å; A68-Q72 VanDerWaalsContact O-N 3.14Å; Q69-Q72 PolarHBondContact O-N 2.84Å; Y70-Q72 VanDerWaalsContact C-N 3.25Å; Y70-Q72 PolarHBondContact O-N 2.62Å; Q72-Q74 VanDerWaalsContact C-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.03Å; Q72-A75 WeakPolarHBondContact O-CB 3.47Å; Q72-A75 PolarHBondContact O-N 3.48Å
73A90.6Very high78.3Confident78 Ų7886.1 Ų86.165%0.64548%0.479SS*.Hα-helixtrans-68.7-31.2-178.300000112.7Q69 Y70Q69-A73 VanDerWaalsContact O-CB 3.25Å; Q69-A73 WeakPolarHBondContact O-CB 3.18Å; Q69-A73 PolarHBondContact O-N 3.29Å; Y70-A73 PolarHBondContact O-N 3.48Å
74Q88.4Confident75.2Confident68 Ų6891.7 Ų91.732%0.31851%0.514SS..THydrogen-bonded Turntrans-95.13.7179.1-61.1-56.3-44.300113.4Y70 Q72 W76 F236Y70-Q74 HydrophobicContact CD2-CG 3.93Å; Y70-Q74 HydrophobicContact CE1-CG 4.2Å; Y70-Q74 HydrophobicContact CE2-CG 3.47Å; Y70-Q74 VanDerWaalsContact CE2-CG 3.47Å; Y70-Q74 HydrophobicContact CG-CG 4.47Å; Y70-Q74 WeakPolarHBondContact O-CB 3.36Å; Y70-Q74 WeakPolarHBondContact O-CG 3.23Å; Y70-Q74 PolarHBondContact O-N 2.78Å; Q72-Q74 VanDerWaalsContact C-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.03Å; Q74-W76 PolarHBondContact O-N 3.5Å; Q74-F236 HydrophobicContact CB-CB 4.12Å
75A87.1Confident72.8Confident25 Ų2597.8 Ų97.821%0.20754%0.542CS..  trans-70.1125.6-179.900000111L43 I71 Q72 K235L43-A75 HydrophobicContact CD2-CB 3.92Å; I71-A75 WeakPolarHBondContact O-CB 3.22Å; I71-A75 PolarHBondContact O-N 2.66Å; Q72-A75 WeakPolarHBondContact O-CB 3.47Å; Q72-A75 PolarHBondContact O-N 3.48Å; A75-K235 CarbonylContact C-O 3.56Å; A75-K235 WeakPolarHBondContact CA-O 3.43Å
76W84.2Confident69.8Low113 Ų11397.2 Ų97.243%0.42855%0.55SS..EExtended strand (participates in β ladder)trans-137.5155.8175.568.1-79.5000111.4Q74 R78 K235Q74-W76 PolarHBondContact O-N 3.5Å; W76-R78 HydrophobicContact CH2-CG 3.66Å; W76-R78 HydrophobicContact CZ3-CB 4.3Å; W76-R78 HydrophobicContact CZ3-CG 3.5Å; W76-R78 VanDerWaalsContact CZ3-CG 3.5Å; W76-K235 VanDerWaalsContact CD1-O 3.26Å; W76-K235 HydrophobicContact CZ2-CB 4.36Å; W76-K235 HydrophobicContact CZ2-CD 4.33Å; W76-K235 PolarHBondContact N-O 3.37Å; W76-K235 PolarHBondContact O-N 3.11Å
77E78.8Confident66.7Low132 Ų13296 Ų9662%0.61756%0.558SS**EExtended strand (participates in β ladder)trans-103139.3173.7-75.1172.8-167.500109.3R234E77-R234 HydrophobicContact CG-CG 3.92Å; E77-R234 IonicContact OE1-NE 2.77Å
78R58.6Low64.1Low149 Ų14995.7 Ų95.756%0.56257%0.572SS**PPolyproline II helixtrans-68.2132.9160-83.4-174.6179.6155.9-1.3107.4W76 C80 K235W76-R78 HydrophobicContact CH2-CG 3.66Å; W76-R78 HydrophobicContact CZ3-CB 4.3Å; W76-R78 HydrophobicContact CZ3-CG 3.5Å; W76-R78 VanDerWaalsContact CZ3-CG 3.5Å; R78-C80 PolarHBondContact O-N 3.45Å; R78-K235 VanDerWaalsContact NH1-NZ 3.14Å
79P47.2Very low61.2Low119 Ų119103.1 Ų103.177%0.77360%0.603SS**PPolyproline II helixtrans-56.5119.1158.4-15.328.3000106.4
80C45.6Very low58.4Low107 Ų107103.8 Ų103.872%0.72362%0.616SS**PPolyproline II helixtrans-51.1134.9158.7-69.10000106.3R78R78-C80 PolarHBondContact O-N 3.45Å
81P40Very low55.3Low107 Ų107104.7 Ų104.770%0.69564%0.64SS**PPolyproline II helixtrans-50.9133.6162.523.6-29.8000105.9D83P81-D83 PolarHBondContact O-N 3.25Å
82P39.9Very low52.7Low120 Ų120110.5 Ų110.578%0.77968%0.679SS**  trans-56.5113.3178.421.6-29.4000106.2T84P82-T84 PolarHBondContact O-N 2.94Å
83D40.9Very low50.3Low150 Ų150116.8 Ų116.880%0.80271%0.705SS**  trans-48116.4161.5-78.4-36.1000104.5P81 L85P81-D83 PolarHBondContact O-N 3.25Å; D83-L85 PolarHBondContact O-N 3.02Å
84T31.1Very low47.3Very low141 Ų141116.7 Ų116.787%0.86571%0.711SS**  trans-55.894.4173.730.10000107.1P82 G86P82-T84 PolarHBondContact O-N 2.94Å; T84-G86 PolarHBondContact O-N 3.42Å
85L43.9Very low45Very low182 Ų182120.6 Ų120.695%0.95373%0.734SS**  trans-68.1102169.3-173.472.6000106.3D83D83-L85 PolarHBondContact O-N 3.02Å
86G32.6Very low42.2Very low75 Ų75126.7 Ų126.777%0.77376%0.763SS**  trans-175.585.117700000111.9T84T84-G86 PolarHBondContact O-N 3.42Å
87G29.5Very low40.1Very low78 Ų78127 Ų12780%0.80478%0.783SS**  trans149.293.6164.200000113.2
88A39Very low38Very low88 Ų88124.9 Ų124.973%0.72778%0.782SS**  trans-54.2147164.500000111.4
89E33.9Very low37.4Very low176 Ų176123.2 Ų123.282%0.82279%0.793SS**  178.7148.5119.2-87.8-56.2116.600109.7
90T36Very low36.9Very low142 Ų142125.1 Ų125.187%0.87180%0.796SS**  trans-80141.9-163.2-52.20000113.7
91G28.3Very low36.4Very low68 Ų68128.8 Ų128.870%0.70180%0.803SS**  trans-178.7144.1165.500000114.6
92P39.5Very low37Very low132 Ų132128.9 Ų128.986%0.85781%0.806SS**  trans-100.5156.5-144.937.7-33.9000117
93K41.8Very low37Very low202 Ų202126.4 Ų126.488%0.87880%0.802SS**  trans11118.2158.1-75.9-173.1172.9-178.20118.7
94G26.5Very low37.3Very low76 Ų76124.1 Ų124.178%0.78479%0.794SS**  trans-133.911314600000109D96G94-D96 PolarHBondContact O-N 2.84Å
95L40.1Very low38Very low150 Ų150123 Ų12379%0.78577%0.774SS**  trans-60.8128.6158.3-92.885000106.4
96D28.7Very low38.1Very low154 Ų154122.3 Ų122.382%0.82476%0.764SS**  trans-147.297145.7-87.5-33000109.2G94 S98G94-D96 PolarHBondContact O-N 2.84Å; D96-S98 VanDerWaalsContact C-N 3.32Å; D96-S98 PolarHBondContact O-N 3.46Å
97S40.9Very low38.6Very low120 Ų120122.6 Ų122.684%0.83975%0.752SS**  trans-60.294.8156.1-63.10000108.3
98S33.1Very low39.3Very low86 Ų86125.3 Ų125.360%0.60175%0.753SS**  trans-112.492.2161.566.20000109.2D96 L100D96-S98 VanDerWaalsContact C-N 3.32Å; D96-S98 PolarHBondContact O-N 3.46Å; S98-L100 VanDerWaalsContact C-N 3.27Å; S98-L100 PolarHBondContact O-N 3.31Å
99S46.4Very low39.2Very low115 Ų115125 Ų12580%0.80475%0.75SS**  trans-52.692.1154.651.80000109.3Q101S99-Q101 PolarHBondContact O-N 3.09Å
100L36.8Very low39.6Very low158 Ų158121.6 Ų121.683%0.82775%0.746SS**  trans-86.796.9168.6-77.2168.9000108.7S98S98-L100 VanDerWaalsContact C-N 3.27Å; S98-L100 PolarHBondContact O-N 3.31Å
101Q35.9Very low40Very low184 Ų184123.9 Ų123.986%0.8675%0.747SS**  trans-31.9128159.5-122167.8-2900113.1S99S99-Q101 PolarHBondContact O-N 3.09Å
102S52.8Low40.8Very low109 Ų109123.4 Ų123.476%0.76274%0.742SS**  trans43.978.8147.2-169.10000116.9
103G40.1Very low41Very low69 Ų69122.6 Ų122.671%0.71174%0.74SS**  trans-84.9103.9156.600000109.5Y105G103-Y105 PolarHBondContact O-N 3.48Å
104T45.6Very low41.3Very low101 Ų101119.8 Ų119.862%0.6273%0.73SS**  trans-49.4130.1168.2-26.90000108.9F106T104-F106 VanDerWaalsContact O-CD2 3.22Å; T104-F106 WeakPolarHBondContact O-CD2 3.3Å; T104-F106 PolarHBondContact O-N 3.48Å
105Y46.9Very low42.6Very low117 Ų117117.9 Ų117.946%0.45970%0.703SS.*  trans-65.4118-178.3175.1-102.2000110.2G103 P107G103-Y105 PolarHBondContact O-N 3.48Å; Y105-P107 HydrophobicContact CD1-CG 4.29Å; Y105-P107 HydrophobicContact CE1-CB 4.05Å; Y105-P107 HydrophobicContact CE1-CG 3.75Å
106F44.9Very low43.3Very low168 Ų168114.9 Ų114.974%0.73770%0.701SS**  trans-104.4116.3164.8-68.4-84.9000107.1T104 V108T104-F106 VanDerWaalsContact O-CD2 3.22Å; T104-F106 WeakPolarHBondContact O-CD2 3.3Å; T104-F106 PolarHBondContact O-N 3.48Å; F106-V108 PolarHBondContact O-N 2.91Å; F106-V108 VanDerWaalsContact O-N 3.16Å
107P43.1Very low44.5Very low81 Ų81109.5 Ų109.553%0.52667%0.671SS.*  trans-58.1124.1169.7-6.716.3000107.7Y105 A109Y105-P107 HydrophobicContact CD1-CG 4.29Å; Y105-P107 HydrophobicContact CE1-CB 4.05Å; Y105-P107 HydrophobicContact CE1-CG 3.75Å; P107-A109 PolarHBondContact O-N 3.46Å
108V44.8Very low45.2Very low136 Ų136104.8 Ų104.882%0.82464%0.637SS**  trans-65.7109.11741780000106.6F106 S110F106-V108 PolarHBondContact O-N 2.91Å; F106-V108 VanDerWaalsContact O-N 3.16Å; V108-S110 PolarHBondContact O-N 3.17Å
109A36.7Very low46Very low80 Ų80108.5 Ų108.566%0.66164%0.644SS**  trans-57111.4168.700000107.4P107 E111P107-A109 PolarHBondContact O-N 3.46Å; A109-E111 PolarHBondContact O-N 2.94Å
110S42.7Very low46.3Very low105 Ų105105.1 Ų105.173%0.73462%0.621SS**  trans-7696.9175.7-168.40000107.3V108 G112V108-S110 PolarHBondContact O-N 3.17Å; S110-G112 PolarHBondContact O-N 3.28Å
111E44.2Very low47.6Very low190 Ų19098.2 Ų98.289%0.88858%0.584SS**  trans-66.578.2169.5-67.5-101.914300109A109A109-E111 PolarHBondContact O-N 2.94Å
112G44.8Very low48.6Very low59 Ų5992.6 Ų92.661%0.60857%0.569SS**  trans-83.2136.616700000109.3S110 E114S110-G112 PolarHBondContact O-N 3.28Å; G112-E114 PolarHBondContact O-N 3.09Å; G112-E114 VanDerWaalsContact O-N 3.12Å
113S44.8Very low48.8Very low115 Ų11591.4 Ų91.480%0.80456%0.56SS**  trans-54.8119.2170.756.30000109.4P115S113-P115 VanDerWaalsContact O-CD 3.23Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
114E47.3Very low50.1Low142 Ų14289.6 Ų89.666%0.66454%0.539SS*.  trans-55.4113.8-178.9-157.8176172.200108.9G112 A116 A291G112-E114 PolarHBondContact O-N 3.09Å; G112-E114 VanDerWaalsContact O-N 3.12Å; E114-A116 PolarHBondContact O-N 3.45Å; E114-A116 VanDerWaalsContact O-N 3.09Å; E114-A291 HydrophobicContact CG-CB 3.97Å
115P54.9Low51.7Low36 Ų3691.3 Ų91.323%0.23454%0.54CS..  trans-52.4123.1169.7-18.227.7000106.2S113 L117 A291S113-P115 VanDerWaalsContact O-CD 3.23Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.34Å; P115-A291 WeakPolarHBondContact CD-O 3.4Å; P115-A291 WeakPolarHBondContact CG-O 3.45Å
116A53.7Low53.6Low88 Ų8887.5 Ų87.573%0.72753%0.526SS*.  trans-53.899.9-177.500000109.2E114 L118E114-A116 PolarHBondContact O-N 3.45Å; E114-A116 VanDerWaalsContact O-N 3.09Å; A116-L118 PolarHBondContact O-N 3.32Å
117L54.2Low55.7Low40 Ų4081.5 Ų81.521%0.20950%0.504CS..  trans-53.8129.7166.1-87.7167.9000105.3P115 H119 R287 Y290P115-L117 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.34Å; L117-H119 PolarHBondContact O-N 3.15Å; L117-H119 VanDerWaalsContact O-N 3.1Å; L117-R287 HydrophobicContact CD1-CB 3.97Å; L117-R287 HydrophobicContact CD1-CG 3.94Å; L117-R287 HydrophobicContact CD2-CG 4.31Å; L117-Y290 HydrophobicContact CD2-CD1 3.23Å; L117-Y290 HydrophobicContact CD2-CE1 3.79Å; L117-Y290 HydrophobicContact CD2-CG 3.74Å; L117-Y290 HydrophobicContact CG-CD1 3.89Å; L117-Y290 HydrophobicContact CG-CE1 4.36Å
118L56.6Low57.9Low21 Ų2177.8 Ų77.811%0.1148%0.479CS..  trans-57.8126.5-175.9-67.5158.4000109.4A116 S120 W121 A122 P302A116-L118 PolarHBondContact O-N 3.32Å; L118-S120 PolarHBondContact O-N 2.85Å; L118-W121 HydrophobicContact CB-CD2 4.43Å; L118-W121 HydrophobicContact CB-CG 4.39Å; L118-W121 HydrophobicContact CD1-CD2 3.88Å; L118-W121 HydrophobicContact CD1-CE3 4.19Å; L118-W121 HydrophobicContact CD1-CG 4.45Å; L118-W121 HydrophobicContact CD1-CH2 4Å; L118-W121 HydrophobicContact CD1-CZ2 3.72Å; L118-W121 HydrophobicContact CD1-CZ3 4.24Å; L118-W121 PolarHBondContact O-N 3.23Å; L118-A122 PolarHBondContact O-N 2.91Å; L118-P302 HydrophobicContact CD1-CB 3.28Å; L118-P302 VanDerWaalsContact CD1-CD 3.46Å; L118-P302 HydrophobicContact CD1-CG 3.36Å; L118-P302 WeakPolarHBondContact CD1-O 3.4Å; L118-P302 VanDerWaalsContact CD2-O 3.29Å; L118-P302 WeakPolarHBondContact CD2-O 3.37Å; L118-P302 HydrophobicContact CG-CG 4.48Å
119H48.3Very low60Low165 Ų16575.2 Ų75.276%0.76446%0.461SS*.Hα-helixtrans-52-25.6177-15066.3000112.1L117 S123L117-H119 PolarHBondContact O-N 3.15Å; L117-H119 VanDerWaalsContact O-N 3.1Å; H119-S123 WeakPolarHBondContact O-CB 3.22Å; H119-S123 PolarHBondContact O-N 3.12Å; H119-S123 PolarHBondContact O-OG 2.88Å
120S53.8Low62.6Low44 Ų4479 Ų7931%0.30846%0.462SS..Hα-helixtrans-74-28.1176.255.20000115.5L118 A124L118-S120 PolarHBondContact O-N 2.85Å; S120-A124 WeakPolarHBondContact O-CB 3.44Å; S120-A124 PolarHBondContact O-N 3.38Å
121W63.5Low64.9Low12 Ų1277.1 Ų77.15%0.04544%0.444CS..Hα-helixtrans-84.8-38.3178.7-67.6-9.9000111.9L118 S123 A124 C190 F286 Y290 P302L118-W121 HydrophobicContact CB-CD2 4.43Å; L118-W121 HydrophobicContact CB-CG 4.39Å; L118-W121 HydrophobicContact CD1-CD2 3.88Å; L118-W121 HydrophobicContact CD1-CE3 4.19Å; L118-W121 HydrophobicContact CD1-CG 4.45Å; L118-W121 HydrophobicContact CD1-CH2 4Å; L118-W121 HydrophobicContact CD1-CZ2 3.72Å; L118-W121 HydrophobicContact CD1-CZ3 4.24Å; L118-W121 PolarHBondContact O-N 3.23Å; W121-S123 PolarHBondContact O-N 2.79Å; W121-A124 PolarHBondContact O-N 3.33Å; W121-C190 HydrophobicContact CH2-CB 3.43Å; W121-C190 VanDerWaalsContact CH2-CB 3.43Å; W121-C190 HydrophobicContact CZ2-CB 4.07Å; W121-C190 HydrophobicContact CZ3-CB 4.16Å; W121-F286 AromaticContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CZ 4.12Å; W121-F286 HydrophobicContact CH2-CZ 4.45Å; W121-F286 HydrophobicContact CZ3-CE1 4Å; W121-F286 AromaticContact CZ3-CZ 3.66Å; W121-F286 HydrophobicContact CZ3-CZ 3.66Å; W121-Y290 HydrophobicContact CH2-CE2 4.14Å; W121-Y290 HydrophobicContact CZ3-CD2 4.07Å; W121-Y290 AromaticContact CZ3-CE2 3.65Å; W121-Y290 HydrophobicContact CZ3-CE2 3.65Å; W121-P302 HydrophobicContact CH2-CB 4.45Å; W121-P302 HydrophobicContact CH2-CG 3.88Å; W121-P302 HydrophobicContact CZ2-CB 3.86Å; W121-P302 HydrophobicContact CZ2-CG 3.79Å
122A56.6Low67.2Low66 Ų6677.2 Ų77.255%0.54544%0.441SS..Hα-helixtrans-64.2-32.6172.500000112L118L118-A122 PolarHBondContact O-N 2.91Å
123S57Low69.7Low84 Ų8477.5 Ų77.559%0.58743%0.434SS*.THydrogen-bonded Turntrans-95.71.5-179.8-48.80000114.3H119 W121H119-S123 WeakPolarHBondContact O-CB 3.22Å; H119-S123 PolarHBondContact O-N 3.12Å; H119-S123 PolarHBondContact O-OG 2.88Å; W121-S123 PolarHBondContact O-N 2.79Å
124A68.9Low72.1Confident32 Ų3274.5 Ų74.526%0.26441%0.413SS..SBendtrans-64.4141.3177.700000109.9S120 W121 K126S120-A124 WeakPolarHBondContact O-CB 3.44Å; S120-A124 PolarHBondContact O-N 3.38Å; W121-A124 PolarHBondContact O-N 3.33Å; A124-K126 PolarHBondContact O-N 3.11Å
125E78.4Confident74.5Confident136 Ų13671.1 Ų71.164%0.63641%0.409SS*.  trans-58.7132.2167.3-171.5173.7-173.200107.9P127 K130E125-P127 VanDerWaalsContact O-CD 3.24Å; E125-P127 WeakPolarHBondContact O-CD 3.41Å; E125-K130 IonicContact OE1-NZ 2.67Å; E125-K130 PolarHBondContact OE1-NZ 2.89Å
126K86.8Confident76.5Confident37 Ų3772.2 Ų72.216%0.16142%0.415CS..  trans-108.789.8-178.4-73170.8171.4-160.20109A124 Y128 L129 D283A124-K126 PolarHBondContact O-N 3.11Å; K126-Y128 HydrophobicContact CB-CD1 4.05Å; K126-Y128 HydrophobicContact CB-CE1 3.68Å; K126-Y128 HydrophobicContact CD-CE1 3.95Å; K126-Y128 WeakPolarHBondContact CD-OH 3.32Å; K126-Y128 HydrophobicContact CG-CE1 3.77Å; K126-Y128 PolarHBondContact O-N 3.3Å; K126-Y128 VanDerWaalsContact O-N 3.17Å; K126-L129 HydrophobicContact CB-CD1 3.89Å; K126-L129 HydrophobicContact CB-CG 4.1Å; K126-L129 HydrophobicContact CD-CD1 4.43Å; K126-L129 PolarHBondContact O-N 3.23Å; K126-L129 VanDerWaalsContact O-N 3.15Å; K126-D283 IonicContact NZ-OD2 2.73Å; K126-D283 PolarHBondContact NZ-OD2 3.41Å
127P88.6Confident78.5Confident43 Ų4371.6 Ų71.628%0.27940%0.402SS..G310 helixtrans-56.7-33.1-176.7-25.734.6000112.9E125 L129 K130 D131 W249E125-P127 VanDerWaalsContact O-CD 3.24Å; E125-P127 WeakPolarHBondContact O-CD 3.41Å; P127-L129 PolarHBondContact O-N 3.34Å; P127-K130 PolarHBondContact O-N 3.05Å; P127-D131 PolarHBondContact O-N 3.03Å; P127-W249 WeakPolarHBondContact CD-O 3.38Å
128Y89.5Confident80.4Confident2 Ų271.1 Ų71.11%0.00840%0.398CS..G310 helixtrans-57.2-24.3-179.772.9-110.5000114.2K126 K130 W249 G276 Q277 V279 E280 D283K126-Y128 HydrophobicContact CB-CD1 4.05Å; K126-Y128 HydrophobicContact CB-CE1 3.68Å; K126-Y128 HydrophobicContact CD-CE1 3.95Å; K126-Y128 WeakPolarHBondContact CD-OH 3.32Å; K126-Y128 HydrophobicContact CG-CE1 3.77Å; K126-Y128 PolarHBondContact O-N 3.3Å; K126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-K130 PolarHBondContact O-N 2.69Å; Y128-W249 WeakPolarHBondContact CB-O 3.35Å; Y128-W249 HydrophobicContact CD1-CB 4Å; Y128-W249 WeakPolarHBondContact CD1-O 3.45Å; Y128-W249 HydrophobicContact CE1-CB 4.29Å; Y128-W249 HydrophobicContact CE1-CE3 4.39Å; Y128-W249 PolarHBondContact N-O 3.2Å; Y128-G276 WeakPolarHBondContact CB-O 3.26Å; Y128-G276 CarbonylContact O-C 3.59Å; Y128-G276 WeakPolarHBondContact O-CA 3.41Å; Y128-Q277 PolarHBondContact O-N 2.78Å; Y128-V279 HydrophobicContact CD1-CB 3.98Å; Y128-V279 HydrophobicContact CD1-CG1 3.56Å; Y128-V279 HydrophobicContact CD2-CB 4.07Å; Y128-V279 HydrophobicContact CD2-CG1 4.48Å; Y128-V279 HydrophobicContact CE1-CG1 4.02Å; Y128-V279 HydrophobicContact CG-CB 3.7Å; Y128-V279 HydrophobicContact CG-CG1 3.84Å; Y128-V279 HydrophobicContact CG-CG2 4.42Å; Y128-E280 HydrophobicContact CE2-CB 3.76Å; Y128-E280 HydrophobicContact CE2-CG 4.36Å; Y128-D283 PolarHBondContact OH-OD2 2.83Å
129L89.7Confident82.1Confident83 Ų8375.9 Ų75.944%0.43542%0.418SS..G310 helixtrans-67.9-25.6178.4-69.5173.9000112.8K126 P127K126-L129 HydrophobicContact CB-CD1 3.89Å; K126-L129 HydrophobicContact CB-CG 4.1Å; K126-L129 HydrophobicContact CD-CD1 4.43Å; K126-L129 PolarHBondContact O-N 3.23Å; K126-L129 VanDerWaalsContact O-N 3.15Å; P127-L129 PolarHBondContact O-N 3.34Å
130K90Very high83.9Confident160 Ų16069.9 Ų69.970%0.69639%0.39SS*.THydrogen-bonded Turntrans-95.5-25.3-178.6-61.3173.1-177169.30112.3E125 P127 Y128E125-K130 IonicContact OE1-NZ 2.67Å; E125-K130 PolarHBondContact OE1-NZ 2.89Å; P127-K130 PolarHBondContact O-N 3.05Å; Y128-K130 PolarHBondContact O-N 2.69Å
131D91.4Very high85Confident65 Ų6570.9 Ų70.935%0.34840%0.395SS..SBendtrans-81.1148.1-174-75.7-11.9000112.5P127 S133 G276P127-D131 PolarHBondContact O-N 3.03Å; D131-S133 PolarHBondContact O-N 3.28Å; D131-G276 VanDerWaalsContact O-CA 3.22Å; D131-G276 WeakPolarHBondContact O-CA 3.4Å
132K93Very high84.8Confident191 Ų19177.8 Ų77.883%0.8343%0.433SS*.PPolyproline II helixtrans-64.7133.1175.5-172176.7-180178.50110.6S134 T275K132-S134 PolarHBondContact O-N 3.42Å; K132-T275 PolarHBondContact O-OG1 2.98Å
133S96.2Very high85Confident66 Ų6683.3 Ų83.346%0.46244%0.444SS..PPolyproline II helixtrans-64.6130.5175.7-171.20000111.3D131 T275 A278D131-S133 PolarHBondContact O-N 3.28Å; S133-T275 VanDerWaalsContact CA-O 3.29Å; S133-T275 WeakPolarHBondContact CA-O 3.45Å; S133-A278 WeakPolarHBondContact OG-CB 3.32Å
134S96.8Very high84.8Confident52 Ų5285.9 Ų85.936%0.36445%0.447SS..EExtended strand (participates in β ladder)trans-147150.6172.982.60000111.4K132 F274 T275K132-S134 PolarHBondContact O-N 3.42Å; S134-F274 WeakPolarHBondContact O-CA 3.46Å; S134-T275 PolarHBondContact N-O 3.1Å; S134-T275 PolarHBondContact N-OG1 3.14Å; S134-T275 PolarHBondContact O-N 3.31Å; S134-T275 PolarHBondContact OG-OG1 3.37Å
135A97.7Very high84.4Confident70 Ų7088 Ų8858%0.57945%0.454SS*.EExtended strand (participates in β ladder)trans-129.1131.217400000109.2K273 F274A135-K273 CarbonylContact C-O 3.57Å; A135-K273 VanDerWaalsContact CA-O 3.31Å; A135-K273 WeakPolarHBondContact CA-O 3.23Å; A135-F274 HydrophobicContact CB-CD1 3.82Å; A135-F274 HydrophobicContact CB-CE1 3.82Å
136T96.3Very high84.5Confident60 Ų6084.3 Ų84.337%0.36844%0.438SS..EExtended strand (participates in β ladder)trans-130.9130.5177.2-56.80000109.5Y138 S272 K273T136-Y138 HydrophobicContact CG2-CE1 4.19Å; T136-Y138 HydrophobicContact CG2-CE2 3.95Å; T136-S272 CarbonylContact O-C 3.05Å; T136-S272 WeakPolarHBondContact O-CA 3.29Å; T136-K273 PolarHBondContact N-O 2.97Å; T136-K273 PolarHBondContact O-N 3.41Å
137V96.2Very high84.8Confident74 Ų7482.6 Ų82.645%0.44843%0.431SS..EExtended strand (participates in β ladder)trans-105.7134.9179.7-1750000110.1F139 I270 L271V137-F139 HydrophobicContact CB-CE2 4.4Å; V137-F139 HydrophobicContact CG1-CD2 4.29Å; V137-F139 HydrophobicContact CG1-CE1 4.3Å; V137-F139 HydrophobicContact CG1-CE2 3.68Å; V137-F139 HydrophobicContact CG1-CZ 3.68Å; V137-I270 HydrophobicContact CG1-CD1 3.84Å; V137-I270 HydrophobicContact CG1-CG1 3.9Å; V137-L271 CarbonylContact C-O 3.57Å
138Y94Very high85Confident30 Ų3081.6 Ų81.612%0.11842%0.421CS..EExtended strand (participates in β ladder)trans-115.6127.7177.2-56.4-86.6000109T136 L150 L271 K273T136-Y138 HydrophobicContact CG2-CE1 4.19Å; T136-Y138 HydrophobicContact CG2-CE2 3.95Å; Y138-L150 HydrophobicContact CD1-CD1 3.62Å; Y138-L150 HydrophobicContact CD2-CD1 3.98Å; Y138-L150 HydrophobicContact CE1-CD1 4.16Å; Y138-L150 HydrophobicContact CE2-CD1 4.48Å; Y138-L150 HydrophobicContact CG-CD1 3.51Å; Y138-L271 PolarHBondContact N-O 2.62Å; Y138-L271 PolarHBondContact O-N 3.34Å; Y138-K273 HydrophobicContact CE2-CB 3.77Å
139F92.4Very high85.2Confident122 Ų12285.1 Ų85.154%0.53544%0.44SS..EExtended strand (participates in β ladder)trans-108.5141170.4-62.1-81.7000108.7V137 T141 I270V137-F139 HydrophobicContact CB-CE2 4.4Å; V137-F139 HydrophobicContact CG1-CD2 4.29Å; V137-F139 HydrophobicContact CG1-CE1 4.3Å; V137-F139 HydrophobicContact CG1-CE2 3.68Å; V137-F139 HydrophobicContact CG1-CZ 3.68Å; F139-T141 PolarHBondContact O-N 2.86Å; F139-I270 HydrophobicContact CD1-CD1 4.14Å; F139-I270 HydrophobicContact CD1-CG1 4.07Å; F139-I270 HydrophobicContact CE1-CD1 3.46Å; F139-I270 VanDerWaalsContact CE1-CD1 3.46Å; F139-I270 HydrophobicContact CE1-CG1 3.89Å; F139-I270 HydrophobicContact CZ-CD1 4Å
140Q85.4Confident85.4Confident38 Ų3881.6 Ų81.618%0.17842%0.422CS..  trans-63119.5173.7-170.9166.6-23.400109.9I147 H267 R268 N269Q140-I147 HydrophobicContact CB-CG1 3.92Å; Q140-I147 HydrophobicContact CG-CG1 4.5Å; Q140-H267 PolarHBondContact NE2-O 3.32Å; Q140-H267 PolarHBondContact OE1-O 3.38Å; Q140-H267 VanDerWaalsContact OE1-O 3.05Å; Q140-R268 HydrophobicContact CB-CG 4.13Å; Q140-R268 PolarHBondContact O-NH1 3.17Å; Q140-R268 PolarHBondContact O-NH2 3.48Å; Q140-N269 PolarHBondContact N-O 2.93Å
141T77.3Confident85.8Confident66 Ų6674 Ų7441%0.40539%0.389SS..  trans-127.7153.8173.381.60000110.4F139 K143 H144F139-T141 PolarHBondContact O-N 2.86Å; T141-K143 PolarHBondContact O-N 3.12Å; T141-K143 VanDerWaalsContact O-N 3.07Å; T141-H144 PolarHBondContact OG1-N 2.83Å; T141-H144 PolarHBondContact OG1-O 3.06Å
142D59.6Low86.1Confident157 Ų15773.9 Ų73.984%0.8438%0.384SS*.SBendtrans-68.8-9.2-170.4-51.2-26.2000114.1
143K60.8Low86.2Confident182 Ų18268.6 Ų68.679%0.79136%0.359SS*.SBendtrans-125.5-34-171.2-63.2-176.9-179.8-179.30114.1T141T141-K143 PolarHBondContact O-N 3.12Å; T141-K143 VanDerWaalsContact O-N 3.07Å
144H51.7Low86.3Confident138 Ų13865.5 Ų65.564%0.63934%0.337SS*.SBendtrans-144140.2-177.9-59.2-60.9000110.8T141T141-H144 PolarHBondContact OG1-N 2.83Å; T141-H144 PolarHBondContact OG1-O 3.06Å
145N59.9Low86.4Confident77 Ų7763 Ų6341%0.41232%0.32SS..  trans74.565.5-178.5-45.1-53.8000115I147N145-I147 PolarHBondContact O-N 3.04Å
146N81.4Confident86.4Confident58 Ų5862.3 Ų62.331%0.3131%0.308SS..  trans-65.3116.6161.1-1780.2000108.4R148 D149 L150N146-R148 PolarHBondContact O-N 3.03Å; N146-R148 VanDerWaalsContact OD1-CB 3.24Å; N146-R148 WeakPolarHBondContact OD1-CB 3.19Å; N146-R148 PolarHBondContact OD1-N 2.77Å; N146-D149 HydrophobicContact CB-CB 4.03Å; N146-D149 WeakPolarHBondContact CB-OD2 3.41Å; N146-D149 PolarHBondContact ND2-OD1 3.2Å; N146-D149 VanDerWaalsContact ND2-OD1 3.08Å; N146-D149 WeakPolarHBondContact O-CB 3.44Å; N146-D149 PolarHBondContact O-N 3.14Å; N146-L150 PolarHBondContact O-N 3.12Å; N146-L150 VanDerWaalsContact O-N 3.13Å
147I92.5Very high86.4Confident0 Ų065.5 Ų65.50%031%0.313CS..Hα-helixtrans-55.7-37.5179.4-60.7-68000110.4Q140 N145 D149 L150 V151 Y257 N269 L271Q140-I147 HydrophobicContact CB-CG1 3.92Å; Q140-I147 HydrophobicContact CG-CG1 4.5Å; N145-I147 PolarHBondContact O-N 3.04Å; I147-D149 PolarHBondContact O-N 3.11Å; I147-L150 PolarHBondContact O-N 3.31Å; I147-V151 WeakPolarHBondContact O-CG2 3.35Å; I147-V151 PolarHBondContact O-N 2.85Å; I147-V151 VanDerWaalsContact O-N 3.09Å; I147-Y257 HydrophobicContact CB-CD2 4.43Å; I147-Y257 HydrophobicContact CG2-CD2 3.7Å; I147-Y257 HydrophobicContact CG2-CG 4.04Å; I147-N269 HydrophobicContact CB-CB 4.38Å; I147-N269 HydrophobicContact CG1-CB 4.29Å; I147-N269 HydrophobicContact CG2-CB 4.01Å; I147-L271 HydrophobicContact CD1-CB 3.71Å; I147-L271 HydrophobicContact CG2-CB 4.05Å; I147-L271 HydrophobicContact CG2-CD2 4.28Å
148R93.8Very high86.4Confident23 Ų2362.1 Ų62.19%0.08729%0.293CS..Hα-helixtrans-58.5-46.8173.8-173.1176.6-157.8-144.1-4.8111.6N146 L150 V151 R152 D171 E173 Y257 H265N146-R148 PolarHBondContact O-N 3.03Å; N146-R148 VanDerWaalsContact OD1-CB 3.24Å; N146-R148 WeakPolarHBondContact OD1-CB 3.19Å; N146-R148 PolarHBondContact OD1-N 2.77Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.63Å; R148-V151 PolarHBondContact O-N 3.04Å; R148-R152 HydrophobicContact CG-CG 4.45Å; R148-R152 WeakPolarHBondContact O-CG 3.27Å; R148-R152 PolarHBondContact O-N 3.25Å; R148-D171 IonicContact CZ-OD2 3.68Å; R148-D171 IonicContact NE-OD2 2.78Å; R148-D171 IonicContact NH2-OD1 3.86Å; R148-D171 IonicContact NH2-OD2 3.64Å; R148-D171 PolarHBondContact NH2-OD2 3.38Å; R148-D171 VanDerWaalsContact NH2-OD2 3.13Å; R148-E173 IonicContact CZ-OE2 3.04Å; R148-E173 VanDerWaalsContact CZ-OE2 3.26Å; R148-E173 IonicContact NH1-OE2 2.62Å; R148-E173 PolarHBondContact NH1-OE2 3.37Å; R148-E173 VanDerWaalsContact NH2-CD 3.35Å; R148-E173 IonicContact NH2-OE2 2.91Å; R148-E173 PolarHBondContact NH2-OE2 2.85Å; R148-Y257 HydrophobicContact CB-CE2 4.19Å; R148-Y257 WeakPolarHBondContact CG-OH 3.43Å; R148-H265 VanDerWaalsContact CZ-CE1 3.48Å; R148-H265 PolarHBondContact NH1-CE1 3.26Å; R148-H265 PolarHBondContact NH1-NE2 2.99Å; R148-H265 VanDerWaalsContact NH1-NE2 3.15Å
149D92.9Very high86.5Confident75 Ų7564.6 Ų64.640%0.40131%0.314SS..Hα-helixtrans-65-35-179.3-62.8-6.8000111.8N146 I147 R153N146-D149 HydrophobicContact CB-CB 4.03Å; N146-D149 WeakPolarHBondContact CB-OD2 3.41Å; N146-D149 PolarHBondContact ND2-OD1 3.2Å; N146-D149 VanDerWaalsContact ND2-OD1 3.08Å; N146-D149 WeakPolarHBondContact O-CB 3.44Å; N146-D149 PolarHBondContact O-N 3.14Å; I147-D149 PolarHBondContact O-N 3.11Å; D149-R153 WeakPolarHBondContact O-CB 3.47Å; D149-R153 PolarHBondContact O-N 2.78Å
150L94.9Very high86.5Confident9 Ų965.5 Ų65.55%0.04732%0.32CS..Hα-helixtrans-65.6-43.5175.4-67.9173.7000111.5Y138 N146 I147 R148 C154 L271 F335Y138-L150 HydrophobicContact CD1-CD1 3.62Å; Y138-L150 HydrophobicContact CD2-CD1 3.98Å; Y138-L150 HydrophobicContact CE1-CD1 4.16Å; Y138-L150 HydrophobicContact CE2-CD1 4.48Å; Y138-L150 HydrophobicContact CG-CD1 3.51Å; N146-L150 PolarHBondContact O-N 3.12Å; N146-L150 VanDerWaalsContact O-N 3.13Å; I147-L150 PolarHBondContact O-N 3.31Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.63Å; L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 2.87Å; L150-L271 HydrophobicContact CB-CD2 3.86Å; L150-L271 HydrophobicContact CD1-CD2 4.14Å; L150-F335 HydrophobicContact CB-CE1 4.41Å; L150-F335 HydrophobicContact CD2-CD1 3.4Å; L150-F335 HydrophobicContact CD2-CE1 3.74Å; L150-F335 HydrophobicContact CD2-CG 4.36Å
151V97.4Very high86.9Confident2 Ų264.3 Ų64.31%0.01232%0.315CS..Hα-helixtrans-62.9-51175.8169.40000110.7I147 R148 R153 C154 I155 I174 I245 Y257 F259 L271I147-V151 WeakPolarHBondContact O-CG2 3.35Å; I147-V151 PolarHBondContact O-N 2.85Å; I147-V151 VanDerWaalsContact O-N 3.09Å; R148-V151 PolarHBondContact O-N 3.04Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.9Å; V151-C154 VanDerWaalsContact O-CB 3.23Å; V151-C154 WeakPolarHBondContact O-CB 3.06Å; V151-C154 PolarHBondContact O-N 2.73Å; V151-C154 VanDerWaalsContact O-N 3.13Å; V151-I155 HydrophobicContact CG1-CD1 4.12Å; V151-I155 WeakPolarHBondContact O-CG1 2.75Å; V151-I155 PolarHBondContact O-N 2.9Å; V151-I155 VanDerWaalsContact O-N 3.16Å; V151-I174 HydrophobicContact CG1-CD1 4.32Å; V151-I245 HydrophobicContact CG1-CD1 3.94Å; V151-Y257 HydrophobicContact CG1-CE1 4.4Å; V151-Y257 HydrophobicContact CG2-CD1 4.04Å; V151-Y257 HydrophobicContact CG2-CE1 4.42Å; V151-Y257 HydrophobicContact CG2-CG 4.45Å; V151-F259 HydrophobicContact CG1-CE1 3.66Å; V151-F259 HydrophobicContact CG1-CZ 4.2Å; V151-L271 HydrophobicContact CG2-CD1 4.48Å; V151-L271 HydrophobicContact CG2-CD2 4.27Å
152R97.3Very high87.9Confident62 Ų6261.1 Ų61.123%0.23430%0.296CS..Hα-helixtrans-61-42.1177.6-67.6-169.174.6151.98112.3R148 C154 I155 T156 E173 I174 D177R148-R152 HydrophobicContact CG-CG 4.45Å; R148-R152 WeakPolarHBondContact O-CG 3.27Å; R148-R152 PolarHBondContact O-N 3.25Å; R152-C154 VanDerWaalsContact C-N 3.28Å; R152-C154 PolarHBondContact O-N 2.88Å; R152-I155 PolarHBondContact O-N 3.15Å; R152-T156 WeakPolarHBondContact O-CB 3.46Å; R152-T156 VanDerWaalsContact O-CG2 3.29Å; R152-T156 WeakPolarHBondContact O-CG2 3.41Å; R152-T156 PolarHBondContact O-N 2.94Å; R152-T156 PolarHBondContact O-OG1 2.82Å; R152-E173 IonicContact CZ-OE2 3.95Å; R152-E173 IonicContact NH1-OE2 3.26Å; R152-E173 PolarHBondContact NH1-OE2 3.49Å; R152-I174 HydrophobicContact CG-CD1 3.4Å; R152-I174 VanDerWaalsContact CG-CD1 3.4Å; R152-D177 WeakPolarHBondContact CB-OD2 3.49Å; R152-D177 VanDerWaalsContact CG-OD2 3.31Å; R152-D177 WeakPolarHBondContact CG-OD2 3.44Å; R152-D177 IonicContact CZ-OD1 3.49Å; R152-D177 IonicContact CZ-OD2 2.69Å; R152-D177 IonicContact NE-OD1 2.84Å; R152-D177 IonicContact NE-OD2 3.32Å; R152-D177 PolarHBondContact NE-OD2 3.17Å; R152-D177 IonicContact NH2-OD1 3.95Å; R152-D177 PolarHBondContact NH2-OD1 3.44Å; R152-D177 IonicContact NH2-OD2 3.26Å; R152-D177 PolarHBondContact NH2-OD2 3.12Å
153R96.5Very high89.7Confident80 Ų8053.7 Ų53.730%0.30226%0.257SS..Hα-helixtrans-63.7-33.7176.3-170.8179.3-57174.54.9112.3D149 V151 T156 R157 P334D149-R153 WeakPolarHBondContact O-CB 3.47Å; D149-R153 PolarHBondContact O-N 2.78Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.9Å; R153-T156 VanDerWaalsContact CA-OG1 3.3Å; R153-T156 WeakPolarHBondContact CA-OG1 3.21Å; R153-T156 PolarHBondContact O-OG1 3.3Å; R153-R157 HydrophobicContact CG-CG 4.33Å; R153-R157 VanDerWaalsContact O-CB 3.27Å; R153-R157 WeakPolarHBondContact O-CB 3.4Å; R153-R157 VanDerWaalsContact O-CG 3.24Å; R153-R157 WeakPolarHBondContact O-CG 3.28Å; R153-R157 PolarHBondContact O-N 2.73Å; R153-P334 WeakPolarHBondContact CD-O 3.4Å
154C97.4Very high91.5Very high1 Ų145 Ų451%0.00722%0.219CC..Hα-helixtrans-60.5-57.6172.5-175.90000110.4L150 V151 R152 T156 R157 T158 F251 L253L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 2.87Å; V151-C154 VanDerWaalsContact O-CB 3.23Å; V151-C154 WeakPolarHBondContact O-CB 3.06Å; V151-C154 PolarHBondContact O-N 2.73Å; V151-C154 VanDerWaalsContact O-N 3.13Å; R152-C154 VanDerWaalsContact C-N 3.28Å; R152-C154 PolarHBondContact O-N 2.88Å; C154-T156 VanDerWaalsContact C-N 3.35Å; C154-T156 PolarHBondContact O-N 3.05Å; C154-R157 PolarHBondContact O-N 2.94Å; C154-R157 VanDerWaalsContact O-N 3.14Å; C154-T158 PolarHBondContact O-N 2.86Å; C154-T158 VanDerWaalsContact O-N 3.1Å; C154-T158 PolarHBondContact O-OG1 3.22Å; C154-F251 HydrophobicContact CB-CE2 4.38Å; C154-F251 HydrophobicContact CB-CZ 4.49Å; C154-F251 WeakPolarHBondContact SG-CE2 3.23Å; C154-L253 HydrophobicContact CB-CD1 3.44Å; C154-L253 VanDerWaalsContact CB-CD1 3.44Å
155I98.3Very high93.7Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-61.2-42.5-176.2-60.5168000111.7V151 R152 R157 L162 I174 D177 I178 R185 F259V151-I155 HydrophobicContact CG1-CD1 4.12Å; V151-I155 WeakPolarHBondContact O-CG1 2.75Å; V151-I155 PolarHBondContact O-N 2.9Å; V151-I155 VanDerWaalsContact O-N 3.16Å; R152-I155 PolarHBondContact O-N 3.15Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.4Å; I155-L162 HydrophobicContact CB-CD2 4.42Å; I155-L162 HydrophobicContact CG1-CD2 4.25Å; I155-L162 HydrophobicContact CG2-CD2 3.92Å; I155-I174 HydrophobicContact CD1-CG2 3.7Å; I155-D177 HydrophobicContact CB-CB 4.4Å; I155-D177 HydrophobicContact CG2-CB 3.78Å; I155-I178 HydrophobicContact CD1-CG1 4.41Å; I155-I178 HydrophobicContact CG2-CG1 3.93Å; I155-R185 PolarHBondContact O-NH1 3.25Å; I155-R185 PolarHBondContact O-NH2 3.47Å; I155-F259 HydrophobicContact CD1-CZ 4.34Å
156T97.6Very high95.6Very high55 Ų5535 Ų3534%0.33717%0.169SC..Hα-helixtrans-70.2-24-179.752.10000113.3R152 R153 C154 D177 R185R152-T156 WeakPolarHBondContact O-CB 3.46Å; R152-T156 VanDerWaalsContact O-CG2 3.29Å; R152-T156 WeakPolarHBondContact O-CG2 3.41Å; R152-T156 PolarHBondContact O-N 2.94Å; R152-T156 PolarHBondContact O-OG1 2.82Å; R153-T156 VanDerWaalsContact CA-OG1 3.3Å; R153-T156 WeakPolarHBondContact CA-OG1 3.21Å; R153-T156 PolarHBondContact O-OG1 3.3Å; C154-T156 VanDerWaalsContact C-N 3.35Å; C154-T156 PolarHBondContact O-N 3.05Å; T156-D177 HydrophobicContact CG2-CB 4.33Å; T156-R185 PolarHBondContact O-NH1 3.32Å
157R96.8Very high96.4Very high127 Ų12733.4 Ų33.448%0.47916%0.161SC..Hα-helixtrans-98.1-7.8179.1-68-174179.9-152.93.8114.7R153 C154 I155 S159 P334R153-R157 HydrophobicContact CG-CG 4.33Å; R153-R157 VanDerWaalsContact O-CB 3.27Å; R153-R157 WeakPolarHBondContact O-CB 3.4Å; R153-R157 VanDerWaalsContact O-CG 3.24Å; R153-R157 WeakPolarHBondContact O-CG 3.28Å; R153-R157 PolarHBondContact O-N 2.73Å; C154-R157 PolarHBondContact O-N 2.94Å; C154-R157 VanDerWaalsContact O-N 3.14Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.4Å; R157-S159 PolarHBondContact O-OG 2.78Å; R157-P334 VanDerWaalsContact NH1-C 3.32Å; R157-P334 VanDerWaalsContact NH1-CA 3.31Å; R157-P334 PolarHBondContact NH1-O 2.91Å
158T97.4Very high96.6Very high2 Ų235.6 Ų35.61%0.01218%0.175CC..  trans-59.3138.9175.1-52.80000111.2C154 V161 L162 R185 V187 S247 D248C154-T158 PolarHBondContact O-N 2.86Å; C154-T158 VanDerWaalsContact O-N 3.1Å; C154-T158 PolarHBondContact O-OG1 3.22Å; T158-V161 WeakPolarHBondContact CG2-O 3.46Å; T158-L162 HydrophobicContact CG2-CB 4Å; T158-L162 HydrophobicContact CG2-CD1 4.26Å; T158-R185 PolarHBondContact O-NH1 2.89Å; T158-V187 HydrophobicContact CG2-CG1 3.77Å; T158-S247 WeakPolarHBondContact CB-OG 3.24Å; T158-S247 WeakPolarHBondContact CG2-OG 3.4Å; T158-S247 PolarHBondContact OG1-OG 3.18Å; T158-D248 WeakPolarHBondContact CA-OD2 3.5Å; T158-D248 WeakPolarHBondContact CG2-OD1 3.45Å
159S94.5Very high96.9Very high82 Ų8234.6 Ų34.657%0.57317%0.171SC*.  trans-110.4-33.9-171.1-59.60000114.1R157 D248R157-S159 PolarHBondContact O-OG 2.78Å; S159-D248 VanDerWaalsContact N-CG 3.33Å; S159-D248 PolarHBondContact N-OD1 3.08Å; S159-D248 PolarHBondContact N-OD2 2.88Å
160Q92.4Very high97.1Very high142 Ų14233.2 Ų33.266%0.66417%0.165SC*.SBendtrans-129.3-51.8-170.6-64.3-176.174.500112F188 D248Q160-F188 PolarHBondContact O-N 3.32Å; Q160-D248 PolarHBondContact N-OD1 3.05Å
161V94.9Very high97.3Very high12 Ų1233.1 Ų33.17%0.07317%0.165CC..EExtended strand (participates in β ladder)trans-143.3136.2-172.161.80000111.9T158 V163 F188 D248 W249T158-V161 WeakPolarHBondContact CG2-O 3.46Å; V161-V163 HydrophobicContact CG2-CG2 4.47Å; V161-F188 CarbonylContact C-O 3.45Å; V161-F188 WeakPolarHBondContact CA-O 3.49Å; V161-D248 PolarHBondContact N-OD1 2.9Å; V161-D248 VanDerWaalsContact N-OD1 3.15Å; V161-D248 PolarHBondContact O-N 3.28Å; V161-W249 HydrophobicContact CG1-CG 4.39Å
162L97.6Very high97.3Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-127.5117.1178.8-171.760.9000109.5I155 T158 I164 I178 V187 F188 V189 C190 I245I155-L162 HydrophobicContact CB-CD2 4.42Å; I155-L162 HydrophobicContact CG1-CD2 4.25Å; I155-L162 HydrophobicContact CG2-CD2 3.92Å; T158-L162 HydrophobicContact CG2-CB 4Å; T158-L162 HydrophobicContact CG2-CD1 4.26Å; L162-I164 HydrophobicContact CD2-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CG1 4.49Å; L162-I164 HydrophobicContact CG-CD1 4Å; L162-I164 HydrophobicContact CG-CG1 4.09Å; L162-I178 HydrophobicContact CD2-CG1 4.45Å; L162-V187 HydrophobicContact CB-CG1 4.03Å; L162-F188 PolarHBondContact N-O 3.31Å; L162-V189 HydrophobicContact CB-CB 4.48Å; L162-V189 HydrophobicContact CB-CG1 4.22Å; L162-V189 HydrophobicContact CB-CG2 4.12Å; L162-V189 HydrophobicContact CD2-CG1 4.16Å; L162-V189 HydrophobicContact CD2-CG2 4.34Å; L162-V189 HydrophobicContact CG-CG1 4.36Å; L162-V189 CarbonylContact O-C 3.56Å; L162-V189 VanDerWaalsContact O-CA 3.31Å; L162-V189 WeakPolarHBondContact O-CA 3.46Å; L162-C190 PolarHBondContact O-N 3.14Å; L162-I245 HydrophobicContact CD1-CG2 3.44Å; L162-I245 VanDerWaalsContact CD1-CG2 3.44Å; L162-I245 HydrophobicContact CG-CG2 4.48Å
163V97.9Very high97.3Very high1 Ų136.9 Ų36.91%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-109133173.4171.30000108.7V161 C190 I245 I246 W249 F286V161-V163 HydrophobicContact CG2-CG2 4.47Å; V163-C190 CarbonylContact C-O 3.52Å; V163-C190 WeakPolarHBondContact CA-O 3.47Å; V163-I245 CarbonylContact O-C 3.6Å; V163-I245 VanDerWaalsContact O-CA 3.28Å; V163-I245 WeakPolarHBondContact O-CA 3.49Å; V163-I246 HydrophobicContact CB-CB 4.07Å; V163-I246 HydrophobicContact CB-CG1 4.29Å; V163-I246 HydrophobicContact CG1-CD1 4.34Å; V163-I246 HydrophobicContact CG1-CG1 4.36Å; V163-I246 PolarHBondContact N-O 3.49Å; V163-I246 PolarHBondContact O-N 2.97Å; V163-W249 HydrophobicContact CG2-CH2 4.17Å; V163-W249 HydrophobicContact CG2-CZ2 4.41Å; V163-F286 HydrophobicContact CB-CE2 4.43Å; V163-F286 HydrophobicContact CG1-CB 4.27Å; V163-F286 HydrophobicContact CG1-CD1 3.98Å; V163-F286 HydrophobicContact CG1-CD2 3.17Å; V163-F286 HydrophobicContact CG1-CE1 4.09Å; V163-F286 HydrophobicContact CG1-CE2 3.31Å; V163-F286 HydrophobicContact CG1-CG 3.52Å; V163-F286 HydrophobicContact CG1-CZ 3.77Å; V163-F286 HydrophobicContact CG2-CD1 4.38Å; V163-F286 HydrophobicContact CG2-CE1 3.97Å; V163-F286 HydrophobicContact CG2-CE2 4.35Å; V163-F286 HydrophobicContact CG2-CZ 3.94Å
164I98.7Very high97.4Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-131.9127-178.5-61.6162.7000108.5L162 M166 I178 V189 C190 V191 L192 F244 I245 F259L162-I164 HydrophobicContact CD2-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CG1 4.49Å; L162-I164 HydrophobicContact CG-CD1 4Å; L162-I164 HydrophobicContact CG-CG1 4.09Å; I164-M166 HydrophobicContact CG2-CB 4.13Å; I164-M166 HydrophobicContact CG2-CE 4.17Å; I164-I178 HydrophobicContact CD1-CD1 3.57Å; I164-I178 HydrophobicContact CD1-CG1 4.3Å; I164-V189 HydrophobicContact CD1-CG1 4.29Å; I164-C190 PolarHBondContact N-O 3Å; I164-V191 HydrophobicContact CB-CG1 4.39Å; I164-V191 HydrophobicContact CB-CG2 4.34Å; I164-V191 HydrophobicContact CD1-CG2 4.17Å; I164-V191 HydrophobicContact CG2-CG1 4.3Å; I164-V191 CarbonylContact O-C 3.5Å; I164-V191 WeakPolarHBondContact O-CA 3.3Å; I164-L192 PolarHBondContact O-N 2.66Å; I164-F244 WeakPolarHBondContact CA-O 3.47Å; I164-I245 HydrophobicContact CG1-CG1 4.35Å; I164-I245 HydrophobicContact CG1-CG2 4.19Å; I164-F259 HydrophobicContact CD1-CE2 4.25Å; I164-F259 HydrophobicContact CG2-CE2 3.86Å; I164-F259 HydrophobicContact CG2-CZ 4.21Å
165L98.6Very high97.4Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-106.9126.4162.1-177.966.4000108.5L192 V223 I240 E242 K243 F244 L289L165-L192 WeakPolarHBondContact CA-O 3.4Å; L165-L192 HydrophobicContact CD1-CB 3.6Å; L165-L192 HydrophobicContact CD1-CD1 4.42Å; L165-V223 HydrophobicContact CD1-CG2 4.1Å; L165-I240 HydrophobicContact CD1-CG2 4.05Å; L165-I240 HydrophobicContact CD2-CG2 4.15Å; L165-I240 HydrophobicContact CG-CG2 4.28Å; L165-E242 HydrophobicContact CD2-CB 3.65Å; L165-K243 WeakPolarHBondContact O-CA 3.28Å; L165-F244 HydrophobicContact CB-CD1 4.06Å; L165-F244 HydrophobicContact CB-CD2 4.37Å; L165-F244 HydrophobicContact CB-CE1 3.86Å; L165-F244 HydrophobicContact CB-CE2 4.15Å; L165-F244 HydrophobicContact CB-CG 4.32Å; L165-F244 HydrophobicContact CB-CZ 3.9Å; L165-F244 HydrophobicContact CD2-CD1 3.87Å; L165-F244 HydrophobicContact CD2-CE1 3.32Å; L165-F244 HydrophobicContact CD2-CZ 3.93Å; L165-F244 HydrophobicContact CG-CE1 4.24Å; L165-F244 PolarHBondContact N-O 3.21Å; L165-F244 PolarHBondContact O-N 3.39Å; L165-F244 VanDerWaalsContact O-N 3.14Å; L165-L289 HydrophobicContact CD1-CD1 3.82Å; L165-L289 HydrophobicContact CD2-CD1 3.49Å; L165-L289 VanDerWaalsContact CD2-CD1 3.49Å; L165-L289 HydrophobicContact CG-CD1 4.32Å
166M98.6Very high97.4Very high3 Ų336.1 Ų36.12%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-144.1146.5-173.4-165.454.953.200112.5I164 V168 F169 L192 L193 D194 K243 F259I164-M166 HydrophobicContact CG2-CB 4.13Å; I164-M166 HydrophobicContact CG2-CE 4.17Å; M166-V168 WeakPolarHBondContact CG-O 3.37Å; M166-F169 HydrophobicContact CG-CB 4.43Å; M166-L192 PolarHBondContact N-O 3.18Å; M166-L193 HydrophobicContact CB-CD1 4.2Å; M166-L193 HydrophobicContact CG-CD1 4.45Å; M166-L193 CarbonylContact O-C 3.42Å; M166-L193 WeakPolarHBondContact O-CA 3.41Å; M166-D194 PolarHBondContact O-N 3.25Å; M166-K243 HydrophobicContact SD-CD 4.21Å; M166-K243 HydrophobicContact SD-CG 4Å; M166-F259 HydrophobicContact CE-CD1 3.56Å; M166-F259 HydrophobicContact CE-CD2 3.95Å; M166-F259 HydrophobicContact CE-CE1 3.44Å; M166-F259 VanDerWaalsContact CE-CE1 3.44Å; M166-F259 HydrophobicContact CE-CE2 3.86Å; M166-F259 HydrophobicContact CE-CG 3.82Å; M166-F259 HydrophobicContact CE-CZ 3.61Å; M166-F259 HydrophobicContact CG-CB 4.38Å; M166-F259 HydrophobicContact CG-CD2 4.21Å; M166-F259 HydrophobicContact CG-CG 4.23Å; M166-F259 HydrophobicContact SD-CB 4.37Å; M166-F259 HydrophobicContact SD-CD1 4.09Å; M166-F259 HydrophobicContact SD-CD2 4.45Å; M166-F259 HydrophobicContact SD-CG 4.04Å
167D97.8Very high97.5Very high26 Ų2634 Ų3414%0.13918%0.181CC..SBendtrans-85.2-5417454.6-1000111.8K243 S258D167-K243 WeakPolarHBondContact OD1-CD 3.38Å; D167-K243 IonicContact OD1-NZ 2.73Å; D167-K243 IonicContact OD2-NZ 3.32Å; D167-K243 PolarHBondContact OD2-NZ 3.31Å; D167-S258 VanDerWaalsContact CG-OG 3.23Å; D167-S258 WeakPolarHBondContact OD1-CB 3.46Å; D167-S258 PolarHBondContact OD1-OG 2.84Å; D167-S258 PolarHBondContact OD2-OG 3.26Å
168V98.3Very high97.6Very high46 Ų4628 Ų2828%0.27916%0.159SC..  trans-130.5129.3-178.4-174.60000110M166 T170 F259 T260M166-V168 WeakPolarHBondContact CG-O 3.37Å; V168-T170 HydrophobicContact CG1-CG2 4.16Å; V168-F259 PolarHBondContact O-N 3.19Å; V168-F259 VanDerWaalsContact O-N 3.14Å; V168-T260 HydrophobicContact CB-CG2 3.96Å; V168-T260 HydrophobicContact CG1-CG2 3.65Å
169F98.4Very high97.6Very high1 Ų129.3 Ų29.30%0.00417%0.165CC..BIsolated β-bridgetrans-129.1102.4178.4-163.1170000111.2M166 I174 F175 I178 V191 L193 F201 M204 F259M166-F169 HydrophobicContact CG-CB 4.43Å; F169-I174 HydrophobicContact CE2-CB 4.22Å; F169-I174 HydrophobicContact CE2-CG2 4.15Å; F169-I174 HydrophobicContact CZ-CG2 4.1Å; F169-F175 HydrophobicContact CE1-CD2 4.19Å; F169-F175 HydrophobicContact CE2-CB 3.94Å; F169-F175 HydrophobicContact CE2-CD2 4.46Å; F169-F175 HydrophobicContact CZ-CB 3.93Å; F169-F175 AromaticContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CG 4.38Å; F169-I178 HydrophobicContact CE1-CD1 3.73Å; F169-I178 HydrophobicContact CZ-CD1 3.63Å; F169-V191 HydrophobicContact CD1-CG1 4.38Å; F169-L193 HydrophobicContact CB-CD1 3.96Å; F169-F201 HydrophobicContact CB-CD2 3.83Å; F169-F201 AromaticContact CD1-CD2 3.94Å; F169-F201 HydrophobicContact CD1-CD2 3.94Å; F169-F201 AromaticContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD2-CD2 4.4Å; F169-F201 HydrophobicContact CE1-CE2 4.09Å; F169-F201 AromaticContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CE2 4.02Å; F169-F201 WeakPolarHBondContact O-CA 3.2Å; F169-F201 WeakPolarHBondContact O-CB 3.49Å; F169-M204 HydrophobicContact CD2-CE 4.37Å; F169-M204 HydrophobicContact CE2-CE 4.45Å; F169-F259 WeakPolarHBondContact CA-O 3.45Å; F169-F259 HydrophobicContact CB-CB 4.33Å; F169-F259 AromaticContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD2-CB 3.48Å; F169-F259 VanDerWaalsContact CD2-CB 3.48Å; F169-F259 AromaticContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CG 4.16Å; F169-F259 AromaticContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CE2 4.2Å; F169-F259 HydrophobicContact CE2-CB 3.89Å; F169-F259 AromaticContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CG 4.23Å; F169-F259 HydrophobicContact CG-CB 3.95Å; F169-F259 AromaticContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CG 4.47Å; F169-F259 AromaticContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CE2 4.21Å
170T98.4Very high97.7Very high47 Ų4728.8 Ų28.829%0.28815%0.154SC..  trans-139.3-2.5-179.854.80000114.1V168 V172 L200 M204 F259V168-T170 HydrophobicContact CG1-CG2 4.16Å; T170-V172 PolarHBondContact O-N 2.83Å; T170-L200 HydrophobicContact CG2-CB 3.67Å; T170-L200 HydrophobicContact CG2-CD1 4.49Å; T170-M204 VanDerWaalsContact CA-SD 3.57Å; T170-M204 VanDerWaalsContact O-SD 3.35Å; T170-F259 PolarHBondContact N-O 3.04Å
171D98.2Very high98Very high7 Ų722 Ų224%0.03712%0.122CC..  trans-80106.6174.9-169.9-18.4000111.1R148 E173 I174 F175 F259R148-D171 IonicContact CZ-OD2 3.68Å; R148-D171 IonicContact NE-OD2 2.78Å; R148-D171 IonicContact NH2-OD1 3.86Å; R148-D171 IonicContact NH2-OD2 3.64Å; R148-D171 PolarHBondContact NH2-OD2 3.38Å; R148-D171 VanDerWaalsContact NH2-OD2 3.13Å; D171-E173 PolarHBondContact O-N 3.08Å; D171-E173 WeakPolarHBondContact OD1-CB 3.5Å; D171-E173 PolarHBondContact OD1-N 3.18Å; D171-I174 HydrophobicContact CB-CB 4.36Å; D171-I174 HydrophobicContact CB-CG1 4.04Å; D171-I174 PolarHBondContact O-N 3.25Å; D171-F175 PolarHBondContact O-N 2.69Å; D171-F259 PolarHBondContact N-O 3.34Å
172V98.3Very high98Very high56 Ų5621.4 Ų21.434%0.33912%0.119SC..Hα-helixtrans-58.7-34.6178.4177.10000111.9T170 F175 C176 M204 I208T170-V172 PolarHBondContact O-N 2.83Å; V172-F175 PolarHBondContact O-N 3.09Å; V172-C176 PolarHBondContact O-N 3.47Å; V172-C176 PolarHBondContact O-SG 3.22Å; V172-C176 VanDerWaalsContact O-SG 3.32Å; V172-M204 HydrophobicContact CG2-CG 3.7Å; V172-M204 HydrophobicContact CG2-SD 3.96Å; V172-I208 HydrophobicContact CG1-CD1 4.28Å; V172-I208 HydrophobicContact CG1-CG2 4.07Å; V172-I208 HydrophobicContact CG2-CG2 4.19Å
173E97.1Very high98Very high87 Ų8725 Ų2541%0.40714%0.138SC..Hα-helixtrans-69.9-39-177.4-64.6-171.2177.300112R148 R152 D171 F175 C176 D177R148-E173 IonicContact CZ-OE2 3.04Å; R148-E173 VanDerWaalsContact CZ-OE2 3.26Å; R148-E173 IonicContact NH1-OE2 2.62Å; R148-E173 PolarHBondContact NH1-OE2 3.37Å; R148-E173 VanDerWaalsContact NH2-CD 3.35Å; R148-E173 IonicContact NH2-OE2 2.91Å; R148-E173 PolarHBondContact NH2-OE2 2.85Å; R152-E173 IonicContact CZ-OE2 3.95Å; R152-E173 IonicContact NH1-OE2 3.26Å; R152-E173 PolarHBondContact NH1-OE2 3.49Å; D171-E173 PolarHBondContact O-N 3.08Å; D171-E173 WeakPolarHBondContact OD1-CB 3.5Å; D171-E173 PolarHBondContact OD1-N 3.18Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-C176 WeakPolarHBondContact O-CB 3.46Å; E173-C176 PolarHBondContact O-N 3.32Å; E173-D177 PolarHBondContact O-N 3.03Å; E173-D177 VanDerWaalsContact O-N 3.12Å
174I98.4Very high97.9Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-65.6-39.5173.5-59.8-58.2000110.3V151 R152 I155 F169 D171 C176 D177 I178 F259V151-I174 HydrophobicContact CG1-CD1 4.32Å; R152-I174 HydrophobicContact CG-CD1 3.4Å; R152-I174 VanDerWaalsContact CG-CD1 3.4Å; I155-I174 HydrophobicContact CD1-CG2 3.7Å; F169-I174 HydrophobicContact CE2-CB 4.22Å; F169-I174 HydrophobicContact CE2-CG2 4.15Å; F169-I174 HydrophobicContact CZ-CG2 4.1Å; D171-I174 HydrophobicContact CB-CB 4.36Å; D171-I174 HydrophobicContact CB-CG1 4.04Å; D171-I174 PolarHBondContact O-N 3.25Å; I174-C176 VanDerWaalsContact C-N 3.33Å; I174-C176 PolarHBondContact O-N 3.3Å; I174-D177 PolarHBondContact O-N 3.44Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 2.85Å; I174-I178 VanDerWaalsContact O-N 3.11Å; I174-F259 HydrophobicContact CG2-CD1 4.2Å; I174-F259 HydrophobicContact CG2-CD2 3.67Å; I174-F259 HydrophobicContact CG2-CE1 4.23Å; I174-F259 HydrophobicContact CG2-CE2 3.68Å; I174-F259 HydrophobicContact CG2-CG 3.92Å; I174-F259 HydrophobicContact CG2-CZ 3.97Å
175F98.4Very high97.8Very high2 Ų236.5 Ų36.51%0.00919%0.185CC..Hα-helixtrans-64.9-37.1176.6-169.2-109.2000112.3F169 D171 V172 E173 I178 L179 F201 M204 I208 I210 L215F169-F175 HydrophobicContact CE1-CD2 4.19Å; F169-F175 HydrophobicContact CE2-CB 3.94Å; F169-F175 HydrophobicContact CE2-CD2 4.46Å; F169-F175 HydrophobicContact CZ-CB 3.93Å; F169-F175 AromaticContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CD2 3.83Å; F169-F175 HydrophobicContact CZ-CG 4.38Å; D171-F175 PolarHBondContact O-N 2.69Å; V172-F175 PolarHBondContact O-N 3.09Å; E173-F175 VanDerWaalsContact C-N 3.31Å; F175-I178 WeakPolarHBondContact O-CB 2.99Å; F175-I178 PolarHBondContact O-N 2.81Å; F175-L179 HydrophobicContact CD1-CD1 3.79Å; F175-L179 HydrophobicContact CD1-CG 4.17Å; F175-L179 HydrophobicContact CE1-CD1 3.59Å; F175-L179 HydrophobicContact CE1-CD2 4.15Å; F175-L179 HydrophobicContact CE1-CG 3.86Å; F175-L179 HydrophobicContact CZ-CD1 4.43Å; F175-L179 HydrophobicContact CZ-CD2 4.22Å; F175-L179 HydrophobicContact CZ-CG 4.24Å; F175-L179 WeakPolarHBondContact O-CG 3.44Å; F175-L179 PolarHBondContact O-N 3.25Å; F175-F201 AromaticContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CZ 4.29Å; F175-F201 AromaticContact CE2-CE2 3.91Å; F175-F201 HydrophobicContact CE2-CE2 3.91Å; F175-F201 AromaticContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CZ-CZ 4.4Å; F175-M204 HydrophobicContact CB-CE 3.94Å; F175-M204 HydrophobicContact CD1-CE 4.3Å; F175-M204 HydrophobicContact CD2-CE 4.21Å; F175-M204 HydrophobicContact CG-CE 3.88Å; F175-I208 HydrophobicContact CD1-CD1 3.76Å; F175-I208 HydrophobicContact CE1-CD1 4.12Å; F175-I210 HydrophobicContact CD1-CD1 4.46Å; F175-I210 HydrophobicContact CE1-CD1 3.65Å; F175-I210 HydrophobicContact CE1-CG1 3.66Å; F175-I210 HydrophobicContact CZ-CG1 4.33Å; F175-L215 HydrophobicContact CZ-CD2 4.17Å
176C98Very high97.5Very high63 Ų6338.2 Ų38.243%0.42620%0.203SC..Hα-helixtrans-60.9-42.5171.2-73.90000112.6V172 E173 I174 I178 L179 E180V172-C176 PolarHBondContact O-N 3.47Å; V172-C176 PolarHBondContact O-SG 3.22Å; V172-C176 VanDerWaalsContact O-SG 3.32Å; E173-C176 WeakPolarHBondContact O-CB 3.46Å; E173-C176 PolarHBondContact O-N 3.32Å; I174-C176 VanDerWaalsContact C-N 3.33Å; I174-C176 PolarHBondContact O-N 3.3Å; C176-I178 VanDerWaalsContact C-N 3.26Å; C176-I178 PolarHBondContact O-N 2.85Å; C176-L179 PolarHBondContact O-N 2.81Å; C176-E180 WeakPolarHBondContact O-CB 3.43Å; C176-E180 PolarHBondContact O-N 3.43Å
177D98.5Very high97.4Very high11 Ų1138 Ų386%0.05920%0.202CC..Hα-helixtrans-61.6-37176.3-66.6-12.3000111.5R152 I155 T156 E173 I174 A181R152-D177 WeakPolarHBondContact CB-OD2 3.49Å; R152-D177 VanDerWaalsContact CG-OD2 3.31Å; R152-D177 WeakPolarHBondContact CG-OD2 3.44Å; R152-D177 IonicContact CZ-OD1 3.49Å; R152-D177 IonicContact CZ-OD2 2.69Å; R152-D177 IonicContact NE-OD1 2.84Å; R152-D177 IonicContact NE-OD2 3.32Å; R152-D177 PolarHBondContact NE-OD2 3.17Å; R152-D177 IonicContact NH2-OD1 3.95Å; R152-D177 PolarHBondContact NH2-OD1 3.44Å; R152-D177 IonicContact NH2-OD2 3.26Å; R152-D177 PolarHBondContact NH2-OD2 3.12Å; I155-D177 HydrophobicContact CB-CB 4.4Å; I155-D177 HydrophobicContact CG2-CB 3.78Å; T156-D177 HydrophobicContact CG2-CB 4.33Å; E173-D177 PolarHBondContact O-N 3.03Å; E173-D177 VanDerWaalsContact O-N 3.12Å; I174-D177 PolarHBondContact O-N 3.44Å; D177-A181 PolarHBondContact O-N 3.28Å
178I98.4Very high97.3Very high1 Ų137.8 Ų37.81%0.00520%0.2CC..Hα-helixtrans-67.5-46.5175.1-69.6177.3000111.2I155 L162 I164 F169 I174 F175 C176 E180 A181 A182 V189 I218I155-I178 HydrophobicContact CD1-CG1 4.41Å; I155-I178 HydrophobicContact CG2-CG1 3.93Å; L162-I178 HydrophobicContact CD2-CG1 4.45Å; I164-I178 HydrophobicContact CD1-CD1 3.57Å; I164-I178 HydrophobicContact CD1-CG1 4.3Å; F169-I178 HydrophobicContact CE1-CD1 3.73Å; F169-I178 HydrophobicContact CZ-CD1 3.63Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 2.85Å; I174-I178 VanDerWaalsContact O-N 3.11Å; F175-I178 WeakPolarHBondContact O-CB 2.99Å; F175-I178 PolarHBondContact O-N 2.81Å; C176-I178 VanDerWaalsContact C-N 3.26Å; C176-I178 PolarHBondContact O-N 2.85Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.95Å; I178-A181 WeakPolarHBondContact O-CB 3.27Å; I178-A181 PolarHBondContact O-N 2.58Å; I178-A181 VanDerWaalsContact O-N 3.14Å; I178-A182 WeakPolarHBondContact O-CB 3.47Å; I178-A182 PolarHBondContact O-N 2.76Å; I178-V189 HydrophobicContact CG2-CB 4.35Å; I178-V189 HydrophobicContact CG2-CG1 3.87Å; I178-V189 HydrophobicContact CG2-CG2 4.18Å; I178-I218 HydrophobicContact CG2-CD1 3.9Å; I178-I218 HydrophobicContact CG2-CG1 4.47Å
179L97.6Very high97.2Very high28 Ų2835.7 Ų35.715%0.14719%0.187CC..Hα-helixtrans-59.7-40175.9-74.3172.4000111.3F175 C176 A182 N183 I210 H214 I218F175-L179 HydrophobicContact CD1-CD1 3.79Å; F175-L179 HydrophobicContact CD1-CG 4.17Å; F175-L179 HydrophobicContact CE1-CD1 3.59Å; F175-L179 HydrophobicContact CE1-CD2 4.15Å; F175-L179 HydrophobicContact CE1-CG 3.86Å; F175-L179 HydrophobicContact CZ-CD1 4.43Å; F175-L179 HydrophobicContact CZ-CD2 4.22Å; F175-L179 HydrophobicContact CZ-CG 4.24Å; F175-L179 WeakPolarHBondContact O-CG 3.44Å; F175-L179 PolarHBondContact O-N 3.25Å; C176-L179 PolarHBondContact O-N 2.81Å; L179-A182 PolarHBondContact O-N 3.29Å; L179-N183 VanDerWaalsContact O-CB 3.29Å; L179-N183 WeakPolarHBondContact O-CB 3.4Å; L179-N183 PolarHBondContact O-N 2.91Å; L179-I210 HydrophobicContact CD1-CD1 4Å; L179-H214 HydrophobicContact CD2-CB 4.04Å; L179-I218 HydrophobicContact CD2-CD1 3.8Å
180E97.9Very high97.2Very high71 Ų7135.7 Ų35.733%0.33219%0.187SC..Hα-helixtrans-63.8-42174.3173.6158-116.800111.9C176 I178 K184 R185C176-E180 WeakPolarHBondContact O-CB 3.43Å; C176-E180 PolarHBondContact O-N 3.43Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.95Å; E180-K184 HydrophobicContact CG-CB 4.47Å; E180-K184 HydrophobicContact CG-CD 4.02Å; E180-K184 HydrophobicContact CG-CG 4.41Å; E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.8Å; E180-K184 VanDerWaalsContact O-N 3.09Å; E180-K184 IonicContact OE1-NZ 3.22Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å; E180-R185 PolarHBondContact O-N 3.16Å
181A97.7Very high97.2Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-57.7-50.8173.100000111.9D177 I178 R185 G186 V187D177-A181 PolarHBondContact O-N 3.28Å; I178-A181 WeakPolarHBondContact O-CB 3.27Å; I178-A181 PolarHBondContact O-N 2.58Å; I178-A181 VanDerWaalsContact O-N 3.14Å; A181-R185 CarbonylContact O-C 3.5Å; A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.9Å; A181-G186 PolarHBondContact O-N 3.35Å; A181-V187 HydrophobicContact CB-CB 3.97Å; A181-V187 HydrophobicContact CB-CG1 4.41Å; A181-V187 HydrophobicContact CB-CG2 4.1Å; A181-V187 WeakPolarHBondContact O-CB 3.36Å; A181-V187 WeakPolarHBondContact O-CG2 3.43Å; A181-V187 PolarHBondContact O-N 3.27Å
182A96.3Very high97.2Very high0 Ų033.2 Ų33.20%017%0.172CC..Hα-helixtrans-71.1-48.4-173.200000113I178 L179 G186 V187 V189 N217 I218I178-A182 WeakPolarHBondContact O-CB 3.47Å; I178-A182 PolarHBondContact O-N 2.76Å; L179-A182 PolarHBondContact O-N 3.29Å; A182-G186 WeakPolarHBondContact O-CA 3.42Å; A182-G186 PolarHBondContact O-N 2.96Å; A182-V187 WeakPolarHBondContact CA-O 3.21Å; A182-V189 HydrophobicContact CB-CG2 4.23Å; A182-N217 HydrophobicContact CB-CB 4.06Å; A182-N217 PolarHBondContact O-ND2 2.94Å; A182-N217 VanDerWaalsContact O-ND2 3.09Å; A182-I218 HydrophobicContact CB-CD1 3.65Å; A182-I218 HydrophobicContact CB-CG1 3.4Å
183N95.6Very high97.2Very high75 Ų7530.5 Ų30.540%0.40116%0.156SC..Hα-helixtrans-94-28.5-167.5-63.4-33000113.4L179 H214L179-N183 VanDerWaalsContact O-CB 3.29Å; L179-N183 WeakPolarHBondContact O-CB 3.4Å; L179-N183 PolarHBondContact O-N 2.91Å; N183-H214 PolarHBondContact ND2-O 3.48Å; N183-H214 PolarHBondContact OD1-O 3.09Å
184K96.4Very high97.2Very high156 Ų15626.9 Ų26.968%0.67814%0.139SC*.Hα-helixtrans-97.1-33.7177.4-55.5-168-165.5162.40113.2E180E180-K184 HydrophobicContact CG-CB 4.47Å; E180-K184 HydrophobicContact CG-CD 4.02Å; E180-K184 HydrophobicContact CG-CG 4.41Å; E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.8Å; E180-K184 VanDerWaalsContact O-N 3.09Å; E180-K184 IonicContact OE1-NZ 3.22Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å
185R96.4Very high97Very high87 Ų8731 Ų3133%0.32816%0.158SC..Hα-helixtrans-105.4-8.9-176.4-65.9179.8-80.4128.6-9.8114I155 T156 T158 E180 A181 V187I155-R185 PolarHBondContact O-NH1 3.25Å; I155-R185 PolarHBondContact O-NH2 3.47Å; T156-R185 PolarHBondContact O-NH1 3.32Å; T158-R185 PolarHBondContact O-NH1 2.89Å; E180-R185 PolarHBondContact O-N 3.16Å; A181-R185 CarbonylContact O-C 3.5Å; A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.9Å; R185-V187 VanDerWaalsContact C-N 3.28Å; R185-V187 HydrophobicContact CB-CG2 4.03Å; R185-V187 PolarHBondContact O-N 3.17Å
186G93.8Very high96.8Very high35 Ų3533 Ų3336%0.36118%0.179SC..  trans71.222.2-179.400000113.8A181 A182A181-G186 PolarHBondContact O-N 3.35Å; A182-G186 WeakPolarHBondContact O-CA 3.42Å; A182-G186 PolarHBondContact O-N 2.96Å
187V96.1Very high96.6Very high0 Ų030 Ų300%016%0.159CC..  trans-70.8132.8176.7179.40000109.6T158 L162 A181 A182 R185 V189T158-V187 HydrophobicContact CG2-CG1 3.77Å; L162-V187 HydrophobicContact CB-CG1 4.03Å; A181-V187 HydrophobicContact CB-CB 3.97Å; A181-V187 HydrophobicContact CB-CG1 4.41Å; A181-V187 HydrophobicContact CB-CG2 4.1Å; A181-V187 WeakPolarHBondContact O-CB 3.36Å; A181-V187 WeakPolarHBondContact O-CG2 3.43Å; A181-V187 PolarHBondContact O-N 3.27Å; A182-V187 WeakPolarHBondContact CA-O 3.21Å; R185-V187 VanDerWaalsContact C-N 3.28Å; R185-V187 HydrophobicContact CB-CG2 4.03Å; R185-V187 PolarHBondContact O-N 3.17Å; V187-V189 HydrophobicContact CG1-CG2 4.17Å
188F95.1Very high96.5Very high21 Ų2130.9 Ų30.99%0.09217%0.165CC..EExtended strand (participates in β ladder)trans-83.1122172.2-72.6-92.7000109.8Q160 V161 L162 L304Q160-F188 PolarHBondContact O-N 3.32Å; V161-F188 CarbonylContact C-O 3.45Å; V161-F188 WeakPolarHBondContact CA-O 3.49Å; L162-F188 PolarHBondContact N-O 3.31Å; F188-L304 HydrophobicContact CD1-CG 4.22Å; F188-L304 HydrophobicContact CD2-CD1 4.08Å; F188-L304 HydrophobicContact CD2-CD2 3.4Å; F188-L304 VanDerWaalsContact CD2-CD2 3.4Å; F188-L304 HydrophobicContact CD2-CG 3.48Å; F188-L304 VanDerWaalsContact CD2-CG 3.48Å; F188-L304 HydrophobicContact CE1-CG 4.07Å; F188-L304 HydrophobicContact CE2-CB 4.41Å; F188-L304 HydrophobicContact CE2-CD1 4.4Å; F188-L304 HydrophobicContact CE2-CD2 2.99Å; F188-L304 HydrophobicContact CE2-CG 3.36Å; F188-L304 HydrophobicContact CG-CD1 4.4Å; F188-L304 HydrophobicContact CG-CD2 4.34Å; F188-L304 HydrophobicContact CG-CG 3.94Å; F188-L304 HydrophobicContact CZ-CB 4.28Å; F188-L304 HydrophobicContact CZ-CD2 3.62Å; F188-L304 HydrophobicContact CZ-CG 3.65Å
189V97.1Very high96.4Very high2 Ų238 Ų381%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-114.3128.8-175.8-172.10000110.4L162 I164 I178 A182 V187 V191 N217 I218 S219L162-V189 HydrophobicContact CB-CB 4.48Å; L162-V189 HydrophobicContact CB-CG1 4.22Å; L162-V189 HydrophobicContact CB-CG2 4.12Å; L162-V189 HydrophobicContact CD2-CG1 4.16Å; L162-V189 HydrophobicContact CD2-CG2 4.34Å; L162-V189 HydrophobicContact CG-CG1 4.36Å; L162-V189 CarbonylContact O-C 3.56Å; L162-V189 VanDerWaalsContact O-CA 3.31Å; L162-V189 WeakPolarHBondContact O-CA 3.46Å; I164-V189 HydrophobicContact CD1-CG1 4.29Å; I178-V189 HydrophobicContact CG2-CB 4.35Å; I178-V189 HydrophobicContact CG2-CG1 3.87Å; I178-V189 HydrophobicContact CG2-CG2 4.18Å; A182-V189 HydrophobicContact CB-CG2 4.23Å; V187-V189 HydrophobicContact CG1-CG2 4.17Å; V189-V191 HydrophobicContact CG1-CG2 4.05Å; V189-N217 PolarHBondContact N-O 3.4Å; V189-I218 HydrophobicContact CB-CB 4.48Å; V189-I218 HydrophobicContact CB-CG1 4.2Å; V189-I218 HydrophobicContact CB-CG2 4.17Å; V189-I218 HydrophobicContact CG1-CG2 4.34Å; V189-I218 HydrophobicContact CG2-CG1 4.45Å; V189-I218 CarbonylContact O-C 3.51Å; V189-I218 WeakPolarHBondContact O-CA 3.47Å; V189-S219 PolarHBondContact O-N 2.81Å
190C97.1Very high96.4Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-119.7123.6170.7-171.50000109.8W121 L162 V163 I164 S219 F286W121-C190 HydrophobicContact CH2-CB 3.43Å; W121-C190 VanDerWaalsContact CH2-CB 3.43Å; W121-C190 HydrophobicContact CZ2-CB 4.07Å; W121-C190 HydrophobicContact CZ3-CB 4.16Å; L162-C190 PolarHBondContact O-N 3.14Å; V163-C190 CarbonylContact C-O 3.52Å; V163-C190 WeakPolarHBondContact CA-O 3.47Å; I164-C190 PolarHBondContact N-O 3Å; C190-S219 WeakPolarHBondContact CA-O 3.36Å; C190-F286 HydrophobicContact CB-CZ 4.27Å
191V98.3Very high96.5Very high2 Ų237 Ų371%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-115.6117.5176.5-172.30000108.6I164 F169 V189 S219 I220 R221I164-V191 HydrophobicContact CB-CG1 4.39Å; I164-V191 HydrophobicContact CB-CG2 4.34Å; I164-V191 HydrophobicContact CD1-CG2 4.17Å; I164-V191 HydrophobicContact CG2-CG1 4.3Å; I164-V191 CarbonylContact O-C 3.5Å; I164-V191 WeakPolarHBondContact O-CA 3.3Å; F169-V191 HydrophobicContact CD1-CG1 4.38Å; V189-V191 HydrophobicContact CG1-CG2 4.05Å; V191-S219 PolarHBondContact N-O 3.26Å; V191-I220 HydrophobicContact CB-CG1 4.16Å; V191-I220 HydrophobicContact CG2-CG1 4.37Å; V191-R221 PolarHBondContact O-N 3.34Å
192L98.3Very high96.4Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-94.1115.4163.9-59.4-172.6000107.5I164 L165 M166 R221 V223 F286 L289 Y290I164-L192 PolarHBondContact O-N 2.66Å; L165-L192 WeakPolarHBondContact CA-O 3.4Å; L165-L192 HydrophobicContact CD1-CB 3.6Å; L165-L192 HydrophobicContact CD1-CD1 4.42Å; M166-L192 PolarHBondContact N-O 3.18Å; L192-R221 WeakPolarHBondContact CA-O 3.29Å; L192-R221 HydrophobicContact CD2-CB 3.89Å; L192-R221 HydrophobicContact CD2-CG 4.47Å; L192-V223 HydrophobicContact CB-CG1 4.11Å; L192-V223 HydrophobicContact CB-CG2 4.18Å; L192-V223 HydrophobicContact CD1-CG1 4.24Å; L192-V223 HydrophobicContact CD2-CG1 4.2Å; L192-V223 HydrophobicContact CG-CG1 4.41Å; L192-F286 HydrophobicContact CD1-CD2 3.55Å; L192-F286 HydrophobicContact CD1-CE2 3.68Å; L192-F286 HydrophobicContact CD2-CE2 4.45Å; L192-F286 HydrophobicContact CG-CD2 4.15Å; L192-F286 HydrophobicContact CG-CE2 3.86Å; L192-L289 HydrophobicContact CD1-CB 3.73Å; L192-Y290 HydrophobicContact CD2-CD2 4.03Å
193L98.4Very high96.5Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-114.5134.5-177.1-176.761.8000109.5M166 F169 Q195 V198 F201 R221 S222 V223M166-L193 HydrophobicContact CB-CD1 4.2Å; M166-L193 HydrophobicContact CG-CD1 4.45Å; M166-L193 CarbonylContact O-C 3.42Å; M166-L193 WeakPolarHBondContact O-CA 3.41Å; F169-L193 HydrophobicContact CB-CD1 3.96Å; L193-Q195 PolarHBondContact O-N 2.88Å; L193-V198 HydrophobicContact CD2-CG2 4.14Å; L193-V198 HydrophobicContact CG-CG2 4.34Å; L193-F201 HydrophobicContact CD2-CB 3.63Å; L193-F201 HydrophobicContact CD2-CD1 4.19Å; L193-F201 HydrophobicContact CD2-CG 3.87Å; L193-R221 PolarHBondContact N-O 3.01Å; L193-S222 CarbonylContact O-C 3.49Å; L193-S222 VanDerWaalsContact O-CA 3.24Å; L193-S222 WeakPolarHBondContact O-CA 3.35Å; L193-V223 WeakPolarHBondContact O-CG2 3.43Å; L193-V223 PolarHBondContact O-N 3.31Å
194D97.7Very high96.6Very high11 Ų1140.2 Ų40.26%0.05921%0.205CC..EExtended strand (participates in β ladder)trans-54137.2171179.179.4000110.9M166 G196 G197 V198 V223 I240M166-D194 PolarHBondContact O-N 3.25Å; D194-G196 PolarHBondContact O-N 3.49Å; D194-G196 VanDerWaalsContact O-N 3.15Å; D194-G196 WeakPolarHBondContact OD2-CA 3.46Å; D194-G196 PolarHBondContact OD2-N 3.21Å; D194-G197 WeakPolarHBondContact O-CA 3.47Å; D194-G197 PolarHBondContact O-N 2.77Å; D194-V198 PolarHBondContact O-N 3.3Å; D194-V223 CarbonylContact C-O 3.57Å; D194-V223 WeakPolarHBondContact CA-O 3.34Å; D194-I240 HydrophobicContact CB-CB 4.29Å; D194-I240 PolarHBondContact OD1-N 2.73Å
195Q94.8Very high96.6Very high87 Ų8732.8 Ų32.841%0.40717%0.173SC..Hα-helixtrans-54-35.2-178.2177.5-87.30.400112.4L193 G197 V198 V223 E224L193-Q195 PolarHBondContact O-N 2.88Å; Q195-G197 VanDerWaalsContact C-N 3.27Å; Q195-G197 PolarHBondContact O-N 2.67Å; Q195-V198 PolarHBondContact O-N 3.21Å; Q195-V223 PolarHBondContact N-O 3.13Å; Q195-E224 HydrophobicContact CB-CB 4.43Å
196G92.4Very high96.6Very high42 Ų4233.2 Ų33.243%0.43318%0.182SC..Hα-helixtrans-67.9-25.5177.500000113.5D194D194-G196 PolarHBondContact O-N 3.49Å; D194-G196 VanDerWaalsContact O-N 3.15Å; D194-G196 WeakPolarHBondContact OD2-CA 3.46Å; D194-G196 PolarHBondContact OD2-N 3.21Å
197G94.9Very high96.7Very high2 Ų239.1 Ų39.12%0.02120%0.197CC..Hα-helixtrans-84.6-19178.200000114.7D194 Q195 K199 L200 F201D194-G197 WeakPolarHBondContact O-CA 3.47Å; D194-G197 PolarHBondContact O-N 2.77Å; Q195-G197 VanDerWaalsContact C-N 3.27Å; Q195-G197 PolarHBondContact O-N 2.67Å; G197-K199 PolarHBondContact O-N 3.27Å; G197-L200 PolarHBondContact O-N 3.01Å; G197-F201 PolarHBondContact O-N 3.24Å; G197-F201 VanDerWaalsContact O-N 3.09Å
198V96.9Very high96.6Very high28 Ų2842 Ų4217%0.1721%0.212CC..Hα-helixtrans-59.6-43.1-172173.40000112.7L193 D194 Q195 L200 F201 Q202 V296L193-V198 HydrophobicContact CD2-CG2 4.14Å; L193-V198 HydrophobicContact CG-CG2 4.34Å; D194-V198 PolarHBondContact O-N 3.3Å; Q195-V198 PolarHBondContact O-N 3.21Å; V198-L200 PolarHBondContact O-N 3.21Å; V198-F201 PolarHBondContact O-N 3.15Å; V198-Q202 PolarHBondContact O-N 2.83Å; V198-V296 HydrophobicContact CG1-CG1 3.77Å; V198-V296 HydrophobicContact CG1-CG2 4.18Å; V198-V296 HydrophobicContact CG2-CG2 4.29Å
199K96.5Very high96.6Very high150 Ų15048.8 Ų48.865%0.65224%0.244SC*.Hα-helixtrans-59.9-48.1-178.6-175.7-175.9175.1-174.60111.6G197 F201 Q202 E203G197-K199 PolarHBondContact O-N 3.27Å; K199-F201 VanDerWaalsContact C-N 3.31Å; K199-F201 PolarHBondContact O-N 2.84Å; K199-Q202 PolarHBondContact O-N 3.42Å; K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.2Å
200L97.7Very high96.5Very high78 Ų7850.1 Ų50.141%0.40825%0.251SS..Hα-helixtrans-66.9-35.4-179.8-64.8175.2000111.9T170 G197 V198 E203 M204T170-L200 HydrophobicContact CG2-CB 3.67Å; T170-L200 HydrophobicContact CG2-CD1 4.49Å; G197-L200 PolarHBondContact O-N 3.01Å; V198-L200 PolarHBondContact O-N 3.21Å; L200-E203 PolarHBondContact O-N 3.15Å; L200-M204 PolarHBondContact O-N 3.13Å
201F98.1Very high96.1Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-64.3-44.3173.9176.2-101.9000111.6F169 F175 L193 G197 V198 K199 E203 M204 C205 I220 M297F169-F201 HydrophobicContact CB-CD2 3.83Å; F169-F201 AromaticContact CD1-CD2 3.94Å; F169-F201 HydrophobicContact CD1-CD2 3.94Å; F169-F201 AromaticContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD1-CE2 3.76Å; F169-F201 HydrophobicContact CD2-CD2 4.4Å; F169-F201 HydrophobicContact CE1-CE2 4.09Å; F169-F201 AromaticContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CD2 3.79Å; F169-F201 HydrophobicContact CG-CE2 4.02Å; F169-F201 WeakPolarHBondContact O-CA 3.2Å; F169-F201 WeakPolarHBondContact O-CB 3.49Å; F175-F201 AromaticContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CE2 3.94Å; F175-F201 HydrophobicContact CD2-CZ 4.29Å; F175-F201 AromaticContact CE2-CE2 3.91Å; F175-F201 HydrophobicContact CE2-CE2 3.91Å; F175-F201 AromaticContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CE2-CZ 3.77Å; F175-F201 HydrophobicContact CZ-CZ 4.4Å; L193-F201 HydrophobicContact CD2-CB 3.63Å; L193-F201 HydrophobicContact CD2-CD1 4.19Å; L193-F201 HydrophobicContact CD2-CG 3.87Å; G197-F201 PolarHBondContact O-N 3.24Å; G197-F201 VanDerWaalsContact O-N 3.09Å; V198-F201 PolarHBondContact O-N 3.15Å; K199-F201 VanDerWaalsContact C-N 3.31Å; K199-F201 PolarHBondContact O-N 2.84Å; F201-E203 PolarHBondContact O-N 3.39Å; F201-M204 HydrophobicContact CD2-CE 3.57Å; F201-M204 HydrophobicContact CE2-CE 3.58Å; F201-M204 WeakPolarHBondContact O-CB 3.43Å; F201-M204 PolarHBondContact O-N 3.24Å; F201-C205 PolarHBondContact O-N 3.16Å; F201-C205 PolarHBondContact O-SG 3.38Å; F201-I220 HydrophobicContact CD1-CG2 4.35Å; F201-I220 HydrophobicContact CE1-CB 4.35Å; F201-I220 HydrophobicContact CE1-CD1 4.43Å; F201-I220 HydrophobicContact CE1-CG1 4.03Å; F201-I220 HydrophobicContact CE1-CG2 3.84Å; F201-I220 HydrophobicContact CZ-CD1 4.29Å; F201-I220 HydrophobicContact CZ-CG1 3.97Å; F201-I220 HydrophobicContact CZ-CG2 4.44Å; F201-M297 HydrophobicContact CD1-SD 4.41Å; F201-M297 HydrophobicContact CE1-CG 4.26Å; F201-M297 HydrophobicContact CE1-SD 3.45Å; F201-M297 WeakPolarHBondContact CE1-SD 3.03Å; F201-M297 HydrophobicContact CZ-SD 4.08Å
202Q96.8Very high95.6Very high64 Ų6458.5 Ų58.530%0.29930%0.299SS..Hα-helixtrans-61.6-44.5175.8-171.762.255.600111.4V198 K199 M204 C205 D206V198-Q202 PolarHBondContact O-N 2.83Å; K199-Q202 PolarHBondContact O-N 3.42Å; Q202-M204 VanDerWaalsContact C-N 3.27Å; Q202-M204 PolarHBondContact O-N 2.85Å; Q202-C205 WeakPolarHBondContact O-CB 2.99Å; Q202-C205 PolarHBondContact O-N 3.33Å; Q202-C205 VanDerWaalsContact O-N 3.09Å; Q202-D206 PolarHBondContact NE2-OD1 2.93Å; Q202-D206 PolarHBondContact O-N 3.15Å
203E97.4Very high95.2Very high71 Ų7161.4 Ų61.433%0.33232%0.32SS..Hα-helixtrans-58.8-37.8174.9-71.3174.7-161.700112.5K199 L200 F201 K207K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.2Å; L200-E203 PolarHBondContact O-N 3.15Å; F201-E203 PolarHBondContact O-N 3.39Å; E203-K207 WeakPolarHBondContact O-CB 3.43Å; E203-K207 WeakPolarHBondContact O-CD 3.1Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 2.89Å
204M97.9Very high94.9Very high9 Ų964.8 Ų64.84%0.04434%0.335CS..Hα-helixtrans-64.3-47173.5179.9-166.868.800111F169 T170 V172 F175 L200 F201 Q202 D206 K207 I208F169-M204 HydrophobicContact CD2-CE 4.37Å; F169-M204 HydrophobicContact CE2-CE 4.45Å; T170-M204 VanDerWaalsContact CA-SD 3.57Å; T170-M204 VanDerWaalsContact O-SD 3.35Å; V172-M204 HydrophobicContact CG2-CG 3.7Å; V172-M204 HydrophobicContact CG2-SD 3.96Å; F175-M204 HydrophobicContact CB-CE 3.94Å; F175-M204 HydrophobicContact CD1-CE 4.3Å; F175-M204 HydrophobicContact CD2-CE 4.21Å; F175-M204 HydrophobicContact CG-CE 3.88Å; L200-M204 PolarHBondContact O-N 3.13Å; F201-M204 HydrophobicContact CD2-CE 3.57Å; F201-M204 HydrophobicContact CE2-CE 3.58Å; F201-M204 WeakPolarHBondContact O-CB 3.43Å; F201-M204 PolarHBondContact O-N 3.24Å; Q202-M204 VanDerWaalsContact C-N 3.27Å; Q202-M204 PolarHBondContact O-N 2.85Å; M204-D206 VanDerWaalsContact C-N 3.33Å; M204-D206 PolarHBondContact O-N 3.1Å; M204-K207 PolarHBondContact O-N 3.44Å; M204-I208 WeakPolarHBondContact O-CG1 3.29Å; M204-I208 PolarHBondContact O-N 3.1Å
205C96.7Very high94.6Very high0 Ų064.3 Ų64.30%033%0.333CS..Hα-helixtrans-60.4-41177.4-72.40000112.3F201 Q202 I208 Q209 I210 M297F201-C205 PolarHBondContact O-N 3.16Å; F201-C205 PolarHBondContact O-SG 3.38Å; Q202-C205 WeakPolarHBondContact O-CB 2.99Å; Q202-C205 PolarHBondContact O-N 3.33Å; Q202-C205 VanDerWaalsContact O-N 3.09Å; C205-I208 CarbonylContact O-C 3.59Å; C205-I208 PolarHBondContact O-N 2.9Å; C205-Q209 PolarHBondContact O-N 3.41Å; C205-I210 HydrophobicContact CB-CB 4.05Å; C205-I210 HydrophobicContact CB-CG1 4.05Å; C205-I210 PolarHBondContact O-N 3.38Å; C205-M297 HydrophobicContact CB-CE 4.29Å
206D95.7Very high94.5Very high96 Ų9666.9 Ų66.951%0.51334%0.343SS..Hα-helixtrans-66.5-42.8178.4-63.6-17000111Q202 M204 I208 Q209Q202-D206 PolarHBondContact NE2-OD1 2.93Å; Q202-D206 PolarHBondContact O-N 3.15Å; M204-D206 VanDerWaalsContact C-N 3.33Å; M204-D206 PolarHBondContact O-N 3.1Å; D206-I208 VanDerWaalsContact C-N 3.27Å; D206-I208 PolarHBondContact O-N 3.42Å; D206-Q209 PolarHBondContact O-N 3.13Å; D206-Q209 VanDerWaalsContact O-N 3.11Å
207K96.3Very high94.5Very high159 Ų15966.9 Ų66.969%0.69133%0.333SS*.Hα-helixtrans-58.8-36.1177.2-78.7166.9-174.9166.60113.1E203 M204E203-K207 WeakPolarHBondContact O-CB 3.43Å; E203-K207 WeakPolarHBondContact O-CD 3.1Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 2.89Å; M204-K207 PolarHBondContact O-N 3.44Å
208I95.5Very high94.5Very high60 Ų6066.8 Ų66.831%0.30833%0.332SS..THydrogen-bonded Turntrans-100.39.7179.572.8-174.1000112.9V172 F175 M204 C205 D206 I210V172-I208 HydrophobicContact CG1-CD1 4.28Å; V172-I208 HydrophobicContact CG1-CG2 4.07Å; V172-I208 HydrophobicContact CG2-CG2 4.19Å; F175-I208 HydrophobicContact CD1-CD1 3.76Å; F175-I208 HydrophobicContact CE1-CD1 4.12Å; M204-I208 WeakPolarHBondContact O-CG1 3.29Å; M204-I208 PolarHBondContact O-N 3.1Å; C205-I208 CarbonylContact O-C 3.59Å; C205-I208 PolarHBondContact O-N 2.9Å; D206-I208 VanDerWaalsContact C-N 3.27Å; D206-I208 PolarHBondContact O-N 3.42Å; I208-I210 HydrophobicContact CD1-CD1 3.76Å; I208-I210 HydrophobicContact CD1-CG1 3.82Å; I208-I210 HydrophobicContact CG1-CD1 3.65Å; I208-I210 HydrophobicContact CG1-CG1 3.55Å
209Q94.6Very high94.5Very high164 Ų16465.5 Ų65.577%0.76632%0.324SS*.THydrogen-bonded Turntrans56.550175.5-56.8-178.71.800114.3C205 D206 S211C205-Q209 PolarHBondContact O-N 3.41Å; D206-Q209 PolarHBondContact O-N 3.13Å; D206-Q209 VanDerWaalsContact O-N 3.11Å; Q209-S211 PolarHBondContact O-N 3.48Å
210I93.8Very high94.5Very high29 Ų2958.5 Ų58.515%0.14929%0.294CS..  trans-71.7127.4174.1-57.4-55.2000110.5F175 L179 C205 I208 H214 L215F175-I210 HydrophobicContact CD1-CD1 4.46Å; F175-I210 HydrophobicContact CE1-CD1 3.65Å; F175-I210 HydrophobicContact CE1-CG1 3.66Å; F175-I210 HydrophobicContact CZ-CG1 4.33Å; L179-I210 HydrophobicContact CD1-CD1 4Å; C205-I210 HydrophobicContact CB-CB 4.05Å; C205-I210 HydrophobicContact CB-CG1 4.05Å; C205-I210 PolarHBondContact O-N 3.38Å; I208-I210 HydrophobicContact CD1-CD1 3.76Å; I208-I210 HydrophobicContact CD1-CG1 3.82Å; I208-I210 HydrophobicContact CG1-CD1 3.65Å; I208-I210 HydrophobicContact CG1-CG1 3.55Å; I210-H214 HydrophobicContact CG2-CB 4.21Å; I210-L215 HydrophobicContact CG2-CD1 4.15Å; I210-L215 HydrophobicContact CG2-CD2 4.02Å; I210-L215 HydrophobicContact CG2-CG 4Å
211S90Very high94.5Very high49 Ų4955.5 Ų55.534%0.34328%0.277SS..  trans-107.7163.1172.567.80000111.2Q209 S213 H214Q209-S211 PolarHBondContact O-N 3.48Å; S211-S213 PolarHBondContact O-N 2.94Å; S211-S213 PolarHBondContact OG-OG 3.41Å; S211-H214 PolarHBondContact N-ND1 3.26Å; S211-H214 WeakPolarHBondContact O-CB 3.48Å; S211-H214 PolarHBondContact O-N 3.22Å
212D87.6Confident94.4Very high129 Ų12956.4 Ų56.469%0.6928%0.283SS*.G310 helixtrans-54.7-27173.8-71-21.2000112.9H214 L215D212-H214 PolarHBondContact O-N 2.92Å; D212-L215 PolarHBondContact O-N 3.42Å; D212-L215 VanDerWaalsContact O-N 3.12Å
213S89.6Confident94.4Very high62 Ų6253.5 Ų53.543%0.43427%0.27SS..G310 helixtrans-64.7-27177.477.80000113.3S211 K216S211-S213 PolarHBondContact O-N 2.94Å; S211-S213 PolarHBondContact OG-OG 3.41Å; S213-K216 WeakPolarHBondContact O-CE 3.3Å; S213-K216 WeakPolarHBondContact O-CG 3.35Å
214H91.4Very high94.3Very high70 Ų7053.5 Ų53.532%0.32427%0.27SS..G310 helixtrans-81.1-16.7176.9-57148000112.8L179 N183 I210 S211 D212L179-H214 HydrophobicContact CD2-CB 4.04Å; N183-H214 PolarHBondContact ND2-O 3.48Å; N183-H214 PolarHBondContact OD1-O 3.09Å; I210-H214 HydrophobicContact CG2-CB 4.21Å; S211-H214 PolarHBondContact N-ND1 3.26Å; S211-H214 WeakPolarHBondContact O-CB 3.48Å; S211-H214 PolarHBondContact O-N 3.22Å; D212-H214 PolarHBondContact O-N 2.92Å
215L92.6Very high94Very high1 Ų153.9 Ų53.91%0.00528%0.276CS..G310 helixtrans-106.819.7-172.8-56.2-179.9000112.9F175 I210 D212 N217 I218 I220 M297F175-L215 HydrophobicContact CZ-CD2 4.17Å; I210-L215 HydrophobicContact CG2-CD1 4.15Å; I210-L215 HydrophobicContact CG2-CD2 4.02Å; I210-L215 HydrophobicContact CG2-CG 4Å; D212-L215 PolarHBondContact O-N 3.42Å; D212-L215 VanDerWaalsContact O-N 3.12Å; L215-N217 PolarHBondContact O-N 2.85Å; L215-I218 HydrophobicContact CB-CB 4.46Å; L215-I218 HydrophobicContact CD2-CB 4.12Å; L215-I218 HydrophobicContact CD2-CD1 3.96Å; L215-I218 HydrophobicContact CD2-CG2 4.43Å; L215-I218 PolarHBondContact O-N 2.89Å; L215-I218 VanDerWaalsContact O-N 3.12Å; L215-I220 HydrophobicContact CD1-CD1 4.36Å; L215-I220 HydrophobicContact CD2-CD1 4.14Å; L215-M297 HydrophobicContact CD1-CB 4.08Å; L215-M297 HydrophobicContact CD1-CE 3.64Å; L215-M297 HydrophobicContact CD1-CG 3.91Å; L215-M297 HydrophobicContact CD1-SD 3.53Å; L215-M297 VanDerWaalsContact CD1-SD 3.53Å
216K91.3Very high93.6Very high141 Ų14161.3 Ų61.361%0.61331%0.311SS*.THydrogen-bonded Turntrans-58-31.6-178-70.9176.1-173.5178.90113.8S213 L299S213-K216 WeakPolarHBondContact O-CE 3.3Å; S213-K216 WeakPolarHBondContact O-CG 3.35Å; K216-L299 VanDerWaalsContact O-CD2 3.27Å; K216-L299 WeakPolarHBondContact O-CD2 3.38Å
217N93Very high93.4Very high42 Ų4259.1 Ų59.123%0.22530%0.3CS..THydrogen-bonded Turntrans-114.713.6178.7-69.4-14.6000112.6A182 V189 L215A182-N217 HydrophobicContact CB-CB 4.06Å; A182-N217 PolarHBondContact O-ND2 2.94Å; A182-N217 VanDerWaalsContact O-ND2 3.09Å; V189-N217 PolarHBondContact N-O 3.4Å; L215-N217 PolarHBondContact O-N 2.85Å
218I96.1Very high93.1Very high0 Ų054.3 Ų54.30%028%0.278CS..EExtended strand (participates in β ladder)trans-123.6125.6-177-51.4173.5000109I178 L179 A182 V189 L215 I220 G298 L299I178-I218 HydrophobicContact CG2-CD1 3.9Å; I178-I218 HydrophobicContact CG2-CG1 4.47Å; L179-I218 HydrophobicContact CD2-CD1 3.8Å; A182-I218 HydrophobicContact CB-CD1 3.65Å; A182-I218 HydrophobicContact CB-CG1 3.4Å; V189-I218 HydrophobicContact CB-CB 4.48Å; V189-I218 HydrophobicContact CB-CG1 4.2Å; V189-I218 HydrophobicContact CB-CG2 4.17Å; V189-I218 HydrophobicContact CG1-CG2 4.34Å; V189-I218 HydrophobicContact CG2-CG1 4.45Å; V189-I218 CarbonylContact O-C 3.51Å; V189-I218 WeakPolarHBondContact O-CA 3.47Å; L215-I218 HydrophobicContact CB-CB 4.46Å; L215-I218 HydrophobicContact CD2-CB 4.12Å; L215-I218 HydrophobicContact CD2-CD1 3.96Å; L215-I218 HydrophobicContact CD2-CG2 4.43Å; L215-I218 PolarHBondContact O-N 2.89Å; L215-I218 VanDerWaalsContact O-N 3.12Å; I218-I220 HydrophobicContact CB-CD1 4.38Å; I218-I220 HydrophobicContact CG2-CD1 3.47Å; I218-I220 VanDerWaalsContact CG2-CD1 3.47Å; I218-I220 HydrophobicContact CG2-CG1 4.2Å; I218-G298 WeakPolarHBondContact O-CA 3.32Å; I218-L299 WeakPolarHBondContact O-CB 3.44Å; I218-L299 PolarHBondContact O-N 2.93Å
219S95.5Very high92.7Very high2 Ų253.3 Ų53.31%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-111.9114.2173.5164.30000109.5V189 C190 V191 L299V189-S219 PolarHBondContact O-N 2.81Å; C190-S219 WeakPolarHBondContact CA-O 3.36Å; V191-S219 PolarHBondContact N-O 3.26Å; S219-L299 WeakPolarHBondContact CB-O 3.2Å; S219-L299 PolarHBondContact OG-O 2.76Å
220I97.1Very high92.5Very high2 Ų245.8 Ų45.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-104.2127.7172-6096.6000109.3V191 F201 L215 I218 V296 M297V191-I220 HydrophobicContact CB-CG1 4.16Å; V191-I220 HydrophobicContact CG2-CG1 4.37Å; F201-I220 HydrophobicContact CD1-CG2 4.35Å; F201-I220 HydrophobicContact CE1-CB 4.35Å; F201-I220 HydrophobicContact CE1-CD1 4.43Å; F201-I220 HydrophobicContact CE1-CG1 4.03Å; F201-I220 HydrophobicContact CE1-CG2 3.84Å; F201-I220 HydrophobicContact CZ-CD1 4.29Å; F201-I220 HydrophobicContact CZ-CG1 3.97Å; F201-I220 HydrophobicContact CZ-CG2 4.44Å; L215-I220 HydrophobicContact CD1-CD1 4.36Å; L215-I220 HydrophobicContact CD2-CD1 4.14Å; I218-I220 HydrophobicContact CB-CD1 4.38Å; I218-I220 HydrophobicContact CG2-CD1 3.47Å; I218-I220 VanDerWaalsContact CG2-CD1 3.47Å; I218-I220 HydrophobicContact CG2-CG1 4.2Å; I220-V296 HydrophobicContact CG2-CB 4.31Å; I220-V296 PolarHBondContact O-N 2.88Å; I220-M297 HydrophobicContact CB-CG 3.74Å; I220-M297 HydrophobicContact CD1-CG 3.68Å; I220-M297 HydrophobicContact CD1-SD 3.87Å; I220-M297 HydrophobicContact CG1-CG 4.14Å; I220-M297 HydrophobicContact CG2-CG 4.34Å; I220-M297 PolarHBondContact N-O 2.93Å; I220-M297 PolarHBondContact O-N 3.49Å
221R97.3Very high92.1Very high16 Ų1650.4 Ų50.46%0.0626%0.261CS..EExtended strand (participates in β ladder)trans-133.7145.8-176.7-49.4-177.565.490-0.5109.8V191 L192 L193 S293 K294V191-R221 PolarHBondContact O-N 3.34Å; L192-R221 WeakPolarHBondContact CA-O 3.29Å; L192-R221 HydrophobicContact CD2-CB 3.89Å; L192-R221 HydrophobicContact CD2-CG 4.47Å; L193-R221 PolarHBondContact N-O 3.01Å; R221-S293 PolarHBondContact NE-OG 3.18Å; R221-S293 PolarHBondContact NH2-O 3.07Å; R221-K294 CarbonylContact C-O 3.58Å; R221-K294 WeakPolarHBondContact CA-O 3.24Å; R221-K294 WeakPolarHBondContact CB-O 3.24Å
222S97.4Very high91.9Very high18 Ų1851.3 Ų51.313%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-92.4137.5176.665.30000110.7L193 S293 K294L193-S222 CarbonylContact O-C 3.49Å; L193-S222 VanDerWaalsContact O-CA 3.24Å; L193-S222 WeakPolarHBondContact O-CA 3.35Å; S222-S293 CarbonylContact O-C 3.55Å; S222-S293 VanDerWaalsContact O-CA 3.28Å; S222-S293 WeakPolarHBondContact O-CA 3.47Å; S222-K294 PolarHBondContact N-O 2.73Å; S222-K294 PolarHBondContact O-N 3.24Å; S222-K294 PolarHBondContact OG-O 2.86Å
223V96.6Very high91.8Very high3 Ų346.8 Ų46.82%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-123.4151.2172.4-710000109.8L165 L192 L193 D194 Q195 I240 L289 S293L165-V223 HydrophobicContact CD1-CG2 4.1Å; L192-V223 HydrophobicContact CB-CG1 4.11Å; L192-V223 HydrophobicContact CB-CG2 4.18Å; L192-V223 HydrophobicContact CD1-CG1 4.24Å; L192-V223 HydrophobicContact CD2-CG1 4.2Å; L192-V223 HydrophobicContact CG-CG1 4.41Å; L193-V223 WeakPolarHBondContact O-CG2 3.43Å; L193-V223 PolarHBondContact O-N 3.31Å; D194-V223 CarbonylContact C-O 3.57Å; D194-V223 WeakPolarHBondContact CA-O 3.34Å; Q195-V223 PolarHBondContact N-O 3.13Å; V223-I240 HydrophobicContact CB-CG1 4.37Å; V223-I240 HydrophobicContact CG2-CG1 3.94Å; V223-L289 HydrophobicContact CG1-CB 4.34Å; V223-L289 WeakPolarHBondContact CG1-O 3.31Å; V223-S293 VanDerWaalsContact CG1-CB 3.48Å
224E94.4Very high91.8Very high72 Ų7247.3 Ų47.334%0.33624%0.244SC..  trans-132.4149.9177.465.5-162.1168.800108.6Q195 A237 K294Q195-E224 HydrophobicContact CB-CB 4.43Å; E224-A237 HydrophobicContact CB-CB 4.16Å; E224-A237 HydrophobicContact CG-CB 4.48Å; E224-K294 IonicContact OE1-NZ 3.82Å; E224-K294 PolarHBondContact OE1-NZ 3.03Å; E224-K294 IonicContact OE2-NZ 2.76Å; E224-K294 PolarHBondContact OE2-NZ 3.5Å
225G91.9Very high91.8Very high16 Ų1645.2 Ų45.217%0.16523%0.234CC..  trans-75.5-174.2176.300000112.5V227 G238G225-V227 PolarHBondContact O-N 2.9Å; G225-G238 VanDerWaalsContact CA-O 3.3Å; G225-G238 WeakPolarHBondContact CA-O 3.31Å; G225-G238 PolarHBondContact N-O 2.77Å
226E88.9Confident91.7Very high157 Ų15746.3 Ų46.373%0.73424%0.239SC*.PPolyproline II helixtrans-53139.7177.6-69.7-62.8140.200112.3G238E226-G238 PolarHBondContact O-N 3.4Å
227V89.9Confident91.8Very high49 Ų4940.3 Ų40.330%0.29722%0.215SC..EExtended strand (participates in β ladder)trans-90.7117.7179.5-179.20000109.6G225 K235 F236 A237G225-V227 PolarHBondContact O-N 2.9Å; V227-K235 HydrophobicContact CG1-CB 3.89Å; V227-K235 HydrophobicContact CG1-CD 3.96Å; V227-K235 HydrophobicContact CG1-CG 4.34Å; V227-F236 WeakPolarHBondContact CA-O 3.48Å; V227-A237 HydrophobicContact CG2-CB 4.44Å
228Y90.4Very high91.8Very high58 Ų5839.3 Ų39.323%0.22722%0.216CC..EExtended strand (participates in β ladder)trans-80.6135.7168.5-174.1-84000109.8T39 D40 L43 K235 F236T39-Y228 HydrophobicContact CG2-CE1 3.99Å; T39-Y228 HydrophobicContact CG2-CE2 4.25Å; D40-Y228 PolarHBondContact OD1-OH 3.17Å; L43-Y228 HydrophobicContact CD1-CD1 3.47Å; L43-Y228 VanDerWaalsContact CD1-CD1 3.47Å; L43-Y228 HydrophobicContact CD1-CE1 3.51Å; Y228-K235 WeakPolarHBondContact O-CA 3.46Å; Y228-K235 WeakPolarHBondContact O-CB 3.32Å; Y228-F236 AromaticContact CD1-CD1 3.97Å; Y228-F236 HydrophobicContact CD1-CD1 3.97Å; Y228-F236 AromaticContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CE1 3.46Å; Y228-F236 VanDerWaalsContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CZ 4.41Å; Y228-F236 HydrophobicContact CD2-CE1 4.29Å; Y228-F236 HydrophobicContact CE1-CE1 4.36Å; Y228-F236 HydrophobicContact CG-CD1 4.12Å; Y228-F236 AromaticContact CG-CE1 3.41Å; Y228-F236 HydrophobicContact CG-CE1 3.41Å; Y228-F236 VanDerWaalsContact CG-CE1 3.41Å; Y228-F236 AromaticContact CG-CZ 3.95Å; Y228-F236 HydrophobicContact CG-CZ 3.95Å; Y228-F236 PolarHBondContact N-O 2.79Å; Y228-F236 PolarHBondContact O-N 3.39Å
229C88.2Confident91.7Very high39 Ų3944.2 Ų44.226%0.26424%0.238SC..EExtended strand (participates in β ladder)trans-121.6117.3178.2-60.50000110.1K235C229-K235 HydrophobicContact CB-CG 4.41Å; C229-K235 VanDerWaalsContact SG-CD 3.58Å; C229-K235 WeakPolarHBondContact SG-CE 3.46Å; C229-K235 PolarHBondContact SG-NZ 3.14Å; C229-K235 VanDerWaalsContact SG-NZ 3.4Å
230A89.1Confident91.7Very high7 Ų745 Ų456%0.05824%0.242CC..  trans-73161.1171.800000111.6D40 L43 S232 G233 R234D40-A230 HydrophobicContact CB-CB 4.48Å; D40-A230 VanDerWaalsContact OD1-CA 3.27Å; D40-A230 WeakPolarHBondContact OD1-CA 3.44Å; L43-A230 HydrophobicContact CB-CB 4.24Å; L43-A230 HydrophobicContact CD1-CB 3.9Å; A230-S232 PolarHBondContact O-N 2.84Å; A230-G233 PolarHBondContact O-N 2.8Å; A230-R234 HydrophobicContact CB-CB 4.44Å; A230-R234 PolarHBondContact N-O 2.99Å
231K86.1Confident91.7Very high125 Ų12554.3 Ų54.354%0.54328%0.277SS..THydrogen-bonded Turntrans-58.1-31.3176-72.5176.3-172.3179.20113.6E33 R36 D40 G233E33-K231 IonicContact OE1-NZ 3.97Å; R36-K231 VanDerWaalsContact CZ-CE 3.49Å; R36-K231 VanDerWaalsContact NH1-CE 3.29Å; R36-K231 VanDerWaalsContact NH2-CE 3.28Å; D40-K231 WeakPolarHBondContact OD2-CE 3.32Å; D40-K231 WeakPolarHBondContact OD2-CG 3.49Å; K231-G233 PolarHBondContact O-N 3.09Å
232S85.6Confident91.7Very high68 Ų6858.2 Ų58.248%0.47630%0.296SS..THydrogen-bonded Turntrans-67.7-14.6174.263.40000114D44 A230 R234D44-S232 VanDerWaalsContact CG-OG 3.27Å; D44-S232 WeakPolarHBondContact OD1-CB 3.28Å; D44-S232 PolarHBondContact OD1-OG 2.86Å; D44-S232 WeakPolarHBondContact OD2-CB 3.32Å; D44-S232 PolarHBondContact OD2-OG 2.88Å; A230-S232 PolarHBondContact O-N 2.84Å; S232-R234 WeakPolarHBondContact OG-CG 3.34Å; S232-R234 PolarHBondContact OG-N 3.14Å; S232-R234 VanDerWaalsContact OG-N 3.16Å
233G86.6Confident91.7Very high35 Ų3558.9 Ų58.936%0.36130%0.297SS..SBendtrans91.8-5.7-170.400000114.5A230 K231 K235A230-G233 PolarHBondContact O-N 2.8Å; K231-G233 PolarHBondContact O-N 3.09Å; G233-K235 WeakPolarHBondContact O-CG 3.47Å
234R88.9Confident91.8Very high72 Ų7259 Ų5927%0.27230%0.297SS..EExtended strand (participates in β ladder)trans-65.5145.7172.3-64.4-171.884.8165.96.4111.1L43 D44 E77 A230 S232L43-R234 WeakPolarHBondContact O-CD 3.11Å; L43-R234 VanDerWaalsContact O-CZ 3.28Å; L43-R234 PolarHBondContact O-NE 2.88Å; L43-R234 PolarHBondContact O-NH1 3.4Å; D44-R234 PolarHBondContact O-NH1 3.26Å; E77-R234 HydrophobicContact CG-CG 3.92Å; E77-R234 IonicContact OE1-NE 2.77Å; A230-R234 HydrophobicContact CB-CB 4.44Å; A230-R234 PolarHBondContact N-O 2.99Å; S232-R234 WeakPolarHBondContact OG-CG 3.34Å; S232-R234 PolarHBondContact OG-N 3.14Å; S232-R234 VanDerWaalsContact OG-N 3.16Å
235K91.1Very high92Very high26 Ų2655.8 Ų55.811%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-136.9155-172.4-53-170.9-179.8-154.80112.1A75 W76 R78 V227 Y228 C229 G233A75-K235 CarbonylContact C-O 3.56Å; A75-K235 WeakPolarHBondContact CA-O 3.43Å; W76-K235 VanDerWaalsContact CD1-O 3.26Å; W76-K235 HydrophobicContact CZ2-CB 4.36Å; W76-K235 HydrophobicContact CZ2-CD 4.33Å; W76-K235 PolarHBondContact N-O 3.37Å; W76-K235 PolarHBondContact O-N 3.11Å; R78-K235 VanDerWaalsContact NH1-NZ 3.14Å; V227-K235 HydrophobicContact CG1-CB 3.89Å; V227-K235 HydrophobicContact CG1-CD 3.96Å; V227-K235 HydrophobicContact CG1-CG 4.34Å; Y228-K235 WeakPolarHBondContact O-CA 3.46Å; Y228-K235 WeakPolarHBondContact O-CB 3.32Å; C229-K235 HydrophobicContact CB-CG 4.41Å; C229-K235 VanDerWaalsContact SG-CD 3.58Å; C229-K235 WeakPolarHBondContact SG-CE 3.46Å; C229-K235 PolarHBondContact SG-NZ 3.14Å; C229-K235 VanDerWaalsContact SG-NZ 3.4Å; G233-K235 WeakPolarHBondContact O-CG 3.47Å
236F91.6Very high92.3Very high25 Ų2555.1 Ų55.111%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-143.4151.6163.274.5-83.9000109.1L43 Y70 I71 Q74 V227 Y228L43-F236 HydrophobicContact CD1-CD1 3.73Å; L43-F236 HydrophobicContact CD1-CE1 3.84Å; L43-F236 HydrophobicContact CD2-CD1 3.69Å; L43-F236 HydrophobicContact CD2-CE1 4.36Å; L43-F236 HydrophobicContact CD2-CG 4.45Å; L43-F236 HydrophobicContact CG-CD1 4.21Å; L43-F236 HydrophobicContact CG-CE1 4.46Å; Y70-F236 AromaticContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CD2 3.99Å; Y70-F236 HydrophobicContact CE1-CE2 4.26Å; I71-F236 HydrophobicContact CD1-CZ 4.33Å; I71-F236 HydrophobicContact CG1-CD2 4.45Å; I71-F236 HydrophobicContact CG1-CE1 4.2Å; I71-F236 HydrophobicContact CG1-CE2 3.98Å; I71-F236 HydrophobicContact CG1-CZ 3.84Å; I71-F236 HydrophobicContact CG2-CD1 4.11Å; I71-F236 HydrophobicContact CG2-CE1 4.03Å; Q74-F236 HydrophobicContact CB-CB 4.12Å; V227-F236 WeakPolarHBondContact CA-O 3.48Å; Y228-F236 AromaticContact CD1-CD1 3.97Å; Y228-F236 HydrophobicContact CD1-CD1 3.97Å; Y228-F236 AromaticContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CE1 3.46Å; Y228-F236 VanDerWaalsContact CD1-CE1 3.46Å; Y228-F236 HydrophobicContact CD1-CZ 4.41Å; Y228-F236 HydrophobicContact CD2-CE1 4.29Å; Y228-F236 HydrophobicContact CE1-CE1 4.36Å; Y228-F236 HydrophobicContact CG-CD1 4.12Å; Y228-F236 AromaticContact CG-CE1 3.41Å; Y228-F236 HydrophobicContact CG-CE1 3.41Å; Y228-F236 VanDerWaalsContact CG-CE1 3.41Å; Y228-F236 AromaticContact CG-CZ 3.95Å; Y228-F236 HydrophobicContact CG-CZ 3.95Å; Y228-F236 PolarHBondContact N-O 2.79Å; Y228-F236 PolarHBondContact O-N 3.39Å
237A92.5Very high92.7Very high14 Ų1447.7 Ų47.712%0.11624%0.24CC..EExtended strand (participates in β ladder)trans-95.3145175.900000110.6Y70 E224 V227Y70-A237 PolarHBondContact OH-O 3.13Å; E224-A237 HydrophobicContact CB-CB 4.16Å; E224-A237 HydrophobicContact CG-CB 4.48Å; V227-A237 HydrophobicContact CG2-CB 4.44Å
238G92.6Very high93Very high22 Ų2246.6 Ų46.623%0.22723%0.233CC..PPolyproline II helixtrans-70.1159.3169.100000112.3G225 E226G225-G238 VanDerWaalsContact CA-O 3.3Å; G225-G238 WeakPolarHBondContact CA-O 3.31Å; G225-G238 PolarHBondContact N-O 2.77Å; E226-G238 PolarHBondContact O-N 3.4Å
239Q93.8Very high93.2Very high103 Ų10344.3 Ų44.348%0.48122%0.223SC..PPolyproline II helixtrans-86.8141.1173.1-60.1-175.5-43.400111Y70 R241Y70-Q239 HydrophobicContact CD2-CG 4.46Å; Y70-Q239 HydrophobicContact CE1-CG 4.37Å; Y70-Q239 HydrophobicContact CE2-CG 3.51Å; Y70-Q239 VanDerWaalsContact CE2-NE2 3.25Å; Y70-Q239 VanDerWaalsContact CZ-CG 3.45Å; Y70-Q239 WeakPolarHBondContact OH-CG 3.35Å; Q239-R241 HydrophobicContact CB-CG 4.38Å; Q239-R241 PolarHBondContact O-N 3.32Å
240I96.3Very high93.5Very high18 Ų1846.4 Ų46.49%0.09223%0.226CC..  trans-80.2104.7167.2-55.6-60.3000108.6L165 D194 V223 E242 L289L165-I240 HydrophobicContact CD1-CG2 4.05Å; L165-I240 HydrophobicContact CD2-CG2 4.15Å; L165-I240 HydrophobicContact CG-CG2 4.28Å; D194-I240 HydrophobicContact CB-CB 4.29Å; D194-I240 PolarHBondContact OD1-N 2.73Å; V223-I240 HydrophobicContact CB-CG1 4.37Å; V223-I240 HydrophobicContact CG2-CG1 3.94Å; I240-E242 HydrophobicContact CG2-CB 4.32Å; I240-L289 HydrophobicContact CD1-CD2 4.2Å
241R96.4Very high93.9Very high198 Ų19846.6 Ų46.675%0.74723%0.226SC*.  trans-93.1-9.3178.8-58-166.471.3177.53.5113.5Q239 K243Q239-R241 HydrophobicContact CB-CG 4.38Å; Q239-R241 PolarHBondContact O-N 3.32Å; R241-K243 WeakPolarHBondContact O-CE 3.44Å
242E96.8Very high94.5Very high97 Ų9740.7 Ų40.745%0.45320%0.2SC..  trans-70140.3179.2-63.2-178-170.200110.9L165 I240L165-E242 HydrophobicContact CD2-CB 3.65Å; I240-E242 HydrophobicContact CG2-CB 4.32Å
243K98.3Very high95.1Very high32 Ų3237.5 Ų37.514%0.13918%0.178CC..  trans-140.4117.8-176.8-74.5168.4-84.5-139.70109.9L165 M166 D167 R241 S254 G255 S256 S258L165-K243 WeakPolarHBondContact O-CA 3.28Å; M166-K243 HydrophobicContact SD-CD 4.21Å; M166-K243 HydrophobicContact SD-CG 4Å; D167-K243 WeakPolarHBondContact OD1-CD 3.38Å; D167-K243 IonicContact OD1-NZ 2.73Å; D167-K243 IonicContact OD2-NZ 3.32Å; D167-K243 PolarHBondContact OD2-NZ 3.31Å; R241-K243 WeakPolarHBondContact O-CE 3.44Å; K243-S254 WeakPolarHBondContact O-CA 3.16Å; K243-S254 WeakPolarHBondContact O-CB 3.24Å; K243-S254 PolarHBondContact O-OG 2.78Å; K243-G255 PolarHBondContact O-N 3.23Å; K243-S256 PolarHBondContact NZ-O 3.12Å; K243-S258 PolarHBondContact NZ-OG 3.04Å
244F98.6Very high95.7Very high5 Ų537.2 Ų37.22%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-155.3159.8172.862.7-100.5000113.2I164 L165 I246 V252 L253 F282 E285 F286I164-F244 WeakPolarHBondContact CA-O 3.47Å; L165-F244 HydrophobicContact CB-CD1 4.06Å; L165-F244 HydrophobicContact CB-CD2 4.37Å; L165-F244 HydrophobicContact CB-CE1 3.86Å; L165-F244 HydrophobicContact CB-CE2 4.15Å; L165-F244 HydrophobicContact CB-CG 4.32Å; L165-F244 HydrophobicContact CB-CZ 3.9Å; L165-F244 HydrophobicContact CD2-CD1 3.87Å; L165-F244 HydrophobicContact CD2-CE1 3.32Å; L165-F244 HydrophobicContact CD2-CZ 3.93Å; L165-F244 HydrophobicContact CG-CE1 4.24Å; L165-F244 PolarHBondContact N-O 3.21Å; L165-F244 PolarHBondContact O-N 3.39Å; L165-F244 VanDerWaalsContact O-N 3.14Å; F244-I246 HydrophobicContact CD2-CD1 4.27Å; F244-I246 HydrophobicContact CD2-CG1 3.8Å; F244-I246 HydrophobicContact CE2-CD1 3.85Å; F244-I246 HydrophobicContact CE2-CG1 3.86Å; F244-V252 HydrophobicContact CB-CG1 3.87Å; F244-V252 HydrophobicContact CD2-CG1 4.48Å; F244-V252 HydrophobicContact CG-CG1 4.47Å; F244-L253 CarbonylContact C-O 3.56Å; F244-L253 WeakPolarHBondContact CA-O 3.27Å; F244-L253 WeakPolarHBondContact CB-O 3.13Å; F244-F282 HydrophobicContact CB-CD1 4.16Å; F244-F282 HydrophobicContact CB-CE1 4.26Å; F244-F282 AromaticContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CE1 4.28Å; F244-F282 HydrophobicContact CD2-CD1 4.21Å; F244-F282 HydrophobicContact CE1-CD1 4.23Å; F244-F282 AromaticContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CE1 4.33Å; F244-E285 HydrophobicContact CE1-CG 4.4Å; F244-F286 HydrophobicContact CE2-CB 4.27Å; F244-F286 HydrophobicContact CZ-CB 4.21Å
245I98.8Very high96.1Very high5 Ų534.9 Ų34.93%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-126.8122.6176.6-53.6173.4000107.4V151 L162 V163 I164 V252 L253 F259V151-I245 HydrophobicContact CG1-CD1 3.94Å; L162-I245 HydrophobicContact CD1-CG2 3.44Å; L162-I245 VanDerWaalsContact CD1-CG2 3.44Å; L162-I245 HydrophobicContact CG-CG2 4.48Å; V163-I245 CarbonylContact O-C 3.6Å; V163-I245 VanDerWaalsContact O-CA 3.28Å; V163-I245 WeakPolarHBondContact O-CA 3.49Å; I164-I245 HydrophobicContact CG1-CG1 4.35Å; I164-I245 HydrophobicContact CG1-CG2 4.19Å; I245-V252 CarbonylContact O-C 3.57Å; I245-V252 VanDerWaalsContact O-CA 3.22Å; I245-V252 WeakPolarHBondContact O-CA 3.22Å; I245-L253 HydrophobicContact CB-CB 4.47Å; I245-L253 PolarHBondContact N-O 3.02Å; I245-L253 PolarHBondContact O-N 2.69Å; I245-F259 HydrophobicContact CD1-CE1 4.12Å; I245-F259 HydrophobicContact CD1-CZ 3.74Å; I245-F259 HydrophobicContact CG1-CZ 4.29Å
246I98.3Very high96.4Very high2 Ų235.7 Ų35.71%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-102.8119.7170.3-40.5-176.5000107.9V163 F244 W249 V252 V279 F282 F286V163-I246 HydrophobicContact CB-CB 4.07Å; V163-I246 HydrophobicContact CB-CG1 4.29Å; V163-I246 HydrophobicContact CG1-CD1 4.34Å; V163-I246 HydrophobicContact CG1-CG1 4.36Å; V163-I246 PolarHBondContact N-O 3.49Å; V163-I246 PolarHBondContact O-N 2.97Å; F244-I246 HydrophobicContact CD2-CD1 4.27Å; F244-I246 HydrophobicContact CD2-CG1 3.8Å; F244-I246 HydrophobicContact CE2-CD1 3.85Å; F244-I246 HydrophobicContact CE2-CG1 3.86Å; I246-W249 HydrophobicContact CD1-CZ3 4.08Å; I246-W249 HydrophobicContact CG2-CE3 3.87Å; I246-W249 HydrophobicContact CG2-CZ3 4.25Å; I246-V252 HydrophobicContact CB-CG2 4.4Å; I246-V252 HydrophobicContact CG1-CG2 4.01Å; I246-V252 HydrophobicContact CG2-CG2 4.16Å; I246-V279 HydrophobicContact CG2-CG1 4.2Å; I246-F282 HydrophobicContact CD1-CB 4.09Å; I246-F286 HydrophobicContact CD1-CB 4.39Å
247S97.5Very high96.7Very high1 Ų134.9 Ų34.91%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-108.2124.1177.2-175.40000110.1T158 W249 R250 F251T158-S247 WeakPolarHBondContact CB-OG 3.24Å; T158-S247 WeakPolarHBondContact CG2-OG 3.4Å; T158-S247 PolarHBondContact OG1-OG 3.18Å; S247-W249 PolarHBondContact O-N 3.27Å; S247-R250 PolarHBondContact O-N 2.91Å; S247-F251 PolarHBondContact N-O 3.32Å; S247-F251 VanDerWaalsContact N-O 3.07Å; S247-F251 PolarHBondContact O-N 3.23Å
248D95.4Very high97Very high26 Ų2634.8 Ų34.814%0.13917%0.172CC..THydrogen-bonded Turntrans52.425.2173.3-57.5-45.7000115.1T158 S159 Q160 V161 R250T158-D248 WeakPolarHBondContact CA-OD2 3.5Å; T158-D248 WeakPolarHBondContact CG2-OD1 3.45Å; S159-D248 VanDerWaalsContact N-CG 3.33Å; S159-D248 PolarHBondContact N-OD1 3.08Å; S159-D248 PolarHBondContact N-OD2 2.88Å; Q160-D248 PolarHBondContact N-OD1 3.05Å; V161-D248 PolarHBondContact N-OD1 2.9Å; V161-D248 VanDerWaalsContact N-OD1 3.15Å; V161-D248 PolarHBondContact O-N 3.28Å; D248-R250 HydrophobicContact CB-CB 4.48Å; D248-R250 PolarHBondContact O-N 3.07Å; D248-R250 VanDerWaalsContact O-N 3.07Å
249W95.5Very high97.3Very high10 Ų1033.9 Ų33.94%0.03816%0.162CC..THydrogen-bonded Turntrans49.133.9-170.4-52.8115000112.6P127 Y128 V161 V163 I246 S247 D283 F286P127-W249 WeakPolarHBondContact CD-O 3.38Å; Y128-W249 WeakPolarHBondContact CB-O 3.35Å; Y128-W249 HydrophobicContact CD1-CB 4Å; Y128-W249 WeakPolarHBondContact CD1-O 3.45Å; Y128-W249 HydrophobicContact CE1-CB 4.29Å; Y128-W249 HydrophobicContact CE1-CE3 4.39Å; Y128-W249 PolarHBondContact N-O 3.2Å; V161-W249 HydrophobicContact CG1-CG 4.39Å; V163-W249 HydrophobicContact CG2-CH2 4.17Å; V163-W249 HydrophobicContact CG2-CZ2 4.41Å; I246-W249 HydrophobicContact CD1-CZ3 4.08Å; I246-W249 HydrophobicContact CG2-CE3 3.87Å; I246-W249 HydrophobicContact CG2-CZ3 4.25Å; S247-W249 PolarHBondContact O-N 3.27Å; W249-D283 HydrophobicContact CE3-CB 4.36Å; W249-D283 HydrophobicContact CZ3-CB 3.83Å; W249-D283 WeakPolarHBondContact CZ3-OD1 3.36Å; W249-F286 HydrophobicContact CH2-CD1 4.16Å; W249-F286 HydrophobicContact CH2-CE1 4.32Å
250R94.8Very high97.5Very high83 Ų8330 Ų3031%0.31315%0.145SC..THydrogen-bonded Turntrans-115.8-38.3-176.3-173.7173.2170.5-164-11.1112.3S247 D248 S332S247-R250 PolarHBondContact O-N 2.91Å; D248-R250 HydrophobicContact CB-CB 4.48Å; D248-R250 PolarHBondContact O-N 3.07Å; D248-R250 VanDerWaalsContact O-N 3.07Å; R250-S332 PolarHBondContact NH2-O 3.24Å; R250-S332 VanDerWaalsContact NH2-O 3.12Å
251F97.3Very high97.5Very high12 Ų1236.3 Ų36.35%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-152.2158.9176.768.9-87.8000111.4C154 S247 L253 K273 F274 T275 P334 F335C154-F251 HydrophobicContact CB-CE2 4.38Å; C154-F251 HydrophobicContact CB-CZ 4.49Å; C154-F251 WeakPolarHBondContact SG-CE2 3.23Å; S247-F251 PolarHBondContact N-O 3.32Å; S247-F251 VanDerWaalsContact N-O 3.07Å; S247-F251 PolarHBondContact O-N 3.23Å; F251-L253 HydrophobicContact CD2-CG 4.35Å; F251-L253 HydrophobicContact CE2-CD1 4.48Å; F251-L253 HydrophobicContact CE2-CG 4.1Å; F251-K273 HydrophobicContact CD2-CG 4.29Å; F251-F274 CarbonylContact C-O 3.52Å; F251-F274 WeakPolarHBondContact CA-O 3.38Å; F251-F274 WeakPolarHBondContact CB-O 3.37Å; F251-T275 HydrophobicContact CB-CG2 3.86Å; F251-P334 HydrophobicContact CE1-CG 4.16Å; F251-P334 HydrophobicContact CZ-CG 4.48Å; F251-F335 HydrophobicContact CE2-CE2 4.04Å; F251-F335 HydrophobicContact CE2-CZ 4.03Å; F251-F335 HydrophobicContact CZ-CE2 4.29Å; F251-F335 HydrophobicContact CZ-CZ 4.33Å
252V98.6Very high97.5Very high0 Ų030.8 Ų30.80%015%0.153CC..EExtended strand (participates in β ladder)trans-115.3140.9175.1-178.60000109.5F244 I245 I246 K273 F274 V279 F282F244-V252 HydrophobicContact CB-CG1 3.87Å; F244-V252 HydrophobicContact CD2-CG1 4.48Å; F244-V252 HydrophobicContact CG-CG1 4.47Å; I245-V252 CarbonylContact O-C 3.57Å; I245-V252 VanDerWaalsContact O-CA 3.22Å; I245-V252 WeakPolarHBondContact O-CA 3.22Å; I246-V252 HydrophobicContact CB-CG2 4.4Å; I246-V252 HydrophobicContact CG1-CG2 4.01Å; I246-V252 HydrophobicContact CG2-CG2 4.16Å; V252-K273 CarbonylContact O-C 3.59Å; V252-K273 VanDerWaalsContact O-CA 3.24Å; V252-K273 WeakPolarHBondContact O-CA 3.39Å; V252-F274 HydrophobicContact CB-CB 4.34Å; V252-F274 PolarHBondContact N-O 3.07Å; V252-F274 PolarHBondContact O-N 3.16Å; V252-V279 HydrophobicContact CG2-CB 4.21Å; V252-V279 HydrophobicContact CG2-CG1 3.78Å; V252-V279 HydrophobicContact CG2-CG2 4.07Å; V252-F282 HydrophobicContact CB-CD2 4.32Å; V252-F282 HydrophobicContact CB-CG 4.38Å; V252-F282 HydrophobicContact CG1-CB 4.45Å; V252-F282 HydrophobicContact CG1-CD1 3.79Å; V252-F282 HydrophobicContact CG1-CD2 4.19Å; V252-F282 HydrophobicContact CG1-CE1 3.98Å; V252-F282 HydrophobicContact CG1-CE2 4.37Å; V252-F282 HydrophobicContact CG1-CG 3.9Å; V252-F282 HydrophobicContact CG1-CZ 4.27Å; V252-F282 HydrophobicContact CG2-CB 3.93Å; V252-F282 HydrophobicContact CG2-CD2 4.03Å; V252-F282 HydrophobicContact CG2-CG 3.98Å
253L98.4Very high97.4Very high2 Ų226.7 Ų26.71%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-109.1126.6159.9-66.2-178.9000108.7C154 F244 I245 F251 L271 S272 K273 F335C154-L253 HydrophobicContact CB-CD1 3.44Å; C154-L253 VanDerWaalsContact CB-CD1 3.44Å; F244-L253 CarbonylContact C-O 3.56Å; F244-L253 WeakPolarHBondContact CA-O 3.27Å; F244-L253 WeakPolarHBondContact CB-O 3.13Å; I245-L253 HydrophobicContact CB-CB 4.47Å; I245-L253 PolarHBondContact N-O 3.02Å; I245-L253 PolarHBondContact O-N 2.69Å; F251-L253 HydrophobicContact CD2-CG 4.35Å; F251-L253 HydrophobicContact CE2-CD1 4.48Å; F251-L253 HydrophobicContact CE2-CG 4.1Å; L253-L271 HydrophobicContact CB-CD1 4.27Å; L253-L271 HydrophobicContact CD1-CD2 4.21Å; L253-L271 HydrophobicContact CD2-CD2 4.16Å; L253-L271 HydrophobicContact CD2-CG 4.48Å; L253-S272 CarbonylContact C-O 3.54Å; L253-S272 WeakPolarHBondContact CA-O 3.4Å; L253-K273 HydrophobicContact CD2-CB 3.66Å; L253-K273 HydrophobicContact CD2-CG 3.93Å; L253-F335 HydrophobicContact CD1-CZ 4.41Å; L253-F335 HydrophobicContact CD2-CZ 4.45Å
254S98.6Very high97.1Very high28 Ų2825.5 Ų25.520%0.19613%0.132CC..EExtended strand (participates in β ladder)trans-137146.4176.5-176.20000110.8K243 L271 S272K243-S254 WeakPolarHBondContact O-CA 3.16Å; K243-S254 WeakPolarHBondContact O-CB 3.24Å; K243-S254 PolarHBondContact O-OG 2.78Å; S254-L271 CarbonylContact O-C 3.54Å; S254-S272 PolarHBondContact N-O 3.26Å; S254-S272 PolarHBondContact O-N 3.32Å
255G97.7Very high96.7Very high23 Ų2329.3 Ų29.324%0.23715%0.149CC..EExtended strand (participates in β ladder)trans172.2-159.5-177.900000114.2K243 I270K243-G255 PolarHBondContact O-N 3.23Å; G255-I270 VanDerWaalsContact CA-O 3.32Å; G255-I270 WeakPolarHBondContact CA-O 3.34Å
256S97.6Very high96.4Very high43 Ų4333.5 Ų33.530%0.30118%0.175SC..SBendtrans-87.4-10.7-177.467.30000114.1K243 S258 N269 I270K243-S256 PolarHBondContact NZ-O 3.12Å; S256-S258 PolarHBondContact O-N 3.43Å; S256-N269 PolarHBondContact O-OD1 3.24Å; S256-N269 VanDerWaalsContact OG-CA 3.27Å; S256-N269 WeakPolarHBondContact OG-CA 3.36Å; S256-N269 WeakPolarHBondContact OG-CB 3.3Å; S256-N269 PolarHBondContact OG-OD1 3Å; S256-I270 PolarHBondContact N-O 2.74Å; S256-I270 PolarHBondContact OG-N 3.42Å; S256-I270 VanDerWaalsContact OG-N 3.08Å
257Y97.8Very high96.1Very high9 Ų937.5 Ų37.54%0.03519%0.193CC..  trans-72.8109.3-172-171.1-85.7000112I147 R148 V151 F259 C263 G264 N269I147-Y257 HydrophobicContact CB-CD2 4.43Å; I147-Y257 HydrophobicContact CG2-CD2 3.7Å; I147-Y257 HydrophobicContact CG2-CG 4.04Å; R148-Y257 HydrophobicContact CB-CE2 4.19Å; R148-Y257 WeakPolarHBondContact CG-OH 3.43Å; V151-Y257 HydrophobicContact CG1-CE1 4.4Å; V151-Y257 HydrophobicContact CG2-CD1 4.04Å; V151-Y257 HydrophobicContact CG2-CE1 4.42Å; V151-Y257 HydrophobicContact CG2-CG 4.45Å; Y257-F259 HydrophobicContact CD1-CD1 4.1Å; Y257-F259 HydrophobicContact CD1-CE1 4.39Å; Y257-F259 HydrophobicContact CE1-CD1 4Å; Y257-F259 HydrophobicContact CE1-CE1 4.48Å; Y257-C263 HydrophobicContact CD2-CB 3.97Å; Y257-C263 HydrophobicContact CE2-CB 3.87Å; Y257-C263 WeakPolarHBondContact CE2-O 3.41Å; Y257-C263 HydrophobicContact CG-CB 4.38Å; Y257-G264 VanDerWaalsContact OH-CA 3.28Å; Y257-G264 WeakPolarHBondContact OH-CA 3.47Å; Y257-N269 HydrophobicContact CD2-CB 4.22Å
258S98.3Very high95.9Very high12 Ų1245.7 Ų45.78%0.08422%0.224CC..  trans-86.7154.9169-57.50000110.7D167 K243 S256 T260 C263D167-S258 VanDerWaalsContact CG-OG 3.23Å; D167-S258 WeakPolarHBondContact OD1-CB 3.46Å; D167-S258 PolarHBondContact OD1-OG 2.84Å; D167-S258 PolarHBondContact OD2-OG 3.26Å; K243-S258 PolarHBondContact NZ-OG 3.04Å; S256-S258 PolarHBondContact O-N 3.43Å; S258-T260 PolarHBondContact O-N 2.62Å; S258-C263 PolarHBondContact N-SG 3.15Å; S258-C263 WeakPolarHBondContact O-CB 3.42Å
259F98.4Very high95.9Very high2 Ų245 Ų451%0.00922%0.221CC..BIsolated β-bridgetrans-80.165.7179.7-68.7-5.6000111.4V151 I155 I164 M166 V168 F169 T170 D171 I174 I245 Y257V151-F259 HydrophobicContact CG1-CE1 3.66Å; V151-F259 HydrophobicContact CG1-CZ 4.2Å; I155-F259 HydrophobicContact CD1-CZ 4.34Å; I164-F259 HydrophobicContact CD1-CE2 4.25Å; I164-F259 HydrophobicContact CG2-CE2 3.86Å; I164-F259 HydrophobicContact CG2-CZ 4.21Å; M166-F259 HydrophobicContact CE-CD1 3.56Å; M166-F259 HydrophobicContact CE-CD2 3.95Å; M166-F259 HydrophobicContact CE-CE1 3.44Å; M166-F259 VanDerWaalsContact CE-CE1 3.44Å; M166-F259 HydrophobicContact CE-CE2 3.86Å; M166-F259 HydrophobicContact CE-CG 3.82Å; M166-F259 HydrophobicContact CE-CZ 3.61Å; M166-F259 HydrophobicContact CG-CB 4.38Å; M166-F259 HydrophobicContact CG-CD2 4.21Å; M166-F259 HydrophobicContact CG-CG 4.23Å; M166-F259 HydrophobicContact SD-CB 4.37Å; M166-F259 HydrophobicContact SD-CD1 4.09Å; M166-F259 HydrophobicContact SD-CD2 4.45Å; M166-F259 HydrophobicContact SD-CG 4.04Å; V168-F259 PolarHBondContact O-N 3.19Å; V168-F259 VanDerWaalsContact O-N 3.14Å; F169-F259 WeakPolarHBondContact CA-O 3.45Å; F169-F259 HydrophobicContact CB-CB 4.33Å; F169-F259 AromaticContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD1-CD2 3.85Å; F169-F259 HydrophobicContact CD2-CB 3.48Å; F169-F259 VanDerWaalsContact CD2-CB 3.48Å; F169-F259 AromaticContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CD2 3.81Å; F169-F259 HydrophobicContact CD2-CG 4.16Å; F169-F259 AromaticContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CD2 3.73Å; F169-F259 HydrophobicContact CE1-CE2 4.2Å; F169-F259 HydrophobicContact CE2-CB 3.89Å; F169-F259 AromaticContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CD2 3.68Å; F169-F259 HydrophobicContact CE2-CG 4.23Å; F169-F259 HydrophobicContact CG-CB 3.95Å; F169-F259 AromaticContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CD2 3.89Å; F169-F259 HydrophobicContact CG-CG 4.47Å; F169-F259 AromaticContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CD2 3.63Å; F169-F259 HydrophobicContact CZ-CE2 4.21Å; T170-F259 PolarHBondContact N-O 3.04Å; D171-F259 PolarHBondContact N-O 3.34Å; I174-F259 HydrophobicContact CG2-CD1 4.2Å; I174-F259 HydrophobicContact CG2-CD2 3.67Å; I174-F259 HydrophobicContact CG2-CE1 4.23Å; I174-F259 HydrophobicContact CG2-CE2 3.68Å; I174-F259 HydrophobicContact CG2-CG 3.92Å; I174-F259 HydrophobicContact CG2-CZ 3.97Å; I245-F259 HydrophobicContact CD1-CE1 4.12Å; I245-F259 HydrophobicContact CD1-CZ 3.74Å; I245-F259 HydrophobicContact CG1-CZ 4.29Å; Y257-F259 HydrophobicContact CD1-CD1 4.1Å; Y257-F259 HydrophobicContact CD1-CE1 4.39Å; Y257-F259 HydrophobicContact CE1-CD1 4Å; Y257-F259 HydrophobicContact CE1-CE1 4.48Å
260T98.3Very high95.9Very high22 Ų2247.8 Ų47.814%0.13524%0.235CC..SBendtrans-128.4153.4177.873.40000110.4V168 S258 L262 C263 G264V168-T260 HydrophobicContact CB-CG2 3.96Å; V168-T260 HydrophobicContact CG1-CG2 3.65Å; S258-T260 PolarHBondContact O-N 2.62Å; T260-L262 PolarHBondContact O-N 2.92Å; T260-C263 PolarHBondContact O-N 3.13Å; T260-C263 PolarHBondContact OG1-N 3.13Å; T260-G264 PolarHBondContact O-N 3.15Å
261W96.6Very high96Very high150 Ų15044.1 Ų44.157%0.56822%0.222SC*.Hα-helixtrans-57.2-39.2177-175.291000112.2G264 H265 V266W261-G264 PolarHBondContact O-N 2.95Å; W261-G264 VanDerWaalsContact O-N 3.13Å; W261-H265 AromaticContact CD1-CE1 3.47Å; W261-H265 VanDerWaalsContact CD1-CE1 3.47Å; W261-H265 AromaticContact CD1-ND1 3.57Å; W261-H265 AromaticContact CD2-ND1 3.64Å; W261-H265 AromaticContact CE2-CE1 3.75Å; W261-H265 AromaticContact CE2-CG 3.77Å; W261-H265 AromaticContact CE2-ND1 3.43Å; W261-H265 HydrophobicContact CE3-CB 4.49Å; W261-H265 AromaticContact CG-ND1 3.72Å; W261-H265 HydrophobicContact CH2-CB 4.1Å; W261-H265 HydrophobicContact CZ2-CB 4.11Å; W261-H265 AromaticContact CZ2-CG 3.86Å; W261-H265 HydrophobicContact CZ3-CB 4.3Å; W261-H265 AromaticContact NE1-CE1 3.24Å; W261-H265 PolarHBondContact NE1-CE1 3.47Å; W261-H265 AromaticContact NE1-ND1 3.38Å; W261-H265 PolarHBondContact NE1-ND1 3.32Å; W261-H265 AromaticContact NE1-NE2 3.85Å; W261-H265 PolarHBondContact O-N 3.15Å; W261-H265 VanDerWaalsContact O-N 3.15Å; W261-H265 PolarHBondContact O-ND1 3.37Å; W261-V266 HydrophobicContact CZ3-CG2 4Å
262L96.3Very high96Very high83 Ų8344.8 Ų44.844%0.43523%0.228SC..Hα-helixtrans-65.3-39.9179.4-68.8173000112.6T260 G264 H265 V266 H267T260-L262 PolarHBondContact O-N 2.92Å; L262-G264 PolarHBondContact O-N 3.25Å; L262-H265 PolarHBondContact O-N 3.33Å; L262-V266 HydrophobicContact CD2-CB 4.28Å; L262-V266 HydrophobicContact CD2-CG2 3.97Å; L262-V266 PolarHBondContact O-N 3.2Å; L262-H267 WeakPolarHBondContact CB-NE2 3.22Å; L262-H267 PolarHBondContact O-N 3.01Å
263C95.3Very high96Very high10 Ų1045.3 Ų45.37%0.06823%0.23CC..Hα-helixtrans-62.2-34.7172.9-800000112.1Y257 S258 T260 N269Y257-C263 HydrophobicContact CD2-CB 3.97Å; Y257-C263 HydrophobicContact CE2-CB 3.87Å; Y257-C263 WeakPolarHBondContact CE2-O 3.41Å; Y257-C263 HydrophobicContact CG-CB 4.38Å; S258-C263 PolarHBondContact N-SG 3.15Å; S258-C263 WeakPolarHBondContact O-CB 3.42Å; T260-C263 PolarHBondContact O-N 3.13Å; T260-C263 PolarHBondContact OG1-N 3.13Å; C263-N269 PolarHBondContact O-ND2 2.87Å
264G91.8Very high96Very high8 Ų847.5 Ų47.58%0.08224%0.24CC..Hα-helixtrans-72.3-24.5177.500000116Y257 T260 W261 L262Y257-G264 VanDerWaalsContact OH-CA 3.28Å; Y257-G264 WeakPolarHBondContact OH-CA 3.47Å; T260-G264 PolarHBondContact O-N 3.15Å; W261-G264 PolarHBondContact O-N 2.95Å; W261-G264 VanDerWaalsContact O-N 3.13Å; L262-G264 PolarHBondContact O-N 3.25Å
265H90.3Very high96Very high84 Ų8447.3 Ų47.339%0.38924%0.238SC..Hα-helixtrans-128.8-32.7-167.2-62.388.1000114.9R148 W261 L262R148-H265 VanDerWaalsContact CZ-CE1 3.48Å; R148-H265 PolarHBondContact NH1-CE1 3.26Å; R148-H265 PolarHBondContact NH1-NE2 2.99Å; R148-H265 VanDerWaalsContact NH1-NE2 3.15Å; W261-H265 AromaticContact CD1-CE1 3.47Å; W261-H265 VanDerWaalsContact CD1-CE1 3.47Å; W261-H265 AromaticContact CD1-ND1 3.57Å; W261-H265 AromaticContact CD2-ND1 3.64Å; W261-H265 AromaticContact CE2-CE1 3.75Å; W261-H265 AromaticContact CE2-CG 3.77Å; W261-H265 AromaticContact CE2-ND1 3.43Å; W261-H265 HydrophobicContact CE3-CB 4.49Å; W261-H265 AromaticContact CG-ND1 3.72Å; W261-H265 HydrophobicContact CH2-CB 4.1Å; W261-H265 HydrophobicContact CZ2-CB 4.11Å; W261-H265 AromaticContact CZ2-CG 3.86Å; W261-H265 HydrophobicContact CZ3-CB 4.3Å; W261-H265 AromaticContact NE1-CE1 3.24Å; W261-H265 PolarHBondContact NE1-CE1 3.47Å; W261-H265 AromaticContact NE1-ND1 3.38Å; W261-H265 PolarHBondContact NE1-ND1 3.32Å; W261-H265 AromaticContact NE1-NE2 3.85Å; W261-H265 PolarHBondContact O-N 3.15Å; W261-H265 VanDerWaalsContact O-N 3.15Å; W261-H265 PolarHBondContact O-ND1 3.37Å; L262-H265 PolarHBondContact O-N 3.33Å
266V91.9Very high95.9Very high93 Ų9346.2 Ų46.256%0.56423%0.226SC*.THydrogen-bonded Turntrans-117.8-45.8-168-176.30000111.7W261 L262W261-V266 HydrophobicContact CZ3-CG2 4Å; L262-V266 HydrophobicContact CD2-CB 4.28Å; L262-V266 HydrophobicContact CD2-CG2 3.97Å; L262-V266 PolarHBondContact O-N 3.2Å
267H92.8Very high95.8Very high86 Ų8649.7 Ų49.740%0.39824%0.238SC..SBendtrans-76.2145.6-175.7-57.8-34.3000111.8Q140 L262 N269Q140-H267 PolarHBondContact NE2-O 3.32Å; Q140-H267 PolarHBondContact OE1-O 3.38Å; Q140-H267 VanDerWaalsContact OE1-O 3.05Å; L262-H267 WeakPolarHBondContact CB-NE2 3.22Å; L262-H267 PolarHBondContact O-N 3.01Å; H267-N269 PolarHBondContact O-ND2 3.07Å
268R93.1Very high95.7Very high173 Ų17350.5 Ų50.565%0.65325%0.247SC*.  trans-91.1116.1174.4-162.9178.3174.891.70.6108.9Q140Q140-R268 HydrophobicContact CB-CG 4.13Å; Q140-R268 PolarHBondContact O-NH1 3.17Å; Q140-R268 PolarHBondContact O-NH2 3.48Å
269N94.8Very high95.7Very high12 Ų1250 Ų506%0.06424%0.243CC..  trans-112.1156.6-174.1-68.4-75000112.8Q140 I147 S256 Y257 C263 H267Q140-N269 PolarHBondContact N-O 2.93Å; I147-N269 HydrophobicContact CB-CB 4.38Å; I147-N269 HydrophobicContact CG1-CB 4.29Å; I147-N269 HydrophobicContact CG2-CB 4.01Å; S256-N269 PolarHBondContact O-OD1 3.24Å; S256-N269 VanDerWaalsContact OG-CA 3.27Å; S256-N269 WeakPolarHBondContact OG-CA 3.36Å; S256-N269 WeakPolarHBondContact OG-CB 3.3Å; S256-N269 PolarHBondContact OG-OD1 3Å; Y257-N269 HydrophobicContact CD2-CB 4.22Å; C263-N269 PolarHBondContact O-ND2 2.87Å; H267-N269 PolarHBondContact O-ND2 3.07Å
270I95.9Very high95.6Very high68 Ų6853.4 Ų53.435%0.34926%0.259SS..EExtended strand (participates in β ladder)trans-111.9144.8167.4-170.8176.1000108.9V137 F139 G255 S256V137-I270 HydrophobicContact CG1-CD1 3.84Å; V137-I270 HydrophobicContact CG1-CG1 3.9Å; F139-I270 HydrophobicContact CD1-CD1 4.14Å; F139-I270 HydrophobicContact CD1-CG1 4.07Å; F139-I270 HydrophobicContact CE1-CD1 3.46Å; F139-I270 VanDerWaalsContact CE1-CD1 3.46Å; F139-I270 HydrophobicContact CE1-CG1 3.89Å; F139-I270 HydrophobicContact CZ-CD1 4Å; G255-I270 VanDerWaalsContact CA-O 3.32Å; G255-I270 WeakPolarHBondContact CA-O 3.34Å; S256-I270 PolarHBondContact N-O 2.74Å; S256-I270 PolarHBondContact OG-N 3.42Å; S256-I270 VanDerWaalsContact OG-N 3.08Å
271L97.1Very high95.5Very high6 Ų656 Ų563%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-138.8139.7175.9-166.773.3000110.1V137 Y138 I147 L150 V151 L253 S254V137-L271 CarbonylContact C-O 3.57Å; Y138-L271 PolarHBondContact N-O 2.62Å; Y138-L271 PolarHBondContact O-N 3.34Å; I147-L271 HydrophobicContact CD1-CB 3.71Å; I147-L271 HydrophobicContact CG2-CB 4.05Å; I147-L271 HydrophobicContact CG2-CD2 4.28Å; L150-L271 HydrophobicContact CB-CD2 3.86Å; L150-L271 HydrophobicContact CD1-CD2 4.14Å; V151-L271 HydrophobicContact CG2-CD1 4.48Å; V151-L271 HydrophobicContact CG2-CD2 4.27Å; L253-L271 HydrophobicContact CB-CD1 4.27Å; L253-L271 HydrophobicContact CD1-CD2 4.21Å; L253-L271 HydrophobicContact CD2-CD2 4.16Å; L253-L271 HydrophobicContact CD2-CG 4.48Å; S254-L271 CarbonylContact O-C 3.54Å
272S97.5Very high95.5Very high26 Ų2650.8 Ų50.818%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-122.5133.3177.5-59.50000109.1T136 L253 S254T136-S272 CarbonylContact O-C 3.05Å; T136-S272 WeakPolarHBondContact O-CA 3.29Å; L253-S272 CarbonylContact C-O 3.54Å; L253-S272 WeakPolarHBondContact CA-O 3.4Å; S254-S272 PolarHBondContact N-O 3.26Å; S254-S272 PolarHBondContact O-N 3.32Å
273K97.8Very high95.5Very high11 Ų1147 Ų475%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-104.9129.4173.6180-175.8173.7-171.90109.7A135 T136 Y138 F251 V252 L253 N333 F335A135-K273 CarbonylContact C-O 3.57Å; A135-K273 VanDerWaalsContact CA-O 3.31Å; A135-K273 WeakPolarHBondContact CA-O 3.23Å; T136-K273 PolarHBondContact N-O 2.97Å; T136-K273 PolarHBondContact O-N 3.41Å; Y138-K273 HydrophobicContact CE2-CB 3.77Å; F251-K273 HydrophobicContact CD2-CG 4.29Å; V252-K273 CarbonylContact O-C 3.59Å; V252-K273 VanDerWaalsContact O-CA 3.24Å; V252-K273 WeakPolarHBondContact O-CA 3.39Å; L253-K273 HydrophobicContact CD2-CB 3.66Å; L253-K273 HydrophobicContact CD2-CG 3.93Å; K273-N333 PolarHBondContact NZ-OD1 2.8Å; K273-F335 HydrophobicContact CD-CD2 3.85Å; K273-F335 HydrophobicContact CD-CE2 3.61Å; K273-F335 VanDerWaalsContact NZ-CD2 3.3Å
274F98.4Very high95.4Very high49 Ų4951.3 Ų51.322%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-117140175-57.2-84.8000110.5S134 A135 F251 V252 A278 F282S134-F274 WeakPolarHBondContact O-CA 3.46Å; A135-F274 HydrophobicContact CB-CD1 3.82Å; A135-F274 HydrophobicContact CB-CE1 3.82Å; F251-F274 CarbonylContact C-O 3.52Å; F251-F274 WeakPolarHBondContact CA-O 3.38Å; F251-F274 WeakPolarHBondContact CB-O 3.37Å; V252-F274 HydrophobicContact CB-CB 4.34Å; V252-F274 PolarHBondContact N-O 3.07Å; V252-F274 PolarHBondContact O-N 3.16Å; F274-A278 HydrophobicContact CB-CB 4.15Å; F274-A278 HydrophobicContact CD1-CB 4.29Å; F274-F282 HydrophobicContact CB-CE2 4.47Å; F274-F282 AromaticContact CD2-CE2 3.79Å; F274-F282 HydrophobicContact CD2-CE2 3.79Å; F274-F282 AromaticContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CE2-CE2 4.18Å; F274-F282 AromaticContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CG-CE2 4.07Å; F274-F282 HydrophobicContact CG-CZ 4.49Å
275T97.8Very high95.6Very high24 Ų2453.1 Ų53.115%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-133165.9175.369.80000110.4K132 S133 S134 F251K132-T275 PolarHBondContact O-OG1 2.98Å; S133-T275 VanDerWaalsContact CA-O 3.29Å; S133-T275 WeakPolarHBondContact CA-O 3.45Å; S134-T275 PolarHBondContact N-O 3.1Å; S134-T275 PolarHBondContact N-OG1 3.14Å; S134-T275 PolarHBondContact O-N 3.31Å; S134-T275 PolarHBondContact OG-OG1 3.37Å; F251-T275 HydrophobicContact CB-CG2 3.86Å
276G96.3Very high95.9Very high0 Ų049.1 Ų49.10%024%0.244CC..G310 helixtrans66.3-151.6178.200000112.5Y128 D131 A278 V279Y128-G276 WeakPolarHBondContact CB-O 3.26Å; Y128-G276 CarbonylContact O-C 3.59Å; Y128-G276 WeakPolarHBondContact O-CA 3.41Å; D131-G276 VanDerWaalsContact O-CA 3.22Å; D131-G276 WeakPolarHBondContact O-CA 3.4Å; G276-A278 PolarHBondContact O-N 2.87Å; G276-V279 WeakPolarHBondContact O-CB 3.45Å; G276-V279 VanDerWaalsContact O-CG2 3.25Å; G276-V279 WeakPolarHBondContact O-CG2 3.24Å; G276-V279 PolarHBondContact O-N 2.75Å
277Q95.5Very high95.9Very high116 Ų11648.4 Ų48.454%0.54223%0.231SC..G310 helixtrans-57.3-19.9-176.6-68.1178.4-9.100114.9Y128 V279 E280Y128-Q277 PolarHBondContact O-N 2.78Å; Q277-V279 PolarHBondContact O-N 2.86Å; Q277-V279 VanDerWaalsContact O-N 3.09Å; Q277-E280 VanDerWaalsContact O-CB 3.31Å; Q277-E280 WeakPolarHBondContact O-CB 3.39Å; Q277-E280 PolarHBondContact O-N 3.31Å
278A96.1Very high95.9Very high26 Ų2649 Ų4922%0.21523%0.234CC..G310 helixtrans-63.3-12.1172.300000114.1S133 F274 G276 F282S133-A278 WeakPolarHBondContact OG-CB 3.32Å; F274-A278 HydrophobicContact CB-CB 4.15Å; F274-A278 HydrophobicContact CD1-CB 4.29Å; G276-A278 PolarHBondContact O-N 2.87Å; A278-F282 WeakPolarHBondContact O-CD2 3.19Å
279V97.7Very high96Very high0 Ų041.2 Ų41.20%021%0.206CC..G310 helixtrans-77.3-23.8174.1177.90000111.8Y128 I246 V252 G276 Q277 F282 D283Y128-V279 HydrophobicContact CD1-CB 3.98Å; Y128-V279 HydrophobicContact CD1-CG1 3.56Å; Y128-V279 HydrophobicContact CD2-CB 4.07Å; Y128-V279 HydrophobicContact CD2-CG1 4.48Å; Y128-V279 HydrophobicContact CE1-CG1 4.02Å; Y128-V279 HydrophobicContact CG-CB 3.7Å; Y128-V279 HydrophobicContact CG-CG1 3.84Å; Y128-V279 HydrophobicContact CG-CG2 4.42Å; I246-V279 HydrophobicContact CG2-CG1 4.2Å; V252-V279 HydrophobicContact CG2-CB 4.21Å; V252-V279 HydrophobicContact CG2-CG1 3.78Å; V252-V279 HydrophobicContact CG2-CG2 4.07Å; G276-V279 WeakPolarHBondContact O-CB 3.45Å; G276-V279 VanDerWaalsContact O-CG2 3.25Å; G276-V279 WeakPolarHBondContact O-CG2 3.24Å; G276-V279 PolarHBondContact O-N 2.75Å; Q277-V279 PolarHBondContact O-N 2.86Å; Q277-V279 VanDerWaalsContact O-N 3.09Å; V279-F282 WeakPolarHBondContact O-CB 3.37Å; V279-F282 PolarHBondContact O-N 2.9Å; V279-F282 VanDerWaalsContact O-N 3.15Å; V279-D283 PolarHBondContact O-N 3.13Å; V279-D283 VanDerWaalsContact O-N 3.13Å
280E95.4Very high95.9Very high75 Ų7540.9 Ų40.935%0.3520%0.204SC..Hα-helixtrans-58.6-47-174.5-175.7171.2-148.900113.7Y128 Q277 F282 D283 E284Y128-E280 HydrophobicContact CE2-CB 3.76Å; Y128-E280 HydrophobicContact CE2-CG 4.36Å; Q277-E280 VanDerWaalsContact O-CB 3.31Å; Q277-E280 WeakPolarHBondContact O-CB 3.39Å; Q277-E280 PolarHBondContact O-N 3.31Å; E280-F282 PolarHBondContact O-N 3.39Å; E280-D283 PolarHBondContact O-N 2.95Å; E280-D283 VanDerWaalsContact O-N 3.13Å; E280-E284 PolarHBondContact O-N 2.88Å
281P97Very high95.7Very high76 Ų7639 Ų3949%0.49420%0.198SC..Hα-helixtrans-63.3-30.2178-22.435.2000113.2E285P281-E285 WeakPolarHBondContact O-CB 3.43Å; P281-E285 PolarHBondContact O-N 3.23Å
282F97.8Very high95.4Very high41 Ų4142 Ų4218%0.1822%0.219CC..Hα-helixtrans-73.2-34.3176.5-68.9-87.3000112.3F244 I246 V252 F274 A278 V279 E280 F286F244-F282 HydrophobicContact CB-CD1 4.16Å; F244-F282 HydrophobicContact CB-CE1 4.26Å; F244-F282 AromaticContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CD1 3.84Å; F244-F282 HydrophobicContact CD1-CE1 4.28Å; F244-F282 HydrophobicContact CD2-CD1 4.21Å; F244-F282 HydrophobicContact CE1-CD1 4.23Å; F244-F282 AromaticContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CD1 3.82Å; F244-F282 HydrophobicContact CG-CE1 4.33Å; I246-F282 HydrophobicContact CD1-CB 4.09Å; V252-F282 HydrophobicContact CB-CD2 4.32Å; V252-F282 HydrophobicContact CB-CG 4.38Å; V252-F282 HydrophobicContact CG1-CB 4.45Å; V252-F282 HydrophobicContact CG1-CD1 3.79Å; V252-F282 HydrophobicContact CG1-CD2 4.19Å; V252-F282 HydrophobicContact CG1-CE1 3.98Å; V252-F282 HydrophobicContact CG1-CE2 4.37Å; V252-F282 HydrophobicContact CG1-CG 3.9Å; V252-F282 HydrophobicContact CG1-CZ 4.27Å; V252-F282 HydrophobicContact CG2-CB 3.93Å; V252-F282 HydrophobicContact CG2-CD2 4.03Å; V252-F282 HydrophobicContact CG2-CG 3.98Å; F274-F282 HydrophobicContact CB-CE2 4.47Å; F274-F282 AromaticContact CD2-CE2 3.79Å; F274-F282 HydrophobicContact CD2-CE2 3.79Å; F274-F282 AromaticContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CD2-CZ 3.78Å; F274-F282 HydrophobicContact CE2-CE2 4.18Å; F274-F282 AromaticContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CE2-CZ 3.8Å; F274-F282 HydrophobicContact CG-CE2 4.07Å; F274-F282 HydrophobicContact CG-CZ 4.49Å; A278-F282 WeakPolarHBondContact O-CD2 3.19Å; V279-F282 WeakPolarHBondContact O-CB 3.37Å; V279-F282 PolarHBondContact O-N 2.9Å; V279-F282 VanDerWaalsContact O-N 3.15Å; E280-F282 PolarHBondContact O-N 3.39Å; F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.5Å; F282-F286 PolarHBondContact O-N 2.72Å
283D95.2Very high95.2Very high3 Ų341 Ų412%0.01621%0.212CC..Hα-helixtrans-66.4-43.7171.8165.744.5000111.1K126 Y128 W249 V279 E280 F286 R287K126-D283 IonicContact NZ-OD2 2.73Å; K126-D283 PolarHBondContact NZ-OD2 3.41Å; Y128-D283 PolarHBondContact OH-OD2 2.83Å; W249-D283 HydrophobicContact CE3-CB 4.36Å; W249-D283 HydrophobicContact CZ3-CB 3.83Å; W249-D283 WeakPolarHBondContact CZ3-OD1 3.36Å; V279-D283 PolarHBondContact O-N 3.13Å; V279-D283 VanDerWaalsContact O-N 3.13Å; E280-D283 PolarHBondContact O-N 2.95Å; E280-D283 VanDerWaalsContact O-N 3.13Å; D283-F286 PolarHBondContact O-N 3.48Å; D283-R287 WeakPolarHBondContact O-CG 3.31Å; D283-R287 PolarHBondContact O-N 2.98Å; D283-R287 IonicContact OD1-CZ 3.98Å; D283-R287 IonicContact OD1-NE 3.7Å; D283-R287 PolarHBondContact OD1-NE 3.24Å; D283-R287 IonicContact OD1-NH2 3.77Å; D283-R287 IonicContact OD2-CZ 2.77Å; D283-R287 IonicContact OD2-NE 3.88Å; D283-R287 PolarHBondContact OD2-NE 3.04Å; D283-R287 IonicContact OD2-NH2 3.13Å; D283-R287 PolarHBondContact OD2-NH2 3Å
284E94.3Very high95Very high101 Ų10145.4 Ų45.447%0.47223%0.232SC..Hα-helixtrans-59.3-48.1174.3-71.5-179.2167.400112.1E280 F286 R287 H288E280-E284 PolarHBondContact O-N 2.88Å; E284-F286 PolarHBondContact O-N 3.09Å; E284-R287 VanDerWaalsContact CG-NH2 3.3Å; E284-R287 PolarHBondContact O-N 3.38Å; E284-H288 WeakPolarHBondContact O-CB 3.43Å; E284-H288 PolarHBondContact O-N 3.45Å
285E95.9Very high94.8Very high45 Ų4547.1 Ų47.121%0.2125%0.247CC..Hα-helixtrans-62.1-43.9177.7-173.456.3-144.400111.7F244 P281 R287 H288 L289F244-E285 HydrophobicContact CE1-CG 4.4Å; P281-E285 WeakPolarHBondContact O-CB 3.43Å; P281-E285 PolarHBondContact O-N 3.23Å; E285-R287 VanDerWaalsContact C-N 3.34Å; E285-R287 PolarHBondContact O-N 3.28Å; E285-H288 WeakPolarHBondContact O-CB 3.13Å; E285-H288 PolarHBondContact O-N 3.08Å; E285-L289 HydrophobicContact CG-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CG 3.25Å; E285-L289 PolarHBondContact O-N 2.93Å; E285-L289 WeakPolarHBondContact OE1-CG 3.35Å
286F95.4Very high94.6Very high1 Ų148.4 Ų48.40%0.00426%0.255CS..Hα-helixtrans-58.4-45.8174.4166.3-109.7000112.1W121 V163 C190 L192 F244 I246 W249 F282 D283 E284 H288 L289 Y290W121-F286 AromaticContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CE1 3.98Å; W121-F286 HydrophobicContact CE3-CZ 4.12Å; W121-F286 HydrophobicContact CH2-CZ 4.45Å; W121-F286 HydrophobicContact CZ3-CE1 4Å; W121-F286 AromaticContact CZ3-CZ 3.66Å; W121-F286 HydrophobicContact CZ3-CZ 3.66Å; V163-F286 HydrophobicContact CB-CE2 4.43Å; V163-F286 HydrophobicContact CG1-CB 4.27Å; V163-F286 HydrophobicContact CG1-CD1 3.98Å; V163-F286 HydrophobicContact CG1-CD2 3.17Å; V163-F286 HydrophobicContact CG1-CE1 4.09Å; V163-F286 HydrophobicContact CG1-CE2 3.31Å; V163-F286 HydrophobicContact CG1-CG 3.52Å; V163-F286 HydrophobicContact CG1-CZ 3.77Å; V163-F286 HydrophobicContact CG2-CD1 4.38Å; V163-F286 HydrophobicContact CG2-CE1 3.97Å; V163-F286 HydrophobicContact CG2-CE2 4.35Å; V163-F286 HydrophobicContact CG2-CZ 3.94Å; C190-F286 HydrophobicContact CB-CZ 4.27Å; L192-F286 HydrophobicContact CD1-CD2 3.55Å; L192-F286 HydrophobicContact CD1-CE2 3.68Å; L192-F286 HydrophobicContact CD2-CE2 4.45Å; L192-F286 HydrophobicContact CG-CD2 4.15Å; L192-F286 HydrophobicContact CG-CE2 3.86Å; F244-F286 HydrophobicContact CE2-CB 4.27Å; F244-F286 HydrophobicContact CZ-CB 4.21Å; I246-F286 HydrophobicContact CD1-CB 4.39Å; W249-F286 HydrophobicContact CH2-CD1 4.16Å; W249-F286 HydrophobicContact CH2-CE1 4.32Å; F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.5Å; F282-F286 PolarHBondContact O-N 2.72Å; D283-F286 PolarHBondContact O-N 3.48Å; E284-F286 PolarHBondContact O-N 3.09Å; F286-H288 VanDerWaalsContact C-N 3.32Å; F286-H288 PolarHBondContact O-N 3.2Å; F286-L289 PolarHBondContact O-N 3.38Å; F286-Y290 HydrophobicContact CE2-CD2 4.11Å; F286-Y290 AromaticContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CG 4.42Å; F286-Y290 WeakPolarHBondContact O-CB 3.27Å; F286-Y290 PolarHBondContact O-N 3.07Å
287R93.1Very high94.4Very high77 Ų7749.7 Ų49.729%0.29126%0.261SS..Hα-helixtrans-63-41178.7-78.5-175.4-82.2121.1-5.3111.5L117 D283 E284 E285 Y290 A291L117-R287 HydrophobicContact CD1-CB 3.97Å; L117-R287 HydrophobicContact CD1-CG 3.94Å; L117-R287 HydrophobicContact CD2-CG 4.31Å; D283-R287 WeakPolarHBondContact O-CG 3.31Å; D283-R287 PolarHBondContact O-N 2.98Å; D283-R287 IonicContact OD1-CZ 3.98Å; D283-R287 IonicContact OD1-NE 3.7Å; D283-R287 PolarHBondContact OD1-NE 3.24Å; D283-R287 IonicContact OD1-NH2 3.77Å; D283-R287 IonicContact OD2-CZ 2.77Å; D283-R287 IonicContact OD2-NE 3.88Å; D283-R287 PolarHBondContact OD2-NE 3.04Å; D283-R287 IonicContact OD2-NH2 3.13Å; D283-R287 PolarHBondContact OD2-NH2 3Å; E284-R287 VanDerWaalsContact CG-NH2 3.3Å; E284-R287 PolarHBondContact O-N 3.38Å; E285-R287 VanDerWaalsContact C-N 3.34Å; E285-R287 PolarHBondContact O-N 3.28Å; R287-Y290 PolarHBondContact O-N 3.13Å; R287-A291 PolarHBondContact O-N 3.16Å
288H91.4Very high94Very high98 Ų9845 Ų4545%0.45425%0.245SC..Hα-helixtrans-59.6-52.4175.9-177.766000111.8E284 E285 F286 Y290 A291E284-H288 WeakPolarHBondContact O-CB 3.43Å; E284-H288 PolarHBondContact O-N 3.45Å; E285-H288 WeakPolarHBondContact O-CB 3.13Å; E285-H288 PolarHBondContact O-N 3.08Å; F286-H288 VanDerWaalsContact C-N 3.32Å; F286-H288 PolarHBondContact O-N 3.2Å; H288-Y290 VanDerWaalsContact C-N 3.34Å; H288-Y290 PolarHBondContact O-N 3.22Å; H288-A291 WeakPolarHBondContact O-CB 3.36Å; H288-A291 PolarHBondContact O-N 3.18Å
289L94.9Very high93.3Very high11 Ų1145.8 Ų45.86%0.05825%0.245CC..Hα-helixtrans-67.1-34.2178.5-67.5172.9000112.7L165 L192 V223 I240 E285 F286 A291 S292 S293L165-L289 HydrophobicContact CD1-CD1 3.82Å; L165-L289 HydrophobicContact CD2-CD1 3.49Å; L165-L289 VanDerWaalsContact CD2-CD1 3.49Å; L165-L289 HydrophobicContact CG-CD1 4.32Å; L192-L289 HydrophobicContact CD1-CB 3.73Å; V223-L289 HydrophobicContact CG1-CB 4.34Å; V223-L289 WeakPolarHBondContact CG1-O 3.31Å; I240-L289 HydrophobicContact CD1-CD2 4.2Å; E285-L289 HydrophobicContact CG-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CG 3.25Å; E285-L289 PolarHBondContact O-N 2.93Å; E285-L289 WeakPolarHBondContact OE1-CG 3.35Å; F286-L289 PolarHBondContact O-N 3.38Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.39Å; L289-S292 PolarHBondContact O-N 3.04Å; L289-S292 PolarHBondContact O-OG 3.3Å; L289-S293 WeakPolarHBondContact O-CB 3.31Å; L289-S293 PolarHBondContact O-N 3.36Å; L289-S293 VanDerWaalsContact O-N 3.14Å
290Y93.4Very high92.1Very high5 Ų554.4 Ų54.42%0.0228%0.282CS..Hα-helixtrans-63.1-38.6175.2-172.7-83.6000111.1L117 W121 L192 F286 R287 H288 S292 S293L117-Y290 HydrophobicContact CD2-CD1 3.23Å; L117-Y290 HydrophobicContact CD2-CE1 3.79Å; L117-Y290 HydrophobicContact CD2-CG 3.74Å; L117-Y290 HydrophobicContact CG-CD1 3.89Å; L117-Y290 HydrophobicContact CG-CE1 4.36Å; W121-Y290 HydrophobicContact CH2-CE2 4.14Å; W121-Y290 HydrophobicContact CZ3-CD2 4.07Å; W121-Y290 AromaticContact CZ3-CE2 3.65Å; W121-Y290 HydrophobicContact CZ3-CE2 3.65Å; L192-Y290 HydrophobicContact CD2-CD2 4.03Å; F286-Y290 HydrophobicContact CE2-CD2 4.11Å; F286-Y290 AromaticContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CD2 3.85Å; F286-Y290 HydrophobicContact CZ-CG 4.42Å; F286-Y290 WeakPolarHBondContact O-CB 3.27Å; F286-Y290 PolarHBondContact O-N 3.07Å; R287-Y290 PolarHBondContact O-N 3.13Å; H288-Y290 VanDerWaalsContact C-N 3.34Å; H288-Y290 PolarHBondContact O-N 3.22Å; Y290-S292 VanDerWaalsContact C-N 3.26Å; Y290-S292 PolarHBondContact O-N 3.5Å; Y290-S293 WeakPolarHBondContact O-CB 3.2Å; Y290-S293 PolarHBondContact O-N 3.02Å; Y290-S293 VanDerWaalsContact O-N 3.11Å; Y290-S293 PolarHBondContact O-OG 3.05Å
291A91.3Very high90.4Very high27 Ų2753.5 Ų53.522%0.22329%0.285CS..Hα-helixtrans-65.5-24.1178.900000113.6E114 P115 R287 H288 L289E114-A291 HydrophobicContact CG-CB 3.97Å; P115-A291 WeakPolarHBondContact CD-O 3.4Å; P115-A291 WeakPolarHBondContact CG-O 3.45Å; R287-A291 PolarHBondContact O-N 3.16Å; H288-A291 WeakPolarHBondContact O-CB 3.36Å; H288-A291 PolarHBondContact O-N 3.18Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.39Å
292S90.4Very high88.3Confident69 Ų6950 Ų5048%0.48326%0.262SS..Hα-helixtrans-97.6-4.9173.160.70000113.4L289 Y290L289-S292 PolarHBondContact O-N 3.04Å; L289-S292 PolarHBondContact O-OG 3.3Å; Y290-S292 VanDerWaalsContact C-N 3.26Å; Y290-S292 PolarHBondContact O-N 3.5Å
293S94.5Very high85.9Confident5 Ų557.6 Ų57.64%0.03529%0.289CS..PPolyproline II helixtrans-76.4144.1-17271.60000114.4R221 S222 V223 L289 Y290R221-S293 PolarHBondContact NE-OG 3.18Å; R221-S293 PolarHBondContact NH2-O 3.07Å; S222-S293 CarbonylContact O-C 3.55Å; S222-S293 VanDerWaalsContact O-CA 3.28Å; S222-S293 WeakPolarHBondContact O-CA 3.47Å; V223-S293 VanDerWaalsContact CG1-CB 3.48Å; L289-S293 WeakPolarHBondContact O-CB 3.31Å; L289-S293 PolarHBondContact O-N 3.36Å; L289-S293 VanDerWaalsContact O-N 3.14Å; Y290-S293 WeakPolarHBondContact O-CB 3.2Å; Y290-S293 PolarHBondContact O-N 3.02Å; Y290-S293 VanDerWaalsContact O-N 3.11Å; Y290-S293 PolarHBondContact O-OG 3.05Å
294K94.2Very high83.5Confident105 Ų10561.6 Ų61.646%0.45731%0.31SS..EExtended strand (participates in β ladder)trans-103.7136.4177.9-57163.7-166.91570109.9R221 S222 E224R221-K294 CarbonylContact C-O 3.58Å; R221-K294 WeakPolarHBondContact CA-O 3.24Å; R221-K294 WeakPolarHBondContact CB-O 3.24Å; S222-K294 PolarHBondContact N-O 2.73Å; S222-K294 PolarHBondContact O-N 3.24Å; S222-K294 PolarHBondContact OG-O 2.86Å; E224-K294 IonicContact OE1-NZ 3.82Å; E224-K294 PolarHBondContact OE1-NZ 3.03Å; E224-K294 IonicContact OE2-NZ 2.76Å; E224-K294 PolarHBondContact OE2-NZ 3.5Å
295P93.8Very high80.8Confident84 Ų8462.6 Ų62.655%0.54532%0.323SS..EExtended strand (participates in β ladder)trans-66.3137.4179.528.2-33.7000111.1
296V93.6Very high77.8Confident51 Ų5164 Ų6431%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-110.2-61.8177.1176.10000110.3V198 I220V198-V296 HydrophobicContact CG1-CG1 3.77Å; V198-V296 HydrophobicContact CG1-CG2 4.18Å; V198-V296 HydrophobicContact CG2-CG2 4.29Å; I220-V296 HydrophobicContact CG2-CB 4.31Å; I220-V296 PolarHBondContact O-N 2.88Å
297M91.3Very high75Confident27 Ų2769.9 Ų69.913%0.13338%0.381CS..EExtended strand (participates in β ladder)trans-149.8163.2-179.362.6162.89.200112.5F201 C205 L215 I220F201-M297 HydrophobicContact CD1-SD 4.41Å; F201-M297 HydrophobicContact CE1-CG 4.26Å; F201-M297 HydrophobicContact CE1-SD 3.45Å; F201-M297 WeakPolarHBondContact CE1-SD 3.03Å; F201-M297 HydrophobicContact CZ-SD 4.08Å; C205-M297 HydrophobicContact CB-CE 4.29Å; L215-M297 HydrophobicContact CD1-CB 4.08Å; L215-M297 HydrophobicContact CD1-CE 3.64Å; L215-M297 HydrophobicContact CD1-CG 3.91Å; L215-M297 HydrophobicContact CD1-SD 3.53Å; L215-M297 VanDerWaalsContact CD1-SD 3.53Å; I220-M297 HydrophobicContact CB-CG 3.74Å; I220-M297 HydrophobicContact CD1-CG 3.68Å; I220-M297 HydrophobicContact CD1-SD 3.87Å; I220-M297 HydrophobicContact CG1-CG 4.14Å; I220-M297 HydrophobicContact CG2-CG 4.34Å; I220-M297 PolarHBondContact N-O 2.93Å; I220-M297 PolarHBondContact O-N 3.49Å
298G88Confident72.1Confident19 Ų1972.1 Ų72.120%0.19640%0.402CS..EExtended strand (participates in β ladder)trans78.3-144.5178.500000113.4I218 K300I218-G298 WeakPolarHBondContact O-CA 3.32Å; G298-K300 PolarHBondContact O-N 3.19Å
299L80.8Confident69.4Low41 Ų4173 Ų7322%0.21542%0.417CS..  trans-68.4103.3-168.8-171.758.2000111.9K216 I218 S219 S301 P302K216-L299 VanDerWaalsContact O-CD2 3.27Å; K216-L299 WeakPolarHBondContact O-CD2 3.38Å; I218-L299 WeakPolarHBondContact O-CB 3.44Å; I218-L299 PolarHBondContact O-N 2.93Å; S219-L299 WeakPolarHBondContact CB-O 3.2Å; S219-L299 PolarHBondContact OG-O 2.76Å; L299-S301 WeakPolarHBondContact CD1-O 3.29Å; L299-S301 WeakPolarHBondContact CG-O 3.42Å; L299-S301 PolarHBondContact O-N 2.87Å; L299-P302 HydrophobicContact CD2-CB 3.63Å; L299-P302 HydrophobicContact CD2-CG 4.19Å; L299-P302 HydrophobicContact CG-CB 4.24Å; L299-P302 HydrophobicContact CG-CG 4.36Å
300K71.6Confident66.6Low181 Ų18179.2 Ų79.279%0.78746%0.456SS*.SBendtrans-63.1-26.7-179.7-61.5-176.4-178-1800113.3G298G298-K300 PolarHBondContact O-N 3.19Å
301S60.1Low63.7Low57 Ų5782.3 Ų82.340%0.39949%0.489SS..SBendtrans-144.3103.7174.362.10000110L299 R303L299-S301 WeakPolarHBondContact CD1-O 3.29Å; L299-S301 WeakPolarHBondContact CG-O 3.42Å; L299-S301 PolarHBondContact O-N 2.87Å; S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.88Å
302P53.7Low61.1Low2 Ų286.4 Ų86.41%0.01352%0.523CS..  trans-65.682.4177.2-9.313.8000114.6L118 W121 L299 L304L118-P302 HydrophobicContact CD1-CB 3.28Å; L118-P302 VanDerWaalsContact CD1-CD 3.46Å; L118-P302 HydrophobicContact CD1-CG 3.36Å; L118-P302 WeakPolarHBondContact CD1-O 3.4Å; L118-P302 VanDerWaalsContact CD2-O 3.29Å; L118-P302 WeakPolarHBondContact CD2-O 3.37Å; L118-P302 HydrophobicContact CG-CG 4.48Å; W121-P302 HydrophobicContact CH2-CB 4.45Å; W121-P302 HydrophobicContact CH2-CG 3.88Å; W121-P302 HydrophobicContact CZ2-CB 3.86Å; W121-P302 HydrophobicContact CZ2-CG 3.79Å; L299-P302 HydrophobicContact CD2-CB 3.63Å; L299-P302 HydrophobicContact CD2-CG 4.19Å; L299-P302 HydrophobicContact CG-CB 4.24Å; L299-P302 HydrophobicContact CG-CG 4.36Å; P302-L304 PolarHBondContact O-N 2.87Å
303R46.2Very low58.4Low200 Ų20087.3 Ų87.376%0.75554%0.535SS*.  trans-81109.7168.4-67.3-174179.5-179.5-0.1108.4S301 V305S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.88Å; R303-V305 PolarHBondContact O-N 2.77Å; R303-V305 VanDerWaalsContact O-N 3.13Å
304L45.6Very low55.5Low87 Ų8793.2 Ų93.246%0.45557%0.573SS.*  trans-63.1109.6161.8-106152.7000107.5F188 P302 A306F188-L304 HydrophobicContact CD1-CG 4.22Å; F188-L304 HydrophobicContact CD2-CD1 4.08Å; F188-L304 HydrophobicContact CD2-CD2 3.4Å; F188-L304 VanDerWaalsContact CD2-CD2 3.4Å; F188-L304 HydrophobicContact CD2-CG 3.48Å; F188-L304 VanDerWaalsContact CD2-CG 3.48Å; F188-L304 HydrophobicContact CE1-CG 4.07Å; F188-L304 HydrophobicContact CE2-CB 4.41Å; F188-L304 HydrophobicContact CE2-CD1 4.4Å; F188-L304 HydrophobicContact CE2-CD2 2.99Å; F188-L304 HydrophobicContact CE2-CG 3.36Å; F188-L304 HydrophobicContact CG-CD1 4.4Å; F188-L304 HydrophobicContact CG-CD2 4.34Å; F188-L304 HydrophobicContact CG-CG 3.94Å; F188-L304 HydrophobicContact CZ-CB 4.28Å; F188-L304 HydrophobicContact CZ-CD2 3.62Å; F188-L304 HydrophobicContact CZ-CG 3.65Å; P302-L304 PolarHBondContact O-N 2.87Å; L304-A306 PolarHBondContact O-N 2.72Å
305V37.6Very low52.8Low122 Ų12292.5 Ų92.574%0.73959%0.587SS**PPolyproline II helixtrans-63.5120.6166.5179.80000106.3R303R303-V305 PolarHBondContact O-N 2.77Å; R303-V305 VanDerWaalsContact O-N 3.13Å
306A32.1Very low49.9Very low75 Ų7596.8 Ų96.862%0.6261%0.605SS**PPolyproline II helixtrans-52.3141.2176.600000109.9L304 V308L304-A306 PolarHBondContact O-N 2.72Å; A306-V308 PolarHBondContact O-N 2.64Å; A306-V308 VanDerWaalsContact O-N 3.15Å
307P36.8Very low46.9Very low125 Ų12598 Ų9881%0.81263%0.628SS**PPolyproline II helixtrans-57.7125.4176.122.3-30.1000108.9
308V32.1Very low44.1Very low123 Ų123108.6 Ų108.675%0.74567%0.666SS**PPolyproline II helixtrans-53.4124172.8176.10000107.6A306 T310A306-V308 PolarHBondContact O-N 2.64Å; A306-V308 VanDerWaalsContact O-N 3.15Å; V308-T310 PolarHBondContact O-N 3.38Å
309P35Very low41.5Very low118 Ų118115.9 Ų115.977%0.76670%0.7SS**  trans-63.8113.5170.1-1.211.2000107.1G311P309-G311 PolarHBondContact O-N 3.32Å; P309-G311 VanDerWaalsContact O-N 3.16Å
310T36.1Very low39Very low141 Ų141119.4 Ų119.487%0.86573%0.728SS**PPolyproline II helixtrans-55121.9165.819.60000107.7V308V308-T310 PolarHBondContact O-N 3.38Å
311G33Very low37Very low70 Ų70116.1 Ų116.172%0.72273%0.728SS**PPolyproline II helixtrans-52.1140.9-171.400000113.1P309 A313P309-G311 PolarHBondContact O-N 3.32Å; P309-G311 VanDerWaalsContact O-N 3.16Å; G311-A313 PolarHBondContact O-N 3.17Å
312A36Very low35.6Very low112 Ų112118.7 Ų118.793%0.92675%0.746SS**PPolyproline II helixtrans-55.4124.2168.700000110.4
313A35.1Very low34.6Very low89 Ų89124.8 Ų124.874%0.73679%0.788SS**  trans-109.6146.5160.700000108.7G311G311-A313 PolarHBondContact O-N 3.17Å
314P33.9Very low33.7Very low128 Ų128119 Ų11983%0.83179%0.791SS**  trans-76.8152.3-157.330.4-34.2000113.3
315A37.1Very low32.9Very low91 Ų91120.7 Ų120.775%0.75281%0.81SS**  trans-60.9133.7173.900000111.8
316N32.2Very low32.7Very low174 Ų174119 Ų11993%0.9381%0.81SS**  trans-167.1139.1143.3-96.8-21.2000111.4
317G30.1Very low32.8Very low77 Ų77120.5 Ų120.579%0.79482%0.815SS**  trans109.780.1155.300000117
318R32.8Very low32.6Very low248 Ų248121.4 Ų121.494%0.93681%0.813SS**  trans-47.9144.2156-84.2175.4164.2-165.5-4.1111.3
319L33.3Very low32.8Very low172 Ų172128 Ų12890%0.90183%0.825SS**  -164.6136.5119.9-91.8177.2000110.5
320S28.8Very low32.6Very low116 Ų116128.2 Ų128.281%0.81182%0.824SS**  trans-51.5160.8172.3-46.50000112.5
321S29.6Very low32.8Very low111 Ų111125.7 Ų125.778%0.77681%0.813SS**  cis-171.3154.732.745.40000105.2
322S30.1Very low33.2Very low112 Ų112126.8 Ų126.878%0.78381%0.809SS**  173156.465.251.60000109.3
323S32.5Very low33.9Very low129 Ų129125.3 Ų125.390%0.90279%0.785SS**  trans-30.3145.7175.2-53.50000119.7
324G28.2Very low34.6Very low79 Ų79122 Ų12281%0.81476%0.757SS**  trans-175.5101.5164.200000113.5
325S29.2Very low35.6Very low122 Ų122117.1 Ų117.185%0.85372%0.722SS**  trans-23.2148.4172.8-155.60000120.2
326A33.2Very low36.2Very low88 Ų88116.6 Ų116.673%0.72771%0.713SS**  trans-52.5144.9165.900000114.5
327S32.9Very low36.5Very low106 Ų106111.5 Ų111.574%0.74170%0.701SS**  trans-177.7132.2131.733.40000112.3
328D33.6Very low36.8Very low144 Ų144116.1 Ų116.177%0.7771%0.707SS**  trans59.593.3143.2-55.2-20.1000120.8T330D328-T330 VanDerWaalsContact C-N 3.29Å; D328-T330 PolarHBondContact O-N 3.15Å
329R35.5Very low36.6Very low260 Ų260110.6 Ų110.698%0.98171%0.707SS**  trans-70.785.2152.4-72.3-176.9173.5169.6-1.4109.6S331R329-S331 PolarHBondContact O-N 3.4Å
330T32.5Very low36.6Very low124 Ų124107.2 Ų107.276%0.76170%0.703SS**  trans-67.1118.7167.1-52.70000109.1D328 S332D328-T330 VanDerWaalsContact C-N 3.29Å; D328-T330 PolarHBondContact O-N 3.15Å; T330-S332 PolarHBondContact O-N 3.07Å
331S39.5Very low36.5Very low88 Ų88105.6 Ų105.662%0.61571%0.705SS**  trans-59.1106.6172.466.40000109.1R329 N333R329-S331 PolarHBondContact O-N 3.4Å; S331-N333 PolarHBondContact O-N 3.03Å; S331-N333 VanDerWaalsContact O-N 3.15Å
332S42.1Very low36.5Very low93 Ų93105.2 Ų105.265%0.6570%0.703SS**  trans-62.7120172.452.20000108.5R250 T330 P334R250-S332 PolarHBondContact NH2-O 3.24Å; R250-S332 VanDerWaalsContact NH2-O 3.12Å; T330-S332 PolarHBondContact O-N 3.07Å; S332-P334 WeakPolarHBondContact O-CD 3.22Å
333N49.3Very low36.9Very low80 Ų80108.5 Ų108.543%0.42871%0.705SS.*  trans-77.3118.4175.5-162.31.5000107.1K273 S331 F335 S336K273-N333 PolarHBondContact NZ-OD1 2.8Å; S331-N333 PolarHBondContact O-N 3.03Å; S331-N333 VanDerWaalsContact O-N 3.15Å; N333-F335 PolarHBondContact O-N 3.09Å; N333-S336 PolarHBondContact O-N 3.37Å
334P49.7Very low37.2Very low20 Ų20108.3 Ų108.313%0.1370%0.701CS.*THydrogen-bonded Turntrans-68.51.8-173.324.6-32.6000114.2R153 R157 F251 S332R153-P334 WeakPolarHBondContact CD-O 3.4Å; R157-P334 VanDerWaalsContact NH1-C 3.32Å; R157-P334 VanDerWaalsContact NH1-CA 3.31Å; R157-P334 PolarHBondContact NH1-O 2.91Å; F251-P334 HydrophobicContact CE1-CG 4.16Å; F251-P334 HydrophobicContact CZ-CG 4.48Å; S332-P334 WeakPolarHBondContact O-CD 3.22Å
335F56.3Low37.4Very low26 Ų26115.5 Ų115.511%0.11470%0.703CS.*THydrogen-bonded Turntrans-114.3-0.3179.2-58.2-78.9000113.9L150 F251 L253 K273 N333 G337L150-F335 HydrophobicContact CB-CE1 4.41Å; L150-F335 HydrophobicContact CD2-CD1 3.4Å; L150-F335 HydrophobicContact CD2-CE1 3.74Å; L150-F335 HydrophobicContact CD2-CG 4.36Å; F251-F335 HydrophobicContact CE2-CE2 4.04Å; F251-F335 HydrophobicContact CE2-CZ 4.03Å; F251-F335 HydrophobicContact CZ-CE2 4.29Å; F251-F335 HydrophobicContact CZ-CZ 4.33Å; L253-F335 HydrophobicContact CD1-CZ 4.41Å; L253-F335 HydrophobicContact CD2-CZ 4.45Å; K273-F335 HydrophobicContact CD-CD2 3.85Å; K273-F335 HydrophobicContact CD-CE2 3.61Å; K273-F335 VanDerWaalsContact NZ-CD2 3.3Å; N333-F335 PolarHBondContact O-N 3.09Å; F335-G337 PolarHBondContact O-N 2.96Å
336S49.2Very low37.3Very low80 Ų80116.3 Ų116.356%0.55970%0.703SS**  trans-74.6112.7174.2-62.60000110.1N333N333-S336 PolarHBondContact O-N 3.37Å
337G38.6Very low37.2Very low66 Ų66123.1 Ų123.168%0.6871%0.71SS**  trans-73.8134.6169.600000110.7F335 S339F335-G337 PolarHBondContact O-N 2.96Å; G337-S339 PolarHBondContact O-N 3.21Å
338L35.2Very low36.9Very low174 Ų174122.7 Ų122.791%0.91171%0.707SS**  trans-72112.2171.1-73.2160.2000108.8A340L338-A340 PolarHBondContact O-N 2.92Å
339S30.4Very low36.8Very low133 Ų133121.8 Ų121.893%0.9371%0.706SS**  trans-75.7102.1159.2-76.40000108G337G337-S339 PolarHBondContact O-N 3.21Å
340A32.4Very low36.4Very low100 Ų100114.8 Ų114.883%0.82670%0.697SS**  trans-96131169.200000109.5L338L338-A340 PolarHBondContact O-N 2.92Å
341G27.6Very low36.3Very low83 Ų83114.1 Ų114.186%0.85670%0.704SS**  trans152.674.8157.400000116
342S29.5Very low35.8Very low103 Ų103114.8 Ų114.872%0.7271%0.709SS**  trans-124.5109.5155.944.10000111.4
343H36.7Very low35.3Very low181 Ų181116.4 Ų116.484%0.83872%0.72SS**  trans70150.9145.5-61.4-45.3000119.6
344P39.1Very low34.4Very low124 Ų124116.2 Ų116.281%0.80574%0.737SS**  cis-144.4174.641.736.2-12.5000119.3
345R33Very low34.1Very low231 Ų231121.7 Ų121.787%0.87277%0.773SS**  trans-57.4144.1171.6-88.6176.7155.5-169.2-4.1113.1
346T28Very low32.8Very low138 Ų138123.9 Ų123.985%0.84780%0.802SS**  173.3144.610629.80000114.1
347R30.1Very low32.3Very low232 Ų232125.9 Ų125.988%0.87582%0.816SS**  trans89.3101.1148.3-112.5179.2156.1178.3-7.1122.6
348S27.6Very low32.6Very low96 Ų96128.7 Ų128.767%0.67182%0.823SS**  76.7129.2119.8680000123.6
349V29.6Very low32.5Very low125 Ų125127.1 Ų127.176%0.75882%0.821SS**  132.2111.7128.7-175.90000114.6
350S27.3Very low32.9Very low114 Ų114124.7 Ų124.780%0.79781%0.808SS**  trans52.1125.2142.4-48.90000123.6
351A31.2Very low33.5Very low109 Ų109125.9 Ų125.990%0.90181%0.808SS**  -170153.6115.900000111.6
352S29.8Very low34.2Very low103 Ų103130.6 Ų130.672%0.7281%0.807SS**  trans-92.9150.7-162.652.40000116
353S31.6Very low35.2Very low127 Ų127131 Ų13189%0.88881%0.808SS**  trans51.1120135.7-41.30000122.7
354G30.5Very low36.1Very low76 Ų76128.2 Ų128.278%0.78481%0.805SS**  trans172141.8150.700000113.4
355P43.2Very low37Very low135 Ų135127.9 Ų127.988%0.87780%0.803SS**  trans-111.4150.3-145.137.8-27.5000117.2
356G28.2Very low37.7Very low71 Ų71122.6 Ų122.673%0.73280%0.799SS**  86114.6126.100000121.8
357S38.8Very low38.3Very low122 Ų122121.5 Ų121.585%0.85379%0.794SS**  trans133.3157.4133.6-52.70000114
358P44.1Very low38.5Very low126 Ų126122.1 Ų122.182%0.81880%0.796SS**  -119.8173-82.828.9-9.1000114.4
359T33.2Very low38.7Very low141 Ų141127.3 Ų127.387%0.86581%0.807SS**  trans-53.2136.5-175.3-24.50000116.1
360A40.2Very low39Very low81 Ų81129 Ų12967%0.66981%0.807SS**  trans-116.2137.315800000109.3
361P44.1Very low39.3Very low126 Ų126129.5 Ų129.582%0.81881%0.807SS**PPolyproline II helixtrans-78.5135-173.129.7-32.7000112.4
362H41.8Very low39.3Very low181 Ų181132.8 Ų132.884%0.83880%0.803SS**PPolyproline II helixtrans-73.6143.1169.7-76.9-82.2000111.4
363P50.3Low39.3Very low113 Ų113137.3 Ų137.373%0.73481%0.813SS**PPolyproline II helixtrans-75.6149.3172.330.6-32.3000111.7
364P57.1Low39.1Very low121 Ų121134.5 Ų134.579%0.78680%0.804SS**PPolyproline II helixtrans-75.4148.4-179.530.1-33.8000112.5
365P57.6Low39.6Very low118 Ų118136.4 Ų136.477%0.76680%0.803SS**PPolyproline II helixtrans-77.3152.7174.630.8-33.1000112.6
366P47.3Very low38.9Very low119 Ų119142.7 Ų142.777%0.77381%0.809SS**PPolyproline II helixtrans-72.5154.6-177.329.4-34.7000113.1
367P41.7Very low38.9Very low115 Ų115142.8 Ų142.875%0.74781%0.81SS**PPolyproline II helixtrans-75.6140.8-174.129.6-32.6000112.8
368R33.8Very low38.6Very low245 Ų245141.8 Ų141.893%0.92581%0.809SS**PPolyproline II helixtrans-71.2124.7168.4-86.3178.1175.2142.4-1.5110
369F30.5Very low38.3Very low206 Ų206141.8 Ų141.890%0.90481%0.809SS**PPolyproline II helixtrans-73.8125.3165.9-85.3-91.7000110.5
370Q37.2Very low38.4Very low161 Ų161140.4 Ų140.475%0.75281%0.805SS**  trans-105.2132.6160-77.5-168.3-25.700108.7
371P33.3Very low38.1Very low123 Ų123142.2 Ų142.280%0.79981%0.81SS**PPolyproline II helixtrans-84.7125.4166.5-4.923.3000110.3
372H30.8Very low37.4Very low178 Ų178145.6 Ų145.682%0.82482%0.815SS**PPolyproline II helixtrans-67.8145.6173.2-70.9-38.3000112.7
373H30.6Very low36.8Very low198 Ų198140.9 Ų140.992%0.91781%0.807SS**PPolyproline II helixtrans-82.6144.8171.5-83.1-85.1000112.4
374G27.5Very low35.6Very low69 Ų69144 Ų14471%0.71181%0.812SS**  trans125.5160.3147.300000115.3
375P39.6Very low34.2Very low116 Ų116148.1 Ų148.175%0.75382%0.818SS**  cis-135.1147.8-48.335.6-21.5000111.8
376W28.8Very low32.8Very low267 Ų267147.7 Ų147.7100%1.01182%0.818SS**  trans-175.1137.9149-103.74.7000114.7
377G28.4Very low32Very low72 Ų72148.2 Ų148.274%0.74282%0.821SS**  trans91104.113800000118.5
378A33.6Very low31.4Very low101 Ų101154.3 Ų154.384%0.83583%0.829SS**  trans-64.6158.5160.700000111.8
379P36.4Very low31.5Very low127 Ų127147.7 Ų147.783%0.82582%0.817SS**  -142.6172.3107.331.9-13.3000115.8
380S34.9Very low31.4Very low112 Ų112147.2 Ų147.278%0.78382%0.818SS**  trans-62.9166.5-168.146.10000119
381P35Very low31Very low119 Ų119147.6 Ų147.677%0.77383%0.825SS**  trans-105.7133.6-175.436.9-26.1000114.3
382Q29.2Very low30.6Very low197 Ų197145.6 Ų145.692%0.92183%0.827SS**  trans-162.9147.7159.8-77.7-161.5-16.400107.6
383A28.4Very low30.4Very low82 Ų82145.2 Ų145.268%0.67883%0.83SS**  cis-157157.1-2.600000108.5
384H25.8Very low30.9Very low179 Ų179141.2 Ų141.283%0.82982%0.822SS**  trans-65.2140.6173.3-72.9-86.5000112.9
385F26.9Very low30.8Very low207 Ų207142.9 Ų142.991%0.90883%0.828SS**  trans-136.2119.6153.2-87.2-80.5000110.4
386S28.5Very low30.1Very low109 Ų109141.8 Ų141.876%0.76283%0.829SS**PPolyproline II helixtrans-88.7152.3173-51.20000110.6
387P31.1Very low30Very low129 Ų129137.2 Ų137.284%0.83882%0.823SS**PPolyproline II helixtrans-101.3135.7157.622.6-6.7000111
388R29.8Very low29.9Very low244 Ų244143.6 Ų143.692%0.92183%0.827SS**PPolyproline II helixtrans-104158.5167.5-101.1-168.3179.4178.90.9110.6
389P34.6Very low29.5Very low105 Ų105144 Ų14468%0.68282%0.824SS**PPolyproline II helixtrans-93.8162-162.837.7-33.8000113.3
390H28.1Very low29Very low197 Ų197145.1 Ų145.191%0.91282%0.823SS**  trans-127.4122.3164.8-93.16.3000110.3
391D28.8Very low28.7Very low169 Ų169148 Ų14890%0.90483%0.828SS**  trans-91147.9169.7-80.1-44.5000110.8
392G24.8Very low28.3Very low81 Ų81145.7 Ų145.784%0.83583%0.826SS**  trans162.396.9165.400000115.4
393L28.1Very low28.4Very low170 Ų170141 Ų14189%0.8982%0.821SS**  trans-84.8179.9169.4-87.8155.7000111.9
394P40.8Very low28.7Very low114 Ų114144.1 Ų144.174%0.7482%0.816SS**  cis-137.4-179.1-19.629.5-6.5000115.8
395A24.4Very low29.1Very low103 Ų103144.5 Ų144.585%0.85181%0.81SS**  trans88.6111.2151.600000120.6
396A24.6Very low29.2Very low93 Ų93138.7 Ų138.777%0.76979%0.793SS**  trans-166123.4132.600000110.5Y398A396-Y398 PolarHBondContact O-N 2.69Å
397L27.4Very low29.8Very low171 Ų171137.9 Ų137.990%0.89578%0.784SS**  trans-58.5125.7168.9-72.3151.5000110.2
398Y26.8Very low30.1Very low206 Ų206142.5 Ų142.581%0.80879%0.785SS**  trans-137107.4154.3-97.7-84000109.5A396 N400A396-Y398 PolarHBondContact O-N 2.69Å; Y398-N400 PolarHBondContact O-N 3.46Å
399S26Very low30.4Very low111 Ų111134.8 Ų134.878%0.77676%0.761SS**  trans-54.6110.9158.3-600000108.8
400N24.9Very low30.5Very low150 Ų150135.5 Ų135.580%0.80276%0.755SS**  trans-102.397.1166.9-96.2-40.7000108.4Y398 G402Y398-N400 PolarHBondContact O-N 3.46Å; N400-G402 VanDerWaalsContact C-N 3.29Å; N400-G402 PolarHBondContact O-N 2.97Å
401L28.8Very low30.8Very low171 Ų171131.9 Ų131.990%0.89574%0.742SS**  trans-66.693157-86.1148.1000107.1A403L401-A403 PolarHBondContact O-N 2.79Å; L401-A403 VanDerWaalsContact O-N 3.15Å
402G27.4Very low31.2Very low71 Ų71131.5 Ų131.573%0.73274%0.735SS**  trans-72.999.8175.400000110.2N400 Y404N400-G402 VanDerWaalsContact C-N 3.29Å; N400-G402 PolarHBondContact O-N 2.97Å; G402-Y404 PolarHBondContact O-N 3.28Å; G402-Y404 VanDerWaalsContact O-N 3.1Å
403A30Very low31.9Very low98 Ų98135.2 Ų135.281%0.8173%0.731SS**  trans-63.3105.6161.400000108.4L401 R405L401-A403 PolarHBondContact O-N 2.79Å; L401-A403 VanDerWaalsContact O-N 3.15Å; A403-R405 PolarHBondContact O-N 2.91Å
404Y36Very low32.4Very low149 Ų149133.2 Ų133.258%0.58472%0.72SS**PPolyproline II helixtrans-67.6125.3176.6179.5-107.5000109.9G402G402-Y404 PolarHBondContact O-N 3.28Å; G402-Y404 VanDerWaalsContact O-N 3.1Å
405R33.5Very low32.3Very low187 Ų187131.2 Ų131.271%0.70672%0.721SS**PPolyproline II helixtrans-101.7131167.8-79.1-175.1178.9-172.42.4107.7A403 L409A403-R405 PolarHBondContact O-N 2.91Å; R405-L409 HydrophobicContact CB-CD1 4.31Å; R405-L409 HydrophobicContact CG-CD1 4.34Å
406P29.8Very low33.2Very low84 Ų84134.1 Ų134.155%0.54572%0.721SS.*PPolyproline II helixtrans-58.1148.2180-20.930.6000112.3R408 L409P406-R408 PolarHBondContact O-N 3.45Å; P406-L409 PolarHBondContact O-N 2.73Å
407T39.3Very low33.7Very low92 Ų92135.4 Ų135.456%0.56472%0.719SS**G310 helixtrans-52.6-11.3-178.6-34.90000114.7L409 Q410T407-L409 PolarHBondContact O-N 3.43Å; T407-Q410 PolarHBondContact O-N 3.33Å
408R37.9Very low34.1Very low227 Ų227131.1 Ų131.186%0.85770%0.701SS**G310 helixtrans-66-21.8171.9-143.2-177.3-170.2-157.42.8113.6P406P406-R408 PolarHBondContact O-N 3.45Å
409L36.8Very low34.3Very low82 Ų82133 Ų13343%0.42971%0.707SS.*G310 helixtrans-93.8-6.6175.6-74.4170.5000114R405 P406 T407 L411 E412R405-L409 HydrophobicContact CB-CD1 4.31Å; R405-L409 HydrophobicContact CG-CD1 4.34Å; P406-L409 PolarHBondContact O-N 2.73Å; T407-L409 PolarHBondContact O-N 3.43Å; L409-L411 PolarHBondContact O-N 2.99Å; L409-E412 PolarHBondContact O-N 3.15Å
410Q35.4Very low34.7Very low119 Ų119135.1 Ų135.156%0.55671%0.709SS**G310 helixtrans-75.5-11.2177.4-143.8171.615.900112.6T407 E412 Q413T407-Q410 PolarHBondContact O-N 3.33Å; Q410-E412 PolarHBondContact O-N 3.17Å; Q410-Q413 PolarHBondContact O-N 3.12Å
411L35.9Very low35Very low122 Ų122133.9 Ų133.964%0.63971%0.707SS**G310 helixtrans-68.5-17.8173.6-155.972.2000112.7L409 Q413 L414L409-L411 PolarHBondContact O-N 2.99Å; L411-Q413 VanDerWaalsContact C-N 3.31Å; L411-L414 HydrophobicContact CD1-CD1 4.48Å
412E37.2Very low35.2Very low161 Ų161131.4 Ų131.475%0.75270%0.701SS**G310 helixtrans-78.5-10.8174.7-70.4-165.7139.200113.9L409 Q410L409-E412 PolarHBondContact O-N 3.15Å; Q410-E412 PolarHBondContact O-N 3.17Å
413Q38.2Very low35.4Very low159 Ų159133.8 Ų133.874%0.74370%0.702SS**G310 helixtrans-90.8-2.9178-84.3176.3-28.100114.4Q410 L411 G415Q410-Q413 PolarHBondContact O-N 3.12Å; L411-Q413 VanDerWaalsContact C-N 3.31Å; Q413-G415 VanDerWaalsContact C-N 3.35Å; Q413-G415 PolarHBondContact O-N 3.34Å
414L38.6Very low35.2Very low127 Ų127140.9 Ų140.967%0.66571%0.707SS**SBendtrans-91.471.3170.1-69.7168.8000109.7L411 L416L411-L414 HydrophobicContact CD1-CD1 4.48Å; L414-L416 PolarHBondContact O-N 3.28Å
415G38.7Very low35Very low73 Ų73144.5 Ų144.575%0.75372%0.72SS**  trans-24.977.8-179.900000118.5Q413Q413-G415 VanDerWaalsContact C-N 3.35Å; Q413-G415 PolarHBondContact O-N 3.34Å
416L44.4Very low34.9Very low164 Ų164141 Ų14186%0.85972%0.721SS**  trans-139.458.6175.6-73.3176000112.3L414L414-L416 PolarHBondContact O-N 3.28Å
417V34.5Very low34.9Very low119 Ų119146.6 Ų146.672%0.72174%0.737SS**  trans-143.9136.4152.9-176.10000110.6
418P36.1Very low34.4Very low82 Ų82149.7 Ų149.753%0.53275%0.75SS.*  trans-76.4143.8-178.7-6.624000112.6L420P418-L420 PolarHBondContact O-N 3.3Å
419R31.4Very low34.1Very low245 Ų245147.4 Ų147.493%0.92575%0.749SS**  trans-62.4121.8168.7-65.7-174.3-178.9-143.10.6110.2
420L33.6Very low33.6Very low156 Ų156148.1 Ų148.182%0.81777%0.767SS**  trans-118.2110.8159.1-81.2166.5000108P418P418-L420 PolarHBondContact O-N 3.3Å
421T30.9Very low33.6Very low123 Ų123148 Ų14876%0.75578%0.778SS**  trans-76.6131.6167.544.50000109.9
422P32.9Very low33.9Very low119 Ų119146.7 Ų146.777%0.77378%0.778SS**  trans-101.1105.8155.130.7-18.9000108.8W424P422-W424 PolarHBondContact O-N 3.03Å
423T31.7Very low33.5Very low122 Ų122146.9 Ų146.975%0.74878%0.778SS**  trans-77.7105.616142.10000108.7
424W25.7Very low33.3Very low246 Ų246152.3 Ų152.393%0.93280%0.8SS**  trans-143.5109.9158.3-80.494.1000108.5P422P422-W424 PolarHBondContact O-N 3.03Å
425R31.4Very low33.1Very low226 Ų226153.6 Ų153.685%0.85381%0.807SS**  trans-94.7147.2164.2-81.9-161.1-167.1-119.86.5109.2
426P32.5Very low32.8Very low112 Ų112157.8 Ų157.873%0.72781%0.81SS**  trans-88.8142.2175.735.1-29.7000110.5
427F28.7Very low32.1Very low202 Ų202157.5 Ų157.589%0.88681%0.807SS**  trans-139.8122.3153.3-90.6-76000109.9
428L30.1Very low32Very low158 Ų158159.8 Ų159.883%0.82781%0.812SS**  trans-75.7132.8168.3-84.9156.5000109.8
429Q30.7Very low31.7Very low179 Ų179164.6 Ų164.684%0.83683%0.829SS**  trans63.1110.5131.1-156.8172.14.500120.1
430A27.8Very low31.7Very low97 Ų97159.3 Ų159.380%0.80282%0.823SS**  -174.8122.212400000110.9
431S33.4Very low31.6Very low115 Ų115159.5 Ų159.580%0.80482%0.823SS**  trans-66.1164.4153.4-44.80000108.9
432P42.9Very low31.6Very low96 Ų96162.3 Ų162.362%0.62383%0.829SS**  -153.6178.456.333.1-7.2000117.3
433H28.9Very low31.5Very low165 Ų165165.9 Ų165.976%0.76483%0.833SS**  trans70.3132.1161.5-50.9-57.5000115.9
434F34.6Very low31.5Very low273 Ų273169.9 Ų169.9100%1.19784%0.841SS**  cis-144.6019.5-116-83.9000109.2

Retrieved 434 of 434 residues in 129.7 ms (Link to these results)