A0A077ZKT3_TRITR Loading...

Nuclear migration protein nudC

AlphaFold DB , UniProt , Accession A0A077ZKT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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
1M53.4Low80.8Confident220 Ų220125.9 Ų125.9100%1.08464%0.636SS**  0-33.20-66.9-174.3-134.500113.5S3 W4M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.97Å; M1-W4 PolarHBondContact O-N 3.07Å
2C64.7Low81.4Confident102 Ų102121.7 Ų121.769%0.68962%0.616SS**Hα-helixtrans-57.3-21.2-171.3-48.60000117.8W4 A6C2-W4 PolarHBondContact O-N 2.89Å; C2-A6 PolarHBondContact O-N 2.75Å
3S79Confident81.8Confident105 Ų105116.6 Ų116.673%0.73461%0.605SS**Hα-helixtrans-62.1-41.3-178.7172.40000113.4M1 L7M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.97Å; S3-L7 PolarHBondContact O-N 2.87Å
4W82.3Confident82.2Confident186 Ų186121 Ų12171%0.70561%0.611SS**Hα-helixtrans-75.4-36.9-173.3-132.789.8000112.5M1 C2 L7 I8M1-W4 PolarHBondContact O-N 3.07Å; C2-W4 PolarHBondContact O-N 2.89Å; W4-L7 WeakPolarHBondContact O-CB 3.38Å; W4-L7 PolarHBondContact O-N 3.37Å; W4-I8 HydrophobicContact CE3-CD1 3.65Å; W4-I8 HydrophobicContact CE3-CG1 3.72Å; W4-I8 HydrophobicContact CZ3-CD1 3.64Å; W4-I8 HydrophobicContact CZ3-CG1 3.69Å; W4-I8 PolarHBondContact O-N 3.23Å; W4-I8 VanDerWaalsContact O-N 3.14Å
5Q87.2Confident82.5Confident123 Ų123121.5 Ų121.558%0.57561%0.608SS**Hα-helixtrans-63-46.4176-71.2171.6-53.700111.4L7 I8 E9Q5-L7 PolarHBondContact O-N 3.18Å; Q5-I8 PolarHBondContact O-N 3.04Å; Q5-I8 VanDerWaalsContact O-N 3.15Å; Q5-E9 WeakPolarHBondContact O-CG 3.03Å; Q5-E9 PolarHBondContact O-N 2.93Å
6A84.8Confident82.8Confident46 Ų46119.6 Ų119.638%0.3860%0.6SS.*Hα-helixtrans-61.3-27.3176.300000113.4C2 K10C2-A6 PolarHBondContact O-N 2.75Å; A6-K10 WeakPolarHBondContact O-CG 3.04Å; A6-K10 PolarHBondContact O-N 2.73Å
7L85Confident83.2Confident111 Ų111116.9 Ų116.958%0.58159%0.591SS**Hα-helixtrans-74.3-44.1174.5-173.165.1000111.9S3 W4 Q5 K10 F11S3-L7 PolarHBondContact O-N 2.87Å; W4-L7 WeakPolarHBondContact O-CB 3.38Å; W4-L7 PolarHBondContact O-N 3.37Å; Q5-L7 PolarHBondContact O-N 3.18Å; L7-K10 PolarHBondContact O-N 3.14Å; L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 PolarHBondContact O-N 3.18Å
8I87.5Confident83.4Confident75 Ų75112.5 Ų112.539%0.38558%0.58SS.*Hα-helixtrans-60-46.9174.3-60.9174.3000110.5W4 Q5 K10 F11 N12W4-I8 HydrophobicContact CE3-CD1 3.65Å; W4-I8 HydrophobicContact CE3-CG1 3.72Å; W4-I8 HydrophobicContact CZ3-CD1 3.64Å; W4-I8 HydrophobicContact CZ3-CG1 3.69Å; W4-I8 PolarHBondContact O-N 3.23Å; W4-I8 VanDerWaalsContact O-N 3.14Å; Q5-I8 PolarHBondContact O-N 3.04Å; Q5-I8 VanDerWaalsContact O-N 3.15Å; I8-K10 PolarHBondContact O-N 3.02Å; I8-F11 PolarHBondContact O-N 2.84Å; I8-F11 VanDerWaalsContact O-N 3.14Å; I8-N12 WeakPolarHBondContact CG2-ND2 3.21Å; I8-N12 PolarHBondContact O-N 3.29Å
9E86.9Confident83.7Confident138 Ų138112.3 Ų112.365%0.64558%0.579SS**Hα-helixtrans-59-45.9-178.8-74.7173.5-176.500111.6Q5 N12 A13Q5-E9 WeakPolarHBondContact O-CG 3.03Å; Q5-E9 PolarHBondContact O-N 2.93Å; E9-N12 PolarHBondContact O-N 3.38Å; E9-A13 WeakPolarHBondContact O-CB 3.42Å; E9-A13 PolarHBondContact O-N 2.93Å
10K88.6Confident84Confident138 Ų138114 Ų11460%0.658%0.582SS**Hα-helixtrans-60.2-46.5172.8-76.9-177.8177.5-176.10111.9A6 L7 I8 N12 A13 Y14A6-K10 WeakPolarHBondContact O-CG 3.04Å; A6-K10 PolarHBondContact O-N 2.73Å; L7-K10 PolarHBondContact O-N 3.14Å; I8-K10 PolarHBondContact O-N 3.02Å; K10-N12 PolarHBondContact O-N 3.16Å; K10-A13 PolarHBondContact O-N 3.29Å; K10-Y14 WeakPolarHBondContact O-CD2 3.45Å; K10-Y14 PolarHBondContact O-N 3.35Å
11F89.6Confident84.3Confident141 Ų141113 Ų11362%0.61858%0.578SS**Hα-helixtrans-59.6-45.3180-179.5-95.7000112.2L7 I8 Y14 K15L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 PolarHBondContact O-N 3.18Å; I8-F11 PolarHBondContact O-N 2.84Å; I8-F11 VanDerWaalsContact O-N 3.14Å; F11-Y14 PolarHBondContact O-N 2.91Å; F11-K15 WeakPolarHBondContact O-CB 3.17Å; F11-K15 PolarHBondContact O-N 3.41Å
12N87.8Confident85.9Confident75 Ų75105.3 Ų105.340%0.40155%0.549SS..Hα-helixtrans-64.9-42.5177.4-73-22.6000112I8 E9 K10 Y14 K15 D16I8-N12 WeakPolarHBondContact CG2-ND2 3.21Å; I8-N12 PolarHBondContact O-N 3.29Å; E9-N12 PolarHBondContact O-N 3.38Å; K10-N12 PolarHBondContact O-N 3.16Å; N12-Y14 PolarHBondContact O-N 2.82Å; N12-K15 WeakPolarHBondContact O-CB 3.47Å; N12-K15 PolarHBondContact O-N 2.81Å; N12-D16 PolarHBondContact O-N 3.43Å
13A86.1Confident87.3Confident56 Ų56104.1 Ų104.146%0.46354%0.535SS..Hα-helixtrans-60.1-44175.300000112.2E9 K10 D16 V17E9-A13 WeakPolarHBondContact O-CB 3.42Å; E9-A13 PolarHBondContact O-N 2.93Å; K10-A13 PolarHBondContact O-N 3.29Å; A13-D16 PolarHBondContact O-N 3.14Å; A13-V17 WeakPolarHBondContact O-CG2 3.47Å; A13-V17 PolarHBondContact O-N 2.73Å; A13-V17 VanDerWaalsContact O-N 3.1Å
14Y88.3Confident87.9Confident178 Ų178102.6 Ų102.670%0.69853%0.525SS*.Hα-helixtrans-67.7-35.7175.7-80.7-65.5000113K10 F11 N12 V17 G18K10-Y14 WeakPolarHBondContact O-CD2 3.45Å; K10-Y14 PolarHBondContact O-N 3.35Å; F11-Y14 PolarHBondContact O-N 2.91Å; N12-Y14 PolarHBondContact O-N 2.82Å; Y14-V17 PolarHBondContact O-N 3.2Å; Y14-G18 PolarHBondContact O-N 2.9Å
15K85.7Confident88.2Confident129 Ų129100.4 Ų100.456%0.56152%0.52SS*.Hα-helixtrans-59.8-47.1174.2-179.9-174.4173.7-172.80111.3F11 N12 G18 L19F11-K15 WeakPolarHBondContact O-CB 3.17Å; F11-K15 PolarHBondContact O-N 3.41Å; N12-K15 WeakPolarHBondContact O-CB 3.47Å; N12-K15 PolarHBondContact O-N 2.81Å; K15-G18 PolarHBondContact O-N 3.22Å; K15-L19 WeakPolarHBondContact O-CB 3.47Å; K15-L19 PolarHBondContact O-N 2.88Å
16D88.5Confident88.1Confident90 Ų9098.4 Ų98.448%0.48151%0.511SS..Hα-helixtrans-68.3-38.2-179.5-72.6-9000112.4N12 A13 K20N12-D16 PolarHBondContact O-N 3.43Å; A13-D16 PolarHBondContact O-N 3.14Å; D16-K20 WeakPolarHBondContact O-CB 3.47Å; D16-K20 VanDerWaalsContact O-CG 3.26Å; D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.28Å
17V89Confident88.5Confident75 Ų75104.3 Ų104.346%0.45552%0.523SS..Hα-helixtrans-64.6-44172.5171.30000111A13 Y14 L19 K20 N21A13-V17 WeakPolarHBondContact O-CG2 3.47Å; A13-V17 PolarHBondContact O-N 2.73Å; A13-V17 VanDerWaalsContact O-N 3.1Å; Y14-V17 PolarHBondContact O-N 3.2Å; V17-L19 PolarHBondContact O-N 2.98Å; V17-K20 PolarHBondContact O-N 2.86Å; V17-N21 WeakPolarHBondContact O-CB 3.39Å; V17-N21 VanDerWaalsContact O-CG 3.26Å; V17-N21 PolarHBondContact O-N 3.07Å; V17-N21 PolarHBondContact O-ND2 2.91Å
18G86.7Confident88.7Confident37 Ų37104.2 Ų104.238%0.38152%0.52SS..Hα-helixtrans-59.7-44.8175.700000112.4Y14 K15 N21 A22Y14-G18 PolarHBondContact O-N 2.9Å; K15-G18 PolarHBondContact O-N 3.22Å; G18-N21 PolarHBondContact O-N 3.3Å; G18-A22 WeakPolarHBondContact O-CB 3.44Å; G18-A22 PolarHBondContact O-N 3.37Å
19L89.9Confident88.5Confident108 Ų108107.6 Ų107.657%0.56553%0.527SS*.Hα-helixtrans-63.3-45.7176.9-162.482.6000111.7K15 V17 N21 A22 I23K15-L19 WeakPolarHBondContact O-CB 3.47Å; K15-L19 PolarHBondContact O-N 2.88Å; V17-L19 PolarHBondContact O-N 2.98Å; L19-N21 PolarHBondContact O-N 2.83Å; L19-A22 PolarHBondContact O-N 3.5Å; L19-I23 HydrophobicContact CD2-CD1 4.36Å; L19-I23 HydrophobicContact CG-CD1 4.11Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.23Å; L19-I23 PolarHBondContact O-N 3.5Å
20K89.6Confident88.5Confident146 Ų146105.9 Ų105.964%0.63552%0.519SS*.Hα-helixtrans-59.4-45175.7-74.9169.7-177.5174.70111.8D16 V17 I23 S24D16-K20 WeakPolarHBondContact O-CB 3.47Å; D16-K20 VanDerWaalsContact O-CG 3.26Å; D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.28Å; V17-K20 PolarHBondContact O-N 2.86Å; K20-I23 PolarHBondContact O-N 3.39Å; K20-S24 WeakPolarHBondContact O-CB 3.4Å; K20-S24 PolarHBondContact O-N 2.93Å
21N89.6Confident88.6Confident95 Ų95103.7 Ų103.751%0.50851%0.512SS..Hα-helixtrans-65.6-39.2178.1-72.3-14.9000112.2V17 G18 L19 S24 K25V17-N21 WeakPolarHBondContact O-CB 3.39Å; V17-N21 VanDerWaalsContact O-CG 3.26Å; V17-N21 PolarHBondContact O-N 3.07Å; V17-N21 PolarHBondContact O-ND2 2.91Å; G18-N21 PolarHBondContact O-N 3.3Å; L19-N21 PolarHBondContact O-N 2.83Å; N21-S24 PolarHBondContact O-N 3.18Å; N21-K25 WeakPolarHBondContact O-CB 3.17Å; N21-K25 WeakPolarHBondContact O-CG 3.32Å; N21-K25 PolarHBondContact O-N 2.93Å
22A88.1Confident88.4Confident57 Ų57101.4 Ų101.447%0.47150%0.503SS..Hα-helixtrans-63.9-45.4175.200000111.9G18 L19 S24 K25 Q26G18-A22 WeakPolarHBondContact O-CB 3.44Å; G18-A22 PolarHBondContact O-N 3.37Å; L19-A22 PolarHBondContact O-N 3.5Å; A22-S24 VanDerWaalsContact C-N 3.34Å; A22-S24 PolarHBondContact O-N 3.43Å; A22-K25 PolarHBondContact O-N 3.25Å; A22-Q26 WeakPolarHBondContact O-CB 3.39Å; A22-Q26 PolarHBondContact O-N 2.6Å
23I92.6Very high88.1Confident78 Ų78102.3 Ų102.340%0.450%0.504SS..Hα-helixtrans-62.4-41.4175.5-67.2164.5000110.8L19 K20 Q26 R27L19-I23 HydrophobicContact CD2-CD1 4.36Å; L19-I23 HydrophobicContact CG-CD1 4.11Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.23Å; L19-I23 PolarHBondContact O-N 3.5Å; K20-I23 PolarHBondContact O-N 3.39Å; I23-Q26 PolarHBondContact O-N 3.27Å; I23-R27 WeakPolarHBondContact O-CG 3.47Å; I23-R27 PolarHBondContact O-N 2.92Å
24S91.3Very high88.2Confident73 Ų73106.5 Ų106.551%0.5151%0.508SS..Hα-helixtrans-61.6-50.5176.8-163.40000111.9K20 N21 A22 Q26 R27 E28K20-S24 WeakPolarHBondContact O-CB 3.4Å; K20-S24 PolarHBondContact O-N 2.93Å; N21-S24 PolarHBondContact O-N 3.18Å; A22-S24 VanDerWaalsContact C-N 3.34Å; A22-S24 PolarHBondContact O-N 3.43Å; S24-Q26 PolarHBondContact O-N 2.89Å; S24-R27 PolarHBondContact O-N 2.97Å; S24-E28 PolarHBondContact O-N 3.16Å
25K88.4Confident88.3Confident140 Ų140102.9 Ų102.961%0.60950%0.496SS*.Hα-helixtrans-64.5-23.6176-75.3-173.4174.5-171.70113.7N21 A22 R29N21-K25 WeakPolarHBondContact O-CB 3.17Å; N21-K25 WeakPolarHBondContact O-CG 3.32Å; N21-K25 PolarHBondContact O-N 2.93Å; A22-K25 PolarHBondContact O-N 3.25Å; K25-R29 WeakPolarHBondContact O-CG 3.49Å; K25-R29 PolarHBondContact O-N 3.1Å; K25-R29 PolarHBondContact O-NE 3.02Å
26Q86.8Confident88.2Confident80 Ų80105 Ų10537%0.37450%0.501SS..Hα-helixtrans-75.3-49.6174.4-175.259.52400110.9A22 I23 S24 E28 R29 E30A22-Q26 WeakPolarHBondContact O-CB 3.39Å; A22-Q26 PolarHBondContact O-N 2.6Å; I23-Q26 PolarHBondContact O-N 3.27Å; S24-Q26 PolarHBondContact O-N 2.89Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 3.05Å; Q26-R29 PolarHBondContact O-N 3.28Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.33Å; Q26-E30 PolarHBondContact NE2-OE1 3.07Å; Q26-E30 WeakPolarHBondContact O-CG 3.23Å; Q26-E30 PolarHBondContact O-N 3.08Å
27R92.2Very high88.1Confident171 Ų171108.5 Ų108.565%0.64551%0.507SS*.Hα-helixtrans-58.8-41.6176.5-70.9176.3-179.6179.6-0.2112.6I23 S24 R29 E30 E31I23-R27 WeakPolarHBondContact O-CG 3.47Å; I23-R27 PolarHBondContact O-N 2.92Å; S24-R27 PolarHBondContact O-N 2.97Å; R27-R29 PolarHBondContact O-N 2.94Å; R27-E30 PolarHBondContact O-N 3.48Å; R27-E31 WeakPolarHBondContact O-CB 3.38Å; R27-E31 PolarHBondContact O-N 3.16Å
28E90.2Very high88.2Confident108 Ų108109.5 Ų109.551%0.50551%0.507SS..Hα-helixtrans-62.1-42.5177.7-170.1-175.4174.100111.9S24 Q26 E31 Q32S24-E28 PolarHBondContact O-N 3.16Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 3.05Å; E28-E31 PolarHBondContact O-N 3.39Å; E28-Q32 WeakPolarHBondContact O-CB 3.33Å; E28-Q32 VanDerWaalsContact O-CG 3.29Å; E28-Q32 WeakPolarHBondContact O-CG 3.15Å; E28-Q32 PolarHBondContact O-N 2.98Å; E28-Q32 PolarHBondContact OE1-NE2 3.3Å
29R83.1Confident88.3Confident146 Ų146115.2 Ų115.255%0.55152%0.521SS*.Hα-helixtrans-65.3-43.7175.8-77.9-178.6-70.8164.92.3112.2K25 Q26 R27 E31 Q32 E33K25-R29 WeakPolarHBondContact O-CG 3.49Å; K25-R29 PolarHBondContact O-N 3.1Å; K25-R29 PolarHBondContact O-NE 3.02Å; Q26-R29 PolarHBondContact O-N 3.28Å; R27-R29 PolarHBondContact O-N 2.94Å; R29-E31 VanDerWaalsContact C-N 3.34Å; R29-E31 PolarHBondContact O-N 2.82Å; R29-Q32 PolarHBondContact O-N 3.43Å; R29-E33 WeakPolarHBondContact O-CB 3.26Å; R29-E33 PolarHBondContact O-N 3.24Å
30E87.4Confident88Confident102 Ų102115.5 Ų115.548%0.47752%0.522SS..Hα-helixtrans-62.1-40.1176.5-72.6166.9-172.200112Q26 R27 E33 R34Q26-E30 WeakPolarHBondContact CG-OE1 3.33Å; Q26-E30 PolarHBondContact NE2-OE1 3.07Å; Q26-E30 WeakPolarHBondContact O-CG 3.23Å; Q26-E30 PolarHBondContact O-N 3.08Å; R27-E30 PolarHBondContact O-N 3.48Å; E30-E33 PolarHBondContact O-N 2.79Å; E30-R34 WeakPolarHBondContact O-CB 3.39Å; E30-R34 PolarHBondContact O-N 2.98Å
31E88.8Confident88Confident93 Ų93111.1 Ų111.144%0.43551%0.513SS..Hα-helixtrans-69.4-40.8176.4-163.8-171.9146.300112.4R27 E28 R29 R34 K35R27-E31 WeakPolarHBondContact O-CB 3.38Å; R27-E31 PolarHBondContact O-N 3.16Å; E28-E31 PolarHBondContact O-N 3.39Å; R29-E31 VanDerWaalsContact C-N 3.34Å; R29-E31 PolarHBondContact O-N 2.82Å; E31-R34 PolarHBondContact O-N 3.08Å; E31-K35 HydrophobicContact CG-CD 4.41Å; E31-K35 WeakPolarHBondContact O-CB 3.42Å; E31-K35 WeakPolarHBondContact O-CG 3.43Å; E31-K35 PolarHBondContact O-N 3.24Å; E31-K35 VanDerWaalsContact OE1-CE 3.29Å; E31-K35 WeakPolarHBondContact OE1-CE 3.46Å; E31-K35 IonicContact OE1-NZ 3.2Å; E31-K35 PolarHBondContact OE1-NZ 2.74Å
32Q86.3Confident88.2Confident92 Ų92109.2 Ų109.243%0.4351%0.511SS..Hα-helixtrans-63.2-41173.9-73.7-179.222.200111.7E28 R29 R36E28-Q32 WeakPolarHBondContact O-CB 3.33Å; E28-Q32 VanDerWaalsContact O-CG 3.29Å; E28-Q32 WeakPolarHBondContact O-CG 3.15Å; E28-Q32 PolarHBondContact O-N 2.98Å; E28-Q32 PolarHBondContact OE1-NE2 3.3Å; R29-Q32 PolarHBondContact O-N 3.43Å; Q32-R36 WeakPolarHBondContact O-CG 3.21Å; Q32-R36 PolarHBondContact O-N 2.7Å
33E81.5Confident88.1Confident94 Ų94113.3 Ų113.344%0.43952%0.52SS..Hα-helixtrans-66.6-43.3176.6-167.3-179.8169.300111.5R29 E30 K35 R36 R37R29-E33 WeakPolarHBondContact O-CB 3.26Å; R29-E33 PolarHBondContact O-N 3.24Å; E30-E33 PolarHBondContact O-N 2.79Å; E33-K35 PolarHBondContact O-N 2.61Å; E33-R36 PolarHBondContact O-N 3.16Å; E33-R36 VanDerWaalsContact O-N 3.16Å; E33-R37 WeakPolarHBondContact O-CG 3.37Å; E33-R37 PolarHBondContact O-N 2.95Å; E33-R37 IonicContact OE1-CZ 2.62Å; E33-R37 VanDerWaalsContact OE1-CZ 3.26Å; E33-R37 IonicContact OE1-NE 2.7Å; E33-R37 PolarHBondContact OE1-NE 3.21Å; E33-R37 VanDerWaalsContact OE1-NE 3.12Å; E33-R37 IonicContact OE1-NH2 2.63Å; E33-R37 PolarHBondContact OE1-NH2 2.87Å
34R88.2Confident87.6Confident145 Ų145114.9 Ų114.955%0.54752%0.524SS..Hα-helixtrans-59.2-47.4175.7-157.1-174.276.3-149.8-4.2111.4E30 E31 R36 R37 E38E30-R34 WeakPolarHBondContact O-CB 3.39Å; E30-R34 PolarHBondContact O-N 2.98Å; E31-R34 PolarHBondContact O-N 3.08Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.03Å; R34-R37 PolarHBondContact O-N 3.46Å; R34-E38 WeakPolarHBondContact CD-OE1 3.35Å; R34-E38 WeakPolarHBondContact CG-OE1 3.46Å; R34-E38 IonicContact CZ-OE1 2.7Å; R34-E38 IonicContact NE-OE1 3.67Å; R34-E38 PolarHBondContact NE-OE1 2.82Å; R34-E38 IonicContact NH2-OE1 2.99Å; R34-E38 WeakPolarHBondContact O-CB 3.44Å; R34-E38 VanDerWaalsContact O-CG 3.29Å; R34-E38 WeakPolarHBondContact O-CG 3.47Å; R34-E38 PolarHBondContact O-N 3.4Å
35K90.9Very high87.2Confident102 Ų102117.2 Ų117.244%0.44353%0.527SS..Hα-helixtrans-60-34.2175.6-76.9169.4171.8168.60113.2E31 E33 K39E31-K35 HydrophobicContact CG-CD 4.41Å; E31-K35 WeakPolarHBondContact O-CB 3.42Å; E31-K35 WeakPolarHBondContact O-CG 3.43Å; E31-K35 PolarHBondContact O-N 3.24Å; E31-K35 VanDerWaalsContact OE1-CE 3.29Å; E31-K35 WeakPolarHBondContact OE1-CE 3.46Å; E31-K35 IonicContact OE1-NZ 3.2Å; E31-K35 PolarHBondContact OE1-NZ 2.74Å; E33-K35 PolarHBondContact O-N 2.61Å; K35-K39 WeakPolarHBondContact O-CG 3.21Å; K35-K39 PolarHBondContact O-N 2.88Å; K35-K39 VanDerWaalsContact O-N 3.15Å
36R83.6Confident87.1Confident172 Ų172116.5 Ų116.565%0.64952%0.524SS*.Hα-helixtrans-69.1-47.5173.8-73.5174.5-176.3-160.71.5111.6Q32 E33 R34 E38 K39 I40Q32-R36 WeakPolarHBondContact O-CG 3.21Å; Q32-R36 PolarHBondContact O-N 2.7Å; E33-R36 PolarHBondContact O-N 3.16Å; E33-R36 VanDerWaalsContact O-N 3.16Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.03Å; R36-E38 PolarHBondContact O-N 3.4Å; R36-K39 PolarHBondContact O-N 2.62Å; R36-I40 WeakPolarHBondContact O-CG1 3.41Å; R36-I40 PolarHBondContact O-N 3.49Å
37R86.7Confident86.6Confident164 Ų164120 Ų12062%0.61953%0.533SS*.Hα-helixtrans-61.1-43.3177.4-67.3176.1-178.7-1524.6111.8E33 R34 I40 A41E33-R37 WeakPolarHBondContact O-CG 3.37Å; E33-R37 PolarHBondContact O-N 2.95Å; E33-R37 IonicContact OE1-CZ 2.62Å; E33-R37 VanDerWaalsContact OE1-CZ 3.26Å; E33-R37 IonicContact OE1-NE 2.7Å; E33-R37 PolarHBondContact OE1-NE 3.21Å; E33-R37 VanDerWaalsContact OE1-NE 3.12Å; E33-R37 IonicContact OE1-NH2 2.63Å; E33-R37 PolarHBondContact OE1-NH2 2.87Å; R34-R37 PolarHBondContact O-N 3.46Å; R37-I40 PolarHBondContact O-N 2.77Å; R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.3Å
38E90.7Very high85.7Confident96 Ų96116.5 Ų116.545%0.44953%0.525SS..Hα-helixtrans-60.3-44.9175.4-73.8165.4-173.700112R34 R36 A41 A42R34-E38 WeakPolarHBondContact CD-OE1 3.35Å; R34-E38 WeakPolarHBondContact CG-OE1 3.46Å; R34-E38 IonicContact CZ-OE1 2.7Å; R34-E38 IonicContact NE-OE1 3.67Å; R34-E38 PolarHBondContact NE-OE1 2.82Å; R34-E38 IonicContact NH2-OE1 2.99Å; R34-E38 WeakPolarHBondContact O-CB 3.44Å; R34-E38 VanDerWaalsContact O-CG 3.29Å; R34-E38 WeakPolarHBondContact O-CG 3.47Å; R34-E38 PolarHBondContact O-N 3.4Å; R36-E38 PolarHBondContact O-N 3.4Å; E38-A41 PolarHBondContact O-N 2.91Å; E38-A42 WeakPolarHBondContact O-CB 3.24Å; E38-A42 PolarHBondContact O-N 2.96Å
39K88.8Confident85Confident158 Ų158117.6 Ų117.669%0.68753%0.529SS*.Hα-helixtrans-61.8-48175.9-79.6-176.3175.3-1660112.8K35 R36 A41 A42 E43K35-K39 WeakPolarHBondContact O-CG 3.21Å; K35-K39 PolarHBondContact O-N 2.88Å; K35-K39 VanDerWaalsContact O-N 3.15Å; R36-K39 PolarHBondContact O-N 2.62Å; K39-A41 VanDerWaalsContact C-N 3.31Å; K39-A41 PolarHBondContact O-N 3.41Å; K39-A42 PolarHBondContact O-N 2.63Å; K39-E43 WeakPolarHBondContact O-CB 3.24Å; K39-E43 PolarHBondContact O-N 3.12Å
40I83Confident84.5Confident114 Ų114114.6 Ų114.659%0.58552%0.522SS*.Hα-helixtrans-61.8-41.7179.5-66.2163.6000110.5R36 R37 K44R36-I40 WeakPolarHBondContact O-CG1 3.41Å; R36-I40 PolarHBondContact O-N 3.49Å; R37-I40 PolarHBondContact O-N 2.77Å; I40-K44 WeakPolarHBondContact O-CB 3.33Å; I40-K44 PolarHBondContact O-N 2.85Å
41A90.6Very high83.5Confident53 Ų53115.7 Ų115.744%0.43853%0.53SS..Hα-helixtrans-65.8-41.6176.700000112.7R37 E38 K39 K44 Q45R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.3Å; E38-A41 PolarHBondContact O-N 2.91Å; K39-A41 VanDerWaalsContact C-N 3.31Å; K39-A41 PolarHBondContact O-N 3.41Å; A41-K44 PolarHBondContact O-N 2.89Å; A41-Q45 WeakPolarHBondContact O-CG 3.48Å; A41-Q45 PolarHBondContact O-N 3.4Å
42A92.1Very high82.4Confident56 Ų56118.1 Ų118.146%0.46354%0.541SS..Hα-helixtrans-68-39.4177.300000112.4E38 K39 Q45 K46E38-A42 WeakPolarHBondContact O-CB 3.24Å; E38-A42 PolarHBondContact O-N 2.96Å; K39-A42 PolarHBondContact O-N 2.63Å; A42-Q45 PolarHBondContact O-N 2.98Å; A42-K46 WeakPolarHBondContact O-CB 3.19Å; A42-K46 PolarHBondContact O-N 3.26Å
43E86.4Confident81.3Confident143 Ų143117.8 Ų117.867%0.66855%0.55SS*.Hα-helixtrans-65.2-42174.8-173.6169.7-176.400111.2K39 K46 R47K39-E43 WeakPolarHBondContact O-CB 3.24Å; K39-E43 PolarHBondContact O-N 3.12Å; E43-K46 PolarHBondContact O-N 3.44Å; E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 3.13Å
44K83Confident80Confident111 Ų111119.3 Ų119.348%0.48356%0.561SS.*Hα-helixtrans-60.2-49.7172.3178.1166.2178.5160.40112.2I40 A41 K46 R47 E48I40-K44 WeakPolarHBondContact O-CB 3.33Å; I40-K44 PolarHBondContact O-N 2.85Å; A41-K44 PolarHBondContact O-N 2.89Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-K46 PolarHBondContact O-N 2.85Å; K44-R47 PolarHBondContact O-N 3.01Å; K44-E48 WeakPolarHBondContact CE-OE1 3.4Å; K44-E48 HydrophobicContact CG-CG 4.41Å; K44-E48 IonicContact NZ-OE1 3.26Å; K44-E48 WeakPolarHBondContact O-CB 3.43Å; K44-E48 WeakPolarHBondContact O-CG 3.29Å; K44-E48 PolarHBondContact O-N 2.84Å
45Q82.7Confident78.1Confident122 Ų122119.9 Ų119.957%0.5757%0.567SS**Hα-helixtrans-60.9-41.2177.5-78.4-175.8-19.700112.4A41 A42 R47 E48 Q49A41-Q45 WeakPolarHBondContact O-CG 3.48Å; A41-Q45 PolarHBondContact O-N 3.4Å; A42-Q45 PolarHBondContact O-N 2.98Å; Q45-R47 VanDerWaalsContact C-N 3.34Å; Q45-R47 PolarHBondContact O-N 3.42Å; Q45-E48 PolarHBondContact O-N 3.38Å; Q45-Q49 WeakPolarHBondContact O-CB 3.4Å; Q45-Q49 VanDerWaalsContact O-CG 3.29Å; Q45-Q49 WeakPolarHBondContact O-CG 3.39Å; Q45-Q49 PolarHBondContact O-N 3.18Å
46K85.3Confident75.8Confident125 Ų125121.7 Ų121.754%0.54358%0.58SS.*Hα-helixtrans-62.5-41.5175.5-175.8172.2-174.1-76.10111.5A42 E43 K44 Q49 E50A42-K46 WeakPolarHBondContact O-CB 3.19Å; A42-K46 PolarHBondContact O-N 3.26Å; E43-K46 PolarHBondContact O-N 3.44Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-K46 PolarHBondContact O-N 2.85Å; K46-Q49 PolarHBondContact O-N 3.49Å; K46-E50 IonicContact NZ-OE1 3.94Å; K46-E50 PolarHBondContact NZ-OE1 3.4Å; K46-E50 WeakPolarHBondContact O-CB 3.3Å; K46-E50 WeakPolarHBondContact O-CG 3.44Å; K46-E50 PolarHBondContact O-N 2.93Å
47R76.3Confident73.8Confident152 Ų152119 Ų11957%0.57458%0.583SS**Hα-helixtrans-69.4-37.1177.6-159.4-179.8-163.3-167.76.9112.6E43 K44 Q45 L51E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 3.13Å; K44-R47 PolarHBondContact O-N 3.01Å; Q45-R47 VanDerWaalsContact C-N 3.34Å; Q45-R47 PolarHBondContact O-N 3.42Å; R47-L51 VanDerWaalsContact O-CB 3.24Å; R47-L51 WeakPolarHBondContact O-CB 3.37Å; R47-L51 PolarHBondContact O-N 2.91Å
48E74.6Confident71.5Confident99 Ų99120.1 Ų120.146%0.46360%0.595SS.*Hα-helixtrans-65-43.9172.3-74.9172.6168.200110.9K44 Q45 L51 E52K44-E48 WeakPolarHBondContact CE-OE1 3.4Å; K44-E48 HydrophobicContact CG-CG 4.41Å; K44-E48 IonicContact NZ-OE1 3.26Å; K44-E48 WeakPolarHBondContact O-CB 3.43Å; K44-E48 WeakPolarHBondContact O-CG 3.29Å; K44-E48 PolarHBondContact O-N 2.84Å; Q45-E48 PolarHBondContact O-N 3.38Å; E48-L51 CarbonylContact O-C 3.47Å; E48-L51 PolarHBondContact O-N 3.44Å; E48-E52 PolarHBondContact O-N 3.32Å
49Q74.5Confident68.9Low130 Ų130122.1 Ų122.161%0.60761%0.608SS**Hα-helixtrans-63.6-42.3174.3-75174.3-5.900112.9Q45 K46 L51 E52 S53Q45-Q49 WeakPolarHBondContact O-CB 3.4Å; Q45-Q49 VanDerWaalsContact O-CG 3.29Å; Q45-Q49 WeakPolarHBondContact O-CG 3.39Å; Q45-Q49 PolarHBondContact O-N 3.18Å; K46-Q49 PolarHBondContact O-N 3.49Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.93Å; Q49-E52 PolarHBondContact O-N 3.27Å; Q49-S53 WeakPolarHBondContact O-CB 3.42Å; Q49-S53 PolarHBondContact O-N 3.15Å; Q49-S53 PolarHBondContact O-OG 2.94Å
50E72.1Confident66.8Low84 Ų84120.8 Ų120.839%0.39361%0.613SS.*Hα-helixtrans-63.6-35.3173.5-77.3170.6-174.200111.7K46 S53 N54K46-E50 IonicContact NZ-OE1 3.94Å; K46-E50 PolarHBondContact NZ-OE1 3.4Å; K46-E50 WeakPolarHBondContact O-CB 3.3Å; K46-E50 WeakPolarHBondContact O-CG 3.44Å; K46-E50 PolarHBondContact O-N 2.93Å; E50-S53 WeakPolarHBondContact CA-OG 3.5Å; E50-S53 PolarHBondContact O-OG 3.02Å; E50-S53 VanDerWaalsContact O-OG 3.1Å; E50-N54 WeakPolarHBondContact O-CB 3.35Å; E50-N54 PolarHBondContact O-N 3.43Å; E50-N54 PolarHBondContact O-ND2 3.06Å
51L66.6Low65.1Low124 Ų124122 Ų12265%0.64962%0.621SS**Hα-helixtrans-77.3-31.6178.5-159.5146.3000112R47 E48 Q49 K55R47-L51 VanDerWaalsContact O-CB 3.24Å; R47-L51 WeakPolarHBondContact O-CB 3.37Å; R47-L51 PolarHBondContact O-N 2.91Å; E48-L51 CarbonylContact O-C 3.47Å; E48-L51 PolarHBondContact O-N 3.44Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.93Å; L51-K55 VanDerWaalsContact O-CB 3.26Å; L51-K55 WeakPolarHBondContact O-CB 3.46Å; L51-K55 PolarHBondContact O-N 2.7Å
52E67.6Low63.2Low144 Ų144128.3 Ų128.367%0.67364%0.641SS**Hα-helixtrans-71.6-40.5168.9-75.3-168.3153.600112.5E48 Q49 K55E48-E52 PolarHBondContact O-N 3.32Å; Q49-E52 PolarHBondContact O-N 3.27Å; E52-K55 WeakPolarHBondContact O-CB 3.38Å; E52-K55 PolarHBondContact O-N 2.61Å; E52-K55 VanDerWaalsContact O-N 3.16Å
53S61.8Low60.9Low86 Ų86134 Ų13460%0.60166%0.659SS**Hα-helixtrans-68.5-36.2175.768.80000112.3Q49 E50 K55Q49-S53 WeakPolarHBondContact O-CB 3.42Å; Q49-S53 PolarHBondContact O-N 3.15Å; Q49-S53 PolarHBondContact O-OG 2.94Å; E50-S53 WeakPolarHBondContact CA-OG 3.5Å; E50-S53 PolarHBondContact O-OG 3.02Å; E50-S53 VanDerWaalsContact O-OG 3.1Å; S53-K55 VanDerWaalsContact C-N 3.27Å
54N55.2Low58.8Low125 Ų125131.5 Ų131.567%0.66866%0.662SS**SBendtrans-78.7-11.3173.3-66.4-22.7000112.7E50 I56E50-N54 WeakPolarHBondContact O-CB 3.35Å; E50-N54 PolarHBondContact O-N 3.43Å; E50-N54 PolarHBondContact O-ND2 3.06Å; N54-I56 PolarHBondContact O-N 3.06Å
55K48.6Very low57.2Low158 Ų158131.2 Ų131.269%0.68767%0.674SS**SBendtrans-79.367.1164.9-168.8-178.5179.5-174.70108.4L51 E52 S53 V57L51-K55 VanDerWaalsContact O-CB 3.26Å; L51-K55 WeakPolarHBondContact O-CB 3.46Å; L51-K55 PolarHBondContact O-N 2.7Å; E52-K55 WeakPolarHBondContact O-CB 3.38Å; E52-K55 PolarHBondContact O-N 2.61Å; E52-K55 VanDerWaalsContact O-N 3.16Å; S53-K55 VanDerWaalsContact C-N 3.27Å; K55-V57 PolarHBondContact O-N 3.12Å; K55-V57 VanDerWaalsContact O-N 3.07Å
56I41.1Very low55.6Low140 Ų140134 Ų13472%0.71869%0.687SS**  trans-41.6115176.3-70.3164.2000108.7N54N54-I56 PolarHBondContact O-N 3.06Å
57V41.7Very low53.3Low116 Ų116136.5 Ų136.570%0.70371%0.705SS**  trans-57.1135.3166.3170.80000107K55 L59K55-V57 PolarHBondContact O-N 3.12Å; K55-V57 VanDerWaalsContact O-N 3.07Å; V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.36Å
58E39.7Very low51.5Low187 Ų187134.9 Ų134.987%0.87472%0.717SS**  trans-58.898.9171.5-68-175.9169.900108.6T60E58-T60 PolarHBondContact O-N 2.9Å
59L35.1Very low49.9Very low138 Ų138133.7 Ų133.772%0.72372%0.724SS**  trans-73.8105.7170-72.7171.5000106.7V57V57-L59 VanDerWaalsContact C-N 3.33Å; V57-L59 PolarHBondContact O-N 3.36Å
60T45.1Very low48Very low130 Ų130134.7 Ų134.780%0.79873%0.734SS**  trans-46.8142.7166.115.50000111E58 E62E58-T60 PolarHBondContact O-N 2.9Å; T60-E62 PolarHBondContact O-N 2.82Å
61D48.2Very low46.1Very low138 Ų138138.6 Ų138.674%0.73876%0.757SS**THydrogen-bonded Turntrans-5917.9-157.9-65.7-58.2000119.5
62E49.1Very low44.4Very low186 Ų186141.3 Ų141.387%0.86977%0.767SS**THydrogen-bonded Turntrans-92.5-14.9-166.9-155.8157.2-166.400115.8T60T60-E62 PolarHBondContact O-N 2.82Å
63E44.8Very low42.9Very low177 Ų177142.2 Ų142.283%0.82778%0.775SS**SBendtrans-109.73.2179.8-65.9-165.1148.200115.2S65E63-S65 VanDerWaalsContact C-N 3.26Å; E63-S65 PolarHBondContact O-N 3.39Å
64A42.2Very low41.5Very low90 Ų90145.5 Ų145.574%0.74478%0.784SS**THydrogen-bonded Turntrans-77.81.8-176.800000115.5
65S48.6Very low40.2Very low104 Ų104145.4 Ų145.473%0.72778%0.782SS**THydrogen-bonded Turntrans-93.6-6.7-168.1-69.90000116.9E63E63-S65 VanDerWaalsContact C-N 3.26Å; E63-S65 PolarHBondContact O-N 3.39Å
66E49.4Very low39.2Very low180 Ų180149.8 Ų149.884%0.84180%0.795SS**SBendtrans-108.8-5-172.1-68.8-157.5149.600116.9
67L37.5Very low38.6Very low179 Ų179146.5 Ų146.594%0.93780%0.796SS**  trans-109.851.3-176.3-64.7178.3000114.1
68S38.9Very low38Very low118 Ų118146.7 Ų146.783%0.82580%0.802SS**  trans-111.312.1176.960.40000114.9
69A39.6Very low37.4Very low74 Ų74145.3 Ų145.361%0.61280%0.801SS**SBendtrans-122.7119.9-179.200000112.3
70N34.6Very low37.1Very low151 Ų151147.2 Ų147.281%0.80781%0.806SS**  trans71.6115-177.9-40.3-37.6000112.4
71D34Very low36.4Very low165 Ų165146.5 Ų146.588%0.88280%0.803SS**  -142.5116.451.6-75.7-39.5000113.4
72E30.5Very low35.3Very low182 Ų182145.8 Ų145.885%0.8580%0.804SS**  trans-78.1164.3154.7-74.1-169.1122.700110.1
73I34.6Very low34.4Very low163 Ų163145.6 Ų145.684%0.83680%0.803SS**  trans79.187.3175.5-43.3159.7000114.7
74I33.4Very low33.6Very low155 Ų155142 Ų14280%0.79580%0.797SS**  -153.7103.6105.2-58.8-162.9000107.9
75L28.8Very low33Very low122 Ų122142.6 Ų142.664%0.63980%0.803SS**  trans-140.394.1172.6-74.5-179.9000112.4K244L75-K244 HydrophobicContact CD1-CD 3.93Å; L75-K244 HydrophobicContact CD2-CD 3.39Å; L75-K244 HydrophobicContact CG-CD 4.32Å
76R27.5Very low32.2Very low250 Ų250143.8 Ų143.894%0.94380%0.801SS**  trans-166.3129.2161.4-119.9162167.3-109.9-6.7114
77G27.6Very low31.5Very low72 Ų72140.6 Ų140.674%0.74280%0.798SS**  trans90.8139.5165.400000115
78S29.6Very low31.5Very low120 Ų120138.5 Ų138.584%0.83979%0.788SS**  cis-162.9156.3-20.4-119.40000109
79D26.7Very low31.7Very low157 Ų157138.2 Ų138.284%0.8477%0.772SS**PPolyproline II helixtrans-62.5147.8-166.7-60-81000116.7
80H28.4Very low32.4Very low178 Ų178142 Ų14282%0.82478%0.777SS**PPolyproline II helixtrans-57.2139.1167.5-99.5-91.7000113
81P30.1Very low33.5Very low116 Ų116139.9 Ų139.975%0.75377%0.766SS**PPolyproline II helixtrans-93.6119.6148.327-15.7000110.5
82T26.6Very low34.9Very low123 Ų123137.1 Ų137.176%0.75575%0.748SS**PPolyproline II helixtrans-83.8120.9173.3-58.40000111.1
83Q29.3Very low36.8Very low181 Ų181131.4 Ų131.485%0.84672%0.723SS**  trans-144.599.9158-65.4-174.4-0.100106.7
84S26.9Very low38.7Very low101 Ų101125.4 Ų125.471%0.70670%0.695SS**  68.992.973.8760000114.3
85A30.9Very low40.8Very low104 Ų104124.6 Ų124.686%0.8670%0.7SS**  trans49113.3150.200000119.6
86D30.5Very low43.1Very low128 Ų128122 Ų12268%0.68470%0.703SS**  trans-151112.8131.9-148.11.9000110.6D88D86-D88 PolarHBondContact O-N 3Å
87S35.6Very low45.6Very low113 Ų113111.6 Ų111.679%0.7967%0.668SS**  trans-103.655.1-168.962.60000112.5
88D37.8Very low48.2Very low136 Ų136111.1 Ų111.173%0.72765%0.648SS**  trans-141.611.9176.6-87.1-45.4000113.5D86D86-D88 PolarHBondContact O-N 3Å
89K43.6Very low50.8Low112 Ų112111.3 Ų111.349%0.48763%0.63SS.*G310 helixtrans-88.2-3.2-174.2-63.8-167.8166.9-98.90115.9D91 E92K89-D91 PolarHBondContact O-N 3.46Å; K89-E92 HydrophobicContact CG-CG 4.43Å; K89-E92 IonicContact NZ-OE1 3.12Å; K89-E92 PolarHBondContact NZ-OE1 3.29Å; K89-E92 IonicContact NZ-OE2 2.6Å; K89-E92 PolarHBondContact NZ-OE2 3.4Å; K89-E92 PolarHBondContact O-N 3.04Å
90E53Low53.6Low152 Ų152104.8 Ų104.871%0.7160%0.596SS**G310 helixtrans-65.5-20.8172.9-74-167.5-166.300112.6K183E90-K183 PolarHBondContact O-NZ 2.81Å
91D58.4Low56.1Low107 Ų10797.4 Ų97.457%0.57256%0.563SS**G310 helixtrans-100.6-4.8176.7-90.1-47.2000115.4K89 L93 R99K89-D91 PolarHBondContact O-N 3.46Å; D91-L93 PolarHBondContact O-N 2.94Å; D91-R99 PolarHBondContact O-NH2 3.28Å; D91-R99 IonicContact OD1-CZ 3.51Å; D91-R99 IonicContact OD1-NH1 2.79Å; D91-R99 PolarHBondContact OD1-NH1 3.05Å; D91-R99 IonicContact OD1-NH2 3.24Å; D91-R99 PolarHBondContact OD1-NH2 3.44Å
92E64.1Low58.5Low108 Ų10898.3 Ų98.351%0.50557%0.572SS.*PPolyproline II helixtrans-65.1119.2170.4-73.9-174167.400109.6K89 K183K89-E92 HydrophobicContact CG-CG 4.43Å; K89-E92 IonicContact NZ-OE1 3.12Å; K89-E92 PolarHBondContact NZ-OE1 3.29Å; K89-E92 IonicContact NZ-OE2 2.6Å; K89-E92 PolarHBondContact NZ-OE2 3.4Å; K89-E92 PolarHBondContact O-N 3.04Å; E92-K183 WeakPolarHBondContact O-CE 3.43Å; E92-K183 PolarHBondContact O-NZ 3.25Å
93L69.1Low61.1Low62 Ų6293.4 Ų93.433%0.32555%0.546SS..PPolyproline II helixtrans-77.7145167-68.3165.7000109.1D91 R99 D180 K183D91-L93 PolarHBondContact O-N 2.94Å; L93-R99 HydrophobicContact CD1-CB 4.06Å; L93-R99 HydrophobicContact CD2-CB 3.81Å; L93-R99 HydrophobicContact CD2-CG 4.25Å; L93-D180 HydrophobicContact CD2-CB 4.44Å; L93-K183 HydrophobicContact CD2-CG 4.41Å
94S74.8Confident63.8Low37 Ų3785.8 Ų85.826%0.25951%0.511SS..PPolyproline II helixtrans-54.8136.3169.1-62.50000110.5G96 C97 D180S94-G96 PolarHBondContact O-N 2.95Å; S94-G96 VanDerWaalsContact O-N 3.15Å; S94-C97 WeakPolarHBondContact O-CB 3.35Å; S94-C97 PolarHBondContact O-N 2.88Å; S94-D180 VanDerWaalsContact CB-OD2 3.23Å; S94-D180 WeakPolarHBondContact CB-OD2 3.18Å; S94-D180 PolarHBondContact N-OD2 2.72Å; S94-D180 PolarHBondContact OG-OD2 3.44Å
95P77.2Confident66.6Low138 Ų13881 Ų8190%0.89648%0.478SS*.THydrogen-bonded Turntrans-56119.8-171.8-2935.5000113.7
96G77.3Confident69.1Low67 Ų6776.1 Ų76.169%0.69144%0.437SS*.THydrogen-bonded Turntrans86.9-0.3-178.600000115.4S94 T177S94-G96 PolarHBondContact O-N 2.95Å; S94-G96 VanDerWaalsContact O-N 3.15Å; G96-T177 WeakPolarHBondContact O-CG2 3.45Å
97C80.1Confident71.3Confident31 Ų3175 Ų7521%0.20943%0.432CS..PPolyproline II helixtrans-92147.6175.7-60.70000112.4S94 P178 D180S94-C97 WeakPolarHBondContact O-CB 3.35Å; S94-C97 PolarHBondContact O-N 2.88Å; C97-P178 CarbonylContact C-O 3.41Å; C97-P178 WeakPolarHBondContact CA-O 3.33Å; C97-P178 WeakPolarHBondContact CB-O 3.35Å; C97-D180 HydrophobicContact CB-CB 4.09Å
98L81.7Confident73Confident62 Ų6271.9 Ų71.933%0.32540%0.404SS..BIsolated β-bridgetrans-82.1150.7172.7-65.6174.5000111.4F108 T177 P178 I179 D180L98-F108 HydrophobicContact CD1-CD1 4.46Å; L98-F108 HydrophobicContact CD1-CE1 3.7Å; L98-F108 HydrophobicContact CD1-CZ 4.01Å; L98-T177 HydrophobicContact CD1-CG2 4.25Å; L98-T177 HydrophobicContact CG-CG2 3.91Å; L98-P178 PolarHBondContact N-O 3.47Å; L98-I179 HydrophobicContact CB-CG2 4.35Å; L98-I179 WeakPolarHBondContact O-CA 3.28Å; L98-D180 PolarHBondContact O-N 3.44Å; L98-D180 VanDerWaalsContact O-N 3.16Å
99R85.7Confident74.5Confident125 Ų12571.4 Ų71.447%0.47241%0.408SS..PPolyproline II helixtrans-73132.2167.3-171.2168.1-71.7-124.12.6108.9D91 L93D91-R99 PolarHBondContact O-NH2 3.28Å; D91-R99 IonicContact OD1-CZ 3.51Å; D91-R99 IonicContact OD1-NH1 2.79Å; D91-R99 PolarHBondContact OD1-NH1 3.05Å; D91-R99 IonicContact OD1-NH2 3.24Å; D91-R99 PolarHBondContact OD1-NH2 3.44Å; L93-R99 HydrophobicContact CD1-CB 4.06Å; L93-R99 HydrophobicContact CD2-CB 3.81Å; L93-R99 HydrophobicContact CD2-CG 4.25Å
100P84.4Confident75.1Confident20 Ų2072.1 Ų72.113%0.1342%0.417CS..PPolyproline II helixtrans-59.4146.5174.8-2231.9000112.3G105 I179 K183 V184P100-G105 CarbonylContact C-O 3.55Å; P100-G105 VanDerWaalsContact CA-O 3.23Å; P100-G105 WeakPolarHBondContact CA-O 3.27Å; P100-I179 HydrophobicContact CB-CD1 4.45Å; P100-I179 HydrophobicContact CG-CB 4.37Å; P100-I179 HydrophobicContact CG-CD1 4.3Å; P100-K183 HydrophobicContact CG-CB 4.36Å; P100-V184 HydrophobicContact CB-CG2 4.24Å; P100-V184 HydrophobicContact CG-CG2 3.8Å
101N82.1Confident76Confident22 Ų2266.7 Ų66.712%0.11839%0.391CS..  trans-74.517817169.316000111.4G103 N104 G105 A106 D107 W113N101-G103 PolarHBondContact O-N 3.46Å; N101-G103 VanDerWaalsContact OD1-C 3.29Å; N101-G103 WeakPolarHBondContact OD1-CA 3.23Å; N101-G103 PolarHBondContact OD1-N 3.44Å; N101-N104 PolarHBondContact O-N 2.94Å; N101-N104 PolarHBondContact OD1-N 3.15Å; N101-G105 PolarHBondContact N-O 3.19Å; N101-G105 PolarHBondContact OD1-N 2.96Å; N101-A106 PolarHBondContact ND2-O 3.16Å; N101-D107 VanDerWaalsContact CB-OD2 3.28Å; N101-D107 WeakPolarHBondContact CB-OD2 3.36Å; N101-D107 PolarHBondContact ND2-OD1 3.46Å; N101-W113 PolarHBondContact ND2-O 2.97Å
102S79.8Confident76.5Confident136 Ų13665.1 Ų65.195%0.95139%0.388SS*.THydrogen-bonded Turntrans-62.8-14.2-179.455.10000114.6
103G80.9Confident77.3Confident20 Ų2060.2 Ų60.221%0.20637%0.365CS..THydrogen-bonded Turntrans-104.521.8172.300000113.8N101 G105 T114 Q115N101-G103 PolarHBondContact O-N 3.46Å; N101-G103 VanDerWaalsContact OD1-C 3.29Å; N101-G103 WeakPolarHBondContact OD1-CA 3.23Å; N101-G103 PolarHBondContact OD1-N 3.44Å; G103-G105 PolarHBondContact O-N 2.71Å; G103-G105 VanDerWaalsContact O-N 3.07Å; G103-T114 CarbonylContact O-C 3.54Å; G103-T114 WeakPolarHBondContact O-CA 3.37Å; G103-T114 WeakPolarHBondContact O-CB 3.36Å; G103-Q115 PolarHBondContact O-N 3.27Å
104N86.4Confident77.8Confident21 Ų2159.9 Ų59.911%0.11237%0.365CS..SBendtrans58.715.4178.4-61.4-54.5000116.1N101 Q115 W168 I179 V184 C185N101-N104 PolarHBondContact O-N 2.94Å; N101-N104 PolarHBondContact OD1-N 3.15Å; N104-Q115 HydrophobicContact CB-CG 4.27Å; N104-Q115 WeakPolarHBondContact O-CG 3.21Å; N104-Q115 PolarHBondContact O-NE2 2.72Å; N104-W168 HydrophobicContact CB-CZ3 4.2Å; N104-I179 WeakPolarHBondContact O-CD1 3.16Å; N104-V184 HydrophobicContact CB-CG1 3.83Å; N104-V184 HydrophobicContact CB-CG2 4.32Å; N104-C185 PolarHBondContact ND2-O 2.94Å; N104-C185 PolarHBondContact OD1-N 3.48Å; N104-C185 PolarHBondContact OD1-O 2.71Å
105G85.7Confident78.3Confident0 Ų058.5 Ų58.50%036%0.355CS..SBendtrans-107-143.6170.100000111P100 N101 G103 W113P100-G105 CarbonylContact C-O 3.55Å; P100-G105 VanDerWaalsContact CA-O 3.23Å; P100-G105 WeakPolarHBondContact CA-O 3.27Å; N101-G105 PolarHBondContact N-O 3.19Å; N101-G105 PolarHBondContact OD1-N 2.96Å; G103-G105 PolarHBondContact O-N 2.71Å; G103-G105 VanDerWaalsContact O-N 3.07Å; G105-W113 CarbonylContact C-O 3.59Å; G105-W113 VanDerWaalsContact CA-O 3.29Å; G105-W113 WeakPolarHBondContact CA-O 3.36Å
106A82.9Confident78.6Confident2 Ų253.9 Ų53.92%0.01732%0.324CS..  trans-134.3154.6179.200000112.6N101 F108 S112 W113 I179N101-A106 PolarHBondContact ND2-O 3.16Å; A106-F108 HydrophobicContact CB-CD2 4.36Å; A106-F108 HydrophobicContact CB-CE2 3.76Å; A106-F108 HydrophobicContact CB-CZ 4.12Å; A106-S112 VanDerWaalsContact O-CA 3.32Å; A106-S112 WeakPolarHBondContact O-CA 3.35Å; A106-W113 PolarHBondContact N-O 2.93Å; A106-W113 PolarHBondContact O-N 3Å; A106-I179 HydrophobicContact CB-CG2 3.74Å
107D77Confident78.6Confident105 Ų10554.1 Ų54.156%0.56131%0.309SS*.BIsolated β-bridgetrans-109.4120.2172-57.2-35.1000109.3N101 S112N101-D107 VanDerWaalsContact CB-OD2 3.28Å; N101-D107 WeakPolarHBondContact CB-OD2 3.36Å; N101-D107 PolarHBondContact ND2-OD1 3.46Å; D107-S112 WeakPolarHBondContact OD1-CB 3.33Å
108F71.8Confident78.3Confident46 Ų4658.6 Ų58.620%0.20233%0.325CS..  trans-111.1166.8172.2-62.8-80.6000109.9L98 A106 D110 Y111 W113 D176L98-F108 HydrophobicContact CD1-CD1 4.46Å; L98-F108 HydrophobicContact CD1-CE1 3.7Å; L98-F108 HydrophobicContact CD1-CZ 4.01Å; A106-F108 HydrophobicContact CB-CD2 4.36Å; A106-F108 HydrophobicContact CB-CE2 3.76Å; A106-F108 HydrophobicContact CB-CZ 4.12Å; F108-D110 VanDerWaalsContact C-N 3.26Å; F108-D110 PolarHBondContact O-N 3.01Å; F108-Y111 CarbonylContact C-O 3.52Å; F108-Y111 WeakPolarHBondContact CA-O 3.38Å; F108-Y111 HydrophobicContact CB-CD1 4.12Å; F108-Y111 HydrophobicContact CB-CE1 4.03Å; F108-Y111 WeakPolarHBondContact CB-O 2.81Å; F108-Y111 HydrophobicContact CD2-CD1 4.37Å; F108-Y111 HydrophobicContact CD2-CD2 4.34Å; F108-Y111 AromaticContact CD2-CE1 3.73Å; F108-Y111 HydrophobicContact CD2-CE1 3.73Å; F108-Y111 AromaticContact CD2-CE2 3.7Å; F108-Y111 HydrophobicContact CD2-CE2 3.7Å; F108-Y111 AromaticContact CD2-CZ 3.36Å; F108-Y111 WeakPolarHBondContact CD2-OH 3.36Å; F108-Y111 HydrophobicContact CE2-CE1 4.45Å; F108-Y111 HydrophobicContact CE2-CE2 4.11Å; F108-Y111 AromaticContact CE2-CZ 3.74Å; F108-Y111 WeakPolarHBondContact CE2-OH 3.37Å; F108-Y111 HydrophobicContact CG-CE1 4.04Å; F108-Y111 PolarHBondContact N-O 3.44Å; F108-Y111 VanDerWaalsContact O-O 3.07Å; F108-W113 AromaticContact CE2-NE1 3.84Å; F108-D176 HydrophobicContact CZ-CB 4.05Å
109P68.1Low78.2Confident127 Ų12759.2 Ų59.283%0.82533%0.326SS*.SBendtrans-57.1-35.8-178.6-2836.8000114.6
110D57Low77.9Confident126 Ų12653.3 Ų53.367%0.67430%0.304SS*.SBendtrans-109.3-12.8-171.6-55.7-55.8000113.9F108 I138F108-D110 VanDerWaalsContact C-N 3.26Å; F108-D110 PolarHBondContact O-N 3.01Å; D110-I138 HydrophobicContact CB-CG2 3.99Å; D110-I138 VanDerWaalsContact O-CG2 3.26Å; D110-I138 WeakPolarHBondContact O-CG2 3.19Å
111Y71.3Confident77.1Confident39 Ų3955.3 Ų55.315%0.15331%0.312CS..  trans-156.8158.817575.2-80.6000112.3F108 W113 I138 I139 L172 D176F108-Y111 CarbonylContact C-O 3.52Å; F108-Y111 WeakPolarHBondContact CA-O 3.38Å; F108-Y111 HydrophobicContact CB-CD1 4.12Å; F108-Y111 HydrophobicContact CB-CE1 4.03Å; F108-Y111 WeakPolarHBondContact CB-O 2.81Å; F108-Y111 HydrophobicContact CD2-CD1 4.37Å; F108-Y111 HydrophobicContact CD2-CD2 4.34Å; F108-Y111 AromaticContact CD2-CE1 3.73Å; F108-Y111 HydrophobicContact CD2-CE1 3.73Å; F108-Y111 AromaticContact CD2-CE2 3.7Å; F108-Y111 HydrophobicContact CD2-CE2 3.7Å; F108-Y111 AromaticContact CD2-CZ 3.36Å; F108-Y111 WeakPolarHBondContact CD2-OH 3.36Å; F108-Y111 HydrophobicContact CE2-CE1 4.45Å; F108-Y111 HydrophobicContact CE2-CE2 4.11Å; F108-Y111 AromaticContact CE2-CZ 3.74Å; F108-Y111 WeakPolarHBondContact CE2-OH 3.37Å; F108-Y111 HydrophobicContact CG-CE1 4.04Å; F108-Y111 PolarHBondContact N-O 3.44Å; F108-Y111 VanDerWaalsContact O-O 3.07Å; Y111-W113 AromaticContact CE2-CD1 3.81Å; Y111-I138 HydrophobicContact CD1-CG2 4.26Å; Y111-I138 HydrophobicContact CG-CG2 4.43Å; Y111-I139 HydrophobicContact CD1-CD1 4.09Å; Y111-I139 HydrophobicContact CD1-CG1 3.79Å; Y111-I139 HydrophobicContact CD2-CD1 3.51Å; Y111-I139 HydrophobicContact CD2-CG1 4.16Å; Y111-I139 HydrophobicContact CE1-CD1 4.28Å; Y111-I139 HydrophobicContact CE1-CG1 3.98Å; Y111-I139 HydrophobicContact CE2-CD1 3.71Å; Y111-I139 HydrophobicContact CE2-CG1 4.32Å; Y111-I139 HydrophobicContact CG-CD1 3.71Å; Y111-I139 HydrophobicContact CG-CG1 3.89Å; Y111-L172 HydrophobicContact CE2-CD2 3.96Å; Y111-D176 PolarHBondContact OH-OD1 3.12Å; Y111-D176 PolarHBondContact OH-OD2 3.37Å; Y111-D176 VanDerWaalsContact OH-OD2 3.07Å
112S69.1Low76.2Confident74 Ų7454.7 Ų54.752%0.51731%0.309SS..BIsolated β-bridgetrans-129158.1166.857.20000110.2A106 D107A106-S112 VanDerWaalsContact O-CA 3.32Å; A106-S112 WeakPolarHBondContact O-CA 3.35Å; D107-S112 WeakPolarHBondContact OD1-CB 3.33Å
113W81.2Confident74.7Confident5 Ų550.1 Ų50.12%0.01927%0.273CS..  trans-139.7158.9174.765.4-83.9000111.3N101 G105 A106 F108 Y111 Q115 V120 V122 W169 L172 I179N101-W113 PolarHBondContact ND2-O 2.97Å; G105-W113 CarbonylContact C-O 3.59Å; G105-W113 VanDerWaalsContact CA-O 3.29Å; G105-W113 WeakPolarHBondContact CA-O 3.36Å; A106-W113 PolarHBondContact N-O 2.93Å; A106-W113 PolarHBondContact O-N 3Å; F108-W113 AromaticContact CE2-NE1 3.84Å; Y111-W113 AromaticContact CE2-CD1 3.81Å; W113-Q115 HydrophobicContact CE3-CB 4.37Å; W113-Q115 HydrophobicContact CE3-CG 4.36Å; W113-Q115 HydrophobicContact CH2-CG 4.44Å; W113-Q115 HydrophobicContact CZ3-CB 3.94Å; W113-Q115 VanDerWaalsContact CZ3-CD 3.49Å; W113-Q115 HydrophobicContact CZ3-CG 3.65Å; W113-V120 HydrophobicContact CE3-CG1 3.7Å; W113-V120 HydrophobicContact CZ3-CG1 4Å; W113-V122 HydrophobicContact CB-CG2 3.35Å; W113-V122 HydrophobicContact CG-CG2 4.24Å; W113-W169 HydrophobicContact CH2-CB 4.43Å; W113-L172 HydrophobicContact CD2-CB 4.25Å; W113-L172 HydrophobicContact CZ2-CB 4.3Å; W113-I179 HydrophobicContact CH2-CD1 4.2Å; W113-I179 HydrophobicContact CZ2-CD1 4.48Å
114T80Confident72.8Confident54 Ų5451 Ų5133%0.33127%0.271SS..  trans-133.7159.6178.960.30000109.6G103 E121G103-T114 CarbonylContact O-C 3.54Å; G103-T114 WeakPolarHBondContact O-CA 3.37Å; G103-T114 WeakPolarHBondContact O-CB 3.36Å; T114-E121 PolarHBondContact O-N 2.82Å; T114-E121 VanDerWaalsContact O-N 3.08Å
115Q85.2Confident70.8Confident8 Ų855.2 Ų55.24%0.03729%0.293CS..BIsolated β-bridgetrans-149.6153.7178.256.5171-29.600113.5G103 N104 W113 E119 V120 W168 W169G103-Q115 PolarHBondContact O-N 3.27Å; N104-Q115 HydrophobicContact CB-CG 4.27Å; N104-Q115 WeakPolarHBondContact O-CG 3.21Å; N104-Q115 PolarHBondContact O-NE2 2.72Å; W113-Q115 HydrophobicContact CE3-CB 4.37Å; W113-Q115 HydrophobicContact CE3-CG 4.36Å; W113-Q115 HydrophobicContact CH2-CG 4.44Å; W113-Q115 HydrophobicContact CZ3-CB 3.94Å; W113-Q115 VanDerWaalsContact CZ3-CD 3.49Å; W113-Q115 HydrophobicContact CZ3-CG 3.65Å; Q115-E119 WeakPolarHBondContact CA-O 3.46Å; Q115-V120 HydrophobicContact CB-CB 4.43Å; Q115-V120 HydrophobicContact CB-CG1 4.45Å; Q115-V120 HydrophobicContact CB-CG2 3.9Å; Q115-W168 HydrophobicContact CG-CE3 4Å; Q115-W168 HydrophobicContact CG-CZ3 3.97Å; Q115-W169 PolarHBondContact NE2-O 2.99Å; Q115-W169 VanDerWaalsContact OE1-N 3.11Å
116T83.6Confident69.3Low42 Ų4260 Ų6026%0.25832%0.322SS..  trans-114.8-176.9162.369.80000109.4K118 E119 K162T116-K118 PolarHBondContact O-N 2.89Å; T116-K118 PolarHBondContact OG1-N 3.16Å; T116-K118 VanDerWaalsContact OG1-N 3.14Å; T116-E119 PolarHBondContact N-O 3.06Å; T116-E119 PolarHBondContact OG1-N 2.84Å; T116-K162 WeakPolarHBondContact O-CE 3.21Å; T116-K162 PolarHBondContact O-NZ 2.96Å
117L77Confident68Low71 Ų7164.1 Ų64.137%0.37234%0.341SS..SBendtrans-62.7-20.9169.4-71.8172.8000113.1K165 W168L117-K165 CarbonylContact O-C 3.59Å; L117-K165 VanDerWaalsContact O-CA 3.29Å; L117-K165 WeakPolarHBondContact O-CA 3.37Å; L117-W168 HydrophobicContact CD2-CD2 3.98Å; L117-W168 VanDerWaalsContact CD2-CE2 3.44Å; L117-W168 HydrophobicContact CD2-CG 4.49Å; L117-W168 HydrophobicContact CD2-CH2 4.29Å; L117-W168 HydrophobicContact CD2-CZ2 3.62Å; L117-W168 HydrophobicContact CG-CH2 4.07Å; L117-W168 HydrophobicContact CG-CZ2 3.67Å
118K73.7Confident67.4Low125 Ų12559.1 Ų59.154%0.54331%0.314SS..SBendtrans-102.5-34.3-174.4-62.6171.4-172.6160.70113.4T116 K162T116-K118 PolarHBondContact O-N 2.89Å; T116-K118 PolarHBondContact OG1-N 3.16Å; T116-K118 VanDerWaalsContact OG1-N 3.14Å; K118-K162 WeakPolarHBondContact O-CB 3.25Å; K118-K162 PolarHBondContact O-N 2.77Å
119E79.4Confident67.1Low75 Ų7562.8 Ų62.835%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-142.9156.3-161.1-76.3145.8-122.500111.7Q115 T116 H159 L160Q115-E119 WeakPolarHBondContact CA-O 3.46Å; T116-E119 PolarHBondContact N-O 3.06Å; T116-E119 PolarHBondContact OG1-N 2.84Å; E119-H159 IonicContact OE2-CD2 3.78Å; E119-L160 CarbonylContact C-O 3.32Å; E119-L160 VanDerWaalsContact CA-O 3.23Å; E119-L160 WeakPolarHBondContact CA-O 3.35Å
120V79.1Confident67.2Low2 Ų258 Ų581%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-137.1141.2176.2-1760000108.1W113 Q115 L160 K162 W169 L172W113-V120 HydrophobicContact CE3-CG1 3.7Å; W113-V120 HydrophobicContact CZ3-CG1 4Å; Q115-V120 HydrophobicContact CB-CB 4.43Å; Q115-V120 HydrophobicContact CB-CG1 4.45Å; Q115-V120 HydrophobicContact CB-CG2 3.9Å; V120-L160 HydrophobicContact CB-CB 4.46Å; V120-L160 PolarHBondContact N-O 2.94Å; V120-L160 WeakPolarHBondContact O-CA 3.45Å; V120-L160 WeakPolarHBondContact O-CB 3.41Å; V120-L160 WeakPolarHBondContact O-CG 3.23Å; V120-L160 PolarHBondContact O-N 3.24Å; V120-K162 HydrophobicContact CG2-CD 4.13Å; V120-K162 HydrophobicContact CG2-CG 3.87Å; V120-W169 HydrophobicContact CB-CE3 4.43Å; V120-W169 HydrophobicContact CB-CH2 4.42Å; V120-W169 HydrophobicContact CB-CZ3 4.12Å; V120-W169 HydrophobicContact CG1-CE3 4.26Å; V120-W169 HydrophobicContact CG1-CZ3 4.12Å; V120-W169 HydrophobicContact CG2-CD2 3.9Å; V120-W169 HydrophobicContact CG2-CE3 3.73Å; V120-W169 HydrophobicContact CG2-CH2 3.94Å; V120-W169 HydrophobicContact CG2-CZ2 4.13Å; V120-W169 HydrophobicContact CG2-CZ3 3.75Å; V120-L172 HydrophobicContact CG1-CD1 3.8Å
121E69.1Low67.7Low62 Ų6254.1 Ų54.129%0.2929%0.288SS..EExtended strand (participates in β ladder)trans-10984.4-173.9-165.7172.5-153.800115.2T114 A157 I158 H159T114-E121 PolarHBondContact O-N 2.82Å; T114-E121 VanDerWaalsContact O-N 3.08Å; E121-A157 HydrophobicContact CG-CB 4.4Å; E121-A157 WeakPolarHBondContact OE1-CB 3.29Å; E121-I158 CarbonylContact C-O 3.13Å; E121-I158 WeakPolarHBondContact CA-O 3.49Å; E121-I158 VanDerWaalsContact CG-O 3.3Å; E121-I158 WeakPolarHBondContact CG-O 3.22Å; E121-H159 VanDerWaalsContact CD-ND1 3.33Å; E121-H159 IonicContact OE1-CE1 2.85Å; E121-H159 PolarHBondContact OE1-CE1 2.94Å; E121-H159 IonicContact OE1-ND1 2.77Å; E121-H159 PolarHBondContact OE1-ND1 3.08Å; E121-H159 IonicContact OE2-CE1 3.89Å
122V61.6Low67.7Low9 Ų956.2 Ų56.26%0.05531%0.305CS..  trans-148.4152.3169.5-161.60000113.9W113 L128 I139 I158 L160 L172W113-V122 HydrophobicContact CB-CG2 3.35Å; W113-V122 HydrophobicContact CG-CG2 4.24Å; V122-L128 HydrophobicContact CB-CD2 4.27Å; V122-L128 HydrophobicContact CG1-CD2 3.92Å; V122-I139 HydrophobicContact CG1-CD1 3.43Å; V122-I139 VanDerWaalsContact CG1-CD1 3.43Å; V122-I158 CarbonylContact C-O 3.59Å; V122-I158 PolarHBondContact N-O 3.32Å; V122-I158 VanDerWaalsContact O-CG2 3.32Å; V122-I158 WeakPolarHBondContact O-CG2 3.38Å; V122-L160 WeakPolarHBondContact O-CD1 3.49Å; V122-L160 VanDerWaalsContact O-CD2 3.24Å; V122-L160 WeakPolarHBondContact O-CD2 3.2Å; V122-L160 VanDerWaalsContact O-CG 3.25Å; V122-L160 WeakPolarHBondContact O-CG 3.16Å; V122-L172 HydrophobicContact CB-CD1 3.88Å; V122-L172 HydrophobicContact CB-CD2 3.96Å; V122-L172 HydrophobicContact CG1-CD2 3.92Å; V122-L172 HydrophobicContact CG2-CD1 3.49Å; V122-L172 VanDerWaalsContact CG2-CD1 3.49Å; V122-L172 HydrophobicContact CG2-CD2 3.56Å; V122-L172 HydrophobicContact CG2-CG 4.13Å
123N48.9Very low67.8Low39 Ų3964.8 Ų64.821%0.20933%0.326CS..  trans-83.1152.9177.3-59.7-129.6000110.5L128 V130 A156 I158N123-L128 WeakPolarHBondContact O-CD1 3.44Å; N123-L128 WeakPolarHBondContact O-CG 3.23Å; N123-V130 HydrophobicContact CB-CG1 4.18Å; N123-V130 HydrophobicContact CB-CG2 3.65Å; N123-V130 WeakPolarHBondContact O-CG2 3.24Å; N123-A156 PolarHBondContact ND2-O 2.85Å; N123-I158 HydrophobicContact CB-CB 4.29Å; N123-I158 HydrophobicContact CB-CD1 3.75Å; N123-I158 HydrophobicContact CB-CG1 4.16Å; N123-I158 WeakPolarHBondContact OD1-CD1 3.31Å; N123-I158 WeakPolarHBondContact OD1-CG1 3.32Å
124Y40.8Very low67.7Low40 Ų4068.6 Ų68.616%0.15737%0.366CS..  -147.2166.2-63.9-140-13.1000112.1L128 I147 L149 E150 I158 L160Y124-L128 VanDerWaalsContact N-CD1 3.27Å; Y124-I147 HydrophobicContact CD1-CD1 4.02Å; Y124-I147 HydrophobicContact CE1-CD1 3.96Å; Y124-L149 HydrophobicContact CD1-CD1 4.28Å; Y124-L149 HydrophobicContact CE1-CD1 3.82Å; Y124-L149 HydrophobicContact CE2-CD1 4.5Å; Y124-E150 VanDerWaalsContact CE2-O 3.3Å; Y124-E150 WeakPolarHBondContact CE2-O 3.32Å; Y124-E150 PolarHBondContact OH-N 2.91Å; Y124-E150 PolarHBondContact OH-O 3.15Å; Y124-I158 HydrophobicContact CD1-CG2 4.42Å; Y124-I158 HydrophobicContact CD2-CD1 3.87Å; Y124-I158 HydrophobicContact CD2-CG2 3.79Å; Y124-I158 HydrophobicContact CE1-CG2 4.45Å; Y124-I158 HydrophobicContact CE2-CD1 4.45Å; Y124-I158 HydrophobicContact CE2-CG2 3.81Å; Y124-I158 HydrophobicContact CG-CG2 4.08Å; Y124-L160 HydrophobicContact CD1-CD2 3.36Å; Y124-L160 HydrophobicContact CE1-CD2 3.16Å; Y124-L160 HydrophobicContact CG-CD2 4.32Å
125L45.1Very low67.5Low108 Ų10872.3 Ų72.357%0.56538%0.38SS*.THydrogen-bonded Turntrans72.380.6163.2-98.4171.5000123.2H127 L149L125-H127 CarbonylContact O-C 3.57Å; L125-H127 WeakPolarHBondContact O-CA 2.92Å; L125-H127 PolarHBondContact O-N 3.07Å; L125-H127 VanDerWaalsContact O-O 3.04Å; L125-L149 HydrophobicContact CD2-CD1 4.02Å; L125-L149 HydrophobicContact CG-CD1 3.9Å
126T53.4Low67.1Low101 Ų10177 Ų7762%0.6241%0.411SS*.THydrogen-bonded Turntrans49.7-59.1177.161.20000116E142 L143T126-E142 WeakPolarHBondContact O-CA 3.29Å; T126-L143 PolarHBondContact O-N 2.98Å
127H56.3Low66.7Low89 Ų8977.4 Ų77.441%0.41241%0.414SS..EExtended strand (participates in β ladder)trans-92.4102.9156.6-177.6-61.7000108.8L125 K129 D140 G141L125-H127 CarbonylContact O-C 3.57Å; L125-H127 WeakPolarHBondContact O-CA 2.92Å; L125-H127 PolarHBondContact O-N 3.07Å; L125-H127 VanDerWaalsContact O-O 3.04Å; H127-K129 PolarHBondContact O-N 3.2Å; H127-K129 VanDerWaalsContact O-N 3.14Å; H127-D140 VanDerWaalsContact CE1-C 3.46Å; H127-D140 IonicContact CE1-OD1 2.65Å; H127-D140 PolarHBondContact CE1-OD1 3.16Å; H127-D140 IonicContact ND1-OD1 2.85Å; H127-D140 IonicContact NE2-OD1 2.63Å; H127-G141 CarbonylContact C-O 3.56Å; H127-G141 PolarHBondContact CE1-N 3.19Å; H127-G141 VanDerWaalsContact CE1-N 3.27Å
128L64.7Low66.6Low0 Ų077.1 Ų77.10%041%0.412CS..EExtended strand (participates in β ladder)trans-65.9106.7178.6-148.970.6000110.8V122 N123 Y124 I139 D140 G141 L143 L172 V173V122-L128 HydrophobicContact CB-CD2 4.27Å; V122-L128 HydrophobicContact CG1-CD2 3.92Å; N123-L128 WeakPolarHBondContact O-CD1 3.44Å; N123-L128 WeakPolarHBondContact O-CG 3.23Å; Y124-L128 VanDerWaalsContact N-CD1 3.27Å; L128-I139 HydrophobicContact CB-CG2 4.48Å; L128-I139 HydrophobicContact CD2-CD1 4.46Å; L128-I139 HydrophobicContact CD2-CG2 4.07Å; L128-I139 HydrophobicContact CG-CG2 4.48Å; L128-I139 CarbonylContact O-C 3.53Å; L128-D140 WeakPolarHBondContact O-CA 3.49Å; L128-D140 PolarHBondContact O-N 3.06Å; L128-G141 WeakPolarHBondContact CA-O 3.35Å; L128-G141 VanDerWaalsContact CB-O 3.28Å; L128-G141 WeakPolarHBondContact CB-O 3.42Å; L128-G141 PolarHBondContact N-O 3.47Å; L128-G141 PolarHBondContact O-N 2.95Å; L128-L143 HydrophobicContact CB-CD2 4.48Å; L128-L143 HydrophobicContact CB-CG 4.31Å; L128-L143 HydrophobicContact CD1-CD1 4.06Å; L128-L143 HydrophobicContact CD1-CD2 3.82Å; L128-L143 HydrophobicContact CD1-CG 3.93Å; L128-L143 HydrophobicContact CD2-CD2 3.96Å; L128-L143 HydrophobicContact CG-CD2 4.33Å; L128-L172 HydrophobicContact CD2-CD1 4.26Å; L128-L172 HydrophobicContact CD2-CD2 3.49Å; L128-L172 VanDerWaalsContact CD2-CD2 3.49Å; L128-L172 HydrophobicContact CD2-CG 3.79Å; L128-V173 HydrophobicContact CB-CG1 3.52Å; L128-V173 HydrophobicContact CD2-CG1 3.54Å; L128-V173 HydrophobicContact CG-CG1 4.14Å
129K65.8Low66.7Low123 Ų12371.5 Ų71.554%0.53539%0.388SS..EExtended strand (participates in β ladder)trans-120.9109.2174.5-159.2-175.7-165.3870112.3H127 P137 I139 D140H127-K129 PolarHBondContact O-N 3.2Å; H127-K129 VanDerWaalsContact O-N 3.14Å; K129-P137 HydrophobicContact CG-CB 4.03Å; K129-I139 CarbonylContact C-O 3.5Å; K129-I139 VanDerWaalsContact CA-O 3.29Å; K129-I139 WeakPolarHBondContact CA-O 3.48Å; K129-D140 IonicContact NZ-OD1 2.61Å; K129-D140 PolarHBondContact NZ-OD1 3.32Å; K129-D140 IonicContact NZ-OD2 3.98Å; K129-D140 PolarHBondContact NZ-OD2 2.86Å
130V69.4Low66.7Low27 Ų2771.6 Ų71.616%0.16439%0.391CS..EExtended strand (participates in β ladder)trans-119.3137.2-179.1-167.30000109N123 P137 I138 I139N123-V130 HydrophobicContact CB-CG1 4.18Å; N123-V130 HydrophobicContact CB-CG2 3.65Å; N123-V130 WeakPolarHBondContact O-CG2 3.24Å; V130-P137 CarbonylContact O-C 3.3Å; V130-P137 VanDerWaalsContact O-C 3.3Å; V130-P137 WeakPolarHBondContact O-CA 3.48Å; V130-P137 VanDerWaalsContact O-CB 3.31Å; V130-P137 WeakPolarHBondContact O-CB 3.25Å; V130-I138 PolarHBondContact O-N 3.42Å; V130-I139 HydrophobicContact CB-CB 4.15Å; V130-I139 HydrophobicContact CB-CD1 4.39Å; V130-I139 HydrophobicContact CB-CG1 4.16Å; V130-I139 HydrophobicContact CG2-CB 3.98Å; V130-I139 HydrophobicContact CG2-CD1 3.93Å; V130-I139 HydrophobicContact CG2-CG1 4.11Å; V130-I139 PolarHBondContact N-O 3.31Å; V130-I139 PolarHBondContact O-N 3.49Å
131G68Low66.8Low43 Ų4371.7 Ų71.744%0.44339%0.392SS..  trans-175.6151.9174.500000112.9
132V70.9Confident67.4Low84 Ų8474.6 Ų74.651%0.50941%0.406SS..  trans-72.9133170.2-1790000108.4G134 Q135 I138V132-G134 PolarHBondContact O-N 3.28Å; V132-Q135 HydrophobicContact CB-CB 4.38Å; V132-Q135 PolarHBondContact O-N 2.64Å; V132-I138 HydrophobicContact CG2-CD1 4.42Å
133R71.8Confident68.4Low254 Ų25475 Ų7596%0.95841%0.408SS*.THydrogen-bonded Turntrans-58.2115.1-177.8-175.1-178.5-177.5-172.31.2110.9
134G77.5Confident70.1Confident84 Ų8476.5 Ų76.587%0.86642%0.416SS*.THydrogen-bonded Turntrans100.6-1.2-178.200000114.6V132V132-G134 PolarHBondContact O-N 3.28Å
135Q76.9Confident72.1Confident133 Ų13377.1 Ų77.162%0.62142%0.422SS*.SBendtrans-112.2165.5170.6-68.7-168.9-11.700110.9V132V132-Q135 HydrophobicContact CB-CB 4.38Å; V132-Q135 PolarHBondContact O-N 2.64Å
136P77.2Confident73.5Confident107 Ų10780.1 Ų80.170%0.69543%0.43SS*.  trans-54152166.4-24.435.5000111.7I138P136-I138 PolarHBondContact O-N 2.93Å
137P74.9Confident74.6Confident50 Ų5077 Ų7733%0.32541%0.409SS..  trans-65.2133.6171.827.1-30.8000110.5K129 V130 D140K129-P137 HydrophobicContact CG-CB 4.03Å; V130-P137 CarbonylContact O-C 3.3Å; V130-P137 VanDerWaalsContact O-C 3.3Å; V130-P137 WeakPolarHBondContact O-CA 3.48Å; V130-P137 VanDerWaalsContact O-CB 3.31Å; V130-P137 WeakPolarHBondContact O-CB 3.25Å; P137-D140 HydrophobicContact CB-CB 4.12Å; P137-D140 HydrophobicContact CG-CB 3.91Å; P137-D140 WeakPolarHBondContact CG-OD2 3.34Å
138I75.1Confident74.9Confident64 Ų6477.2 Ų77.233%0.32841%0.409SS..SBendtrans-72.1-36175.4-63.7169000110.3D110 Y111 V130 V132 P136D110-I138 HydrophobicContact CB-CG2 3.99Å; D110-I138 VanDerWaalsContact O-CG2 3.26Å; D110-I138 WeakPolarHBondContact O-CG2 3.19Å; Y111-I138 HydrophobicContact CD1-CG2 4.26Å; Y111-I138 HydrophobicContact CG-CG2 4.43Å; V130-I138 PolarHBondContact O-N 3.42Å; V132-I138 HydrophobicContact CG2-CD1 4.42Å; P136-I138 PolarHBondContact O-N 2.93Å
139I75.9Confident74.6Confident8 Ų882 Ų824%0.04143%0.434CS..EExtended strand (participates in β ladder)trans-132.9133.3173.3-42.1177.4000107.3Y111 V122 L128 K129 V130 L172 V173Y111-I139 HydrophobicContact CD1-CD1 4.09Å; Y111-I139 HydrophobicContact CD1-CG1 3.79Å; Y111-I139 HydrophobicContact CD2-CD1 3.51Å; Y111-I139 HydrophobicContact CD2-CG1 4.16Å; Y111-I139 HydrophobicContact CE1-CD1 4.28Å; Y111-I139 HydrophobicContact CE1-CG1 3.98Å; Y111-I139 HydrophobicContact CE2-CD1 3.71Å; Y111-I139 HydrophobicContact CE2-CG1 4.32Å; Y111-I139 HydrophobicContact CG-CD1 3.71Å; Y111-I139 HydrophobicContact CG-CG1 3.89Å; V122-I139 HydrophobicContact CG1-CD1 3.43Å; V122-I139 VanDerWaalsContact CG1-CD1 3.43Å; L128-I139 HydrophobicContact CB-CG2 4.48Å; L128-I139 HydrophobicContact CD2-CD1 4.46Å; L128-I139 HydrophobicContact CD2-CG2 4.07Å; L128-I139 HydrophobicContact CG-CG2 4.48Å; L128-I139 CarbonylContact O-C 3.53Å; K129-I139 CarbonylContact C-O 3.5Å; K129-I139 VanDerWaalsContact CA-O 3.29Å; K129-I139 WeakPolarHBondContact CA-O 3.48Å; V130-I139 HydrophobicContact CB-CB 4.15Å; V130-I139 HydrophobicContact CB-CD1 4.39Å; V130-I139 HydrophobicContact CB-CG1 4.16Å; V130-I139 HydrophobicContact CG2-CB 3.98Å; V130-I139 HydrophobicContact CG2-CD1 3.93Å; V130-I139 HydrophobicContact CG2-CG1 4.11Å; V130-I139 PolarHBondContact N-O 3.31Å; V130-I139 PolarHBondContact O-N 3.49Å; I139-L172 HydrophobicContact CD1-CD2 4.36Å; I139-V173 HydrophobicContact CG2-CG1 4.3Å; I139-V173 HydrophobicContact CG2-CG2 4.14Å
140D78.6Confident74.1Confident76 Ų7681.8 Ų81.841%0.40644%0.435SS..EExtended strand (participates in β ladder)trans-150.474.9-176.3-152.32.8000108H127 L128 K129 P137H127-D140 VanDerWaalsContact CE1-C 3.46Å; H127-D140 IonicContact CE1-OD1 2.65Å; H127-D140 PolarHBondContact CE1-OD1 3.16Å; H127-D140 IonicContact ND1-OD1 2.85Å; H127-D140 IonicContact NE2-OD1 2.63Å; L128-D140 WeakPolarHBondContact O-CA 3.49Å; L128-D140 PolarHBondContact O-N 3.06Å; K129-D140 IonicContact NZ-OD1 2.61Å; K129-D140 PolarHBondContact NZ-OD1 3.32Å; K129-D140 IonicContact NZ-OD2 3.98Å; K129-D140 PolarHBondContact NZ-OD2 2.86Å; P137-D140 HydrophobicContact CB-CB 4.12Å; P137-D140 HydrophobicContact CG-CB 3.91Å; P137-D140 WeakPolarHBondContact CG-OD2 3.34Å
141G80.2Confident73.3Confident4 Ų489.8 Ų89.84%0.04147%0.471CS..EExtended strand (participates in β ladder)trans-159.5159.2-174.800000115H127 L128 V173H127-G141 CarbonylContact C-O 3.56Å; H127-G141 PolarHBondContact CE1-N 3.19Å; H127-G141 VanDerWaalsContact CE1-N 3.27Å; L128-G141 WeakPolarHBondContact CA-O 3.35Å; L128-G141 VanDerWaalsContact CB-O 3.28Å; L128-G141 WeakPolarHBondContact CB-O 3.42Å; L128-G141 PolarHBondContact N-O 3.47Å; L128-G141 PolarHBondContact O-N 2.95Å; G141-V173 WeakPolarHBondContact O-CG1 3.43Å
142E82.9Confident72.4Confident123 Ų12391.3 Ų91.358%0.57547%0.469SS*.EExtended strand (participates in β ladder)trans-73.1132.9177.2-172.1170-166.200111.2T126 D144 V173 T174T126-E142 WeakPolarHBondContact O-CA 3.29Å; E142-D144 PolarHBondContact O-N 2.6Å; E142-V173 CarbonylContact O-C 3.59Å; E142-V173 WeakPolarHBondContact O-CA 3.36Å; E142-V173 VanDerWaalsContact O-CB 3.24Å; E142-V173 WeakPolarHBondContact O-CB 3.37Å; E142-T174 PolarHBondContact O-N 2.83Å; E142-T174 PolarHBondContact O-OG1 3.26Å
143L83.2Confident71.5Confident17 Ų1790.1 Ų90.19%0.08947%0.473CS..BIsolated β-bridgetrans-61.7128174.2-81.7171.9000110.3T126 L128 N145 I147 L172 V173T126-L143 PolarHBondContact O-N 2.98Å; L128-L143 HydrophobicContact CB-CD2 4.48Å; L128-L143 HydrophobicContact CB-CG 4.31Å; L128-L143 HydrophobicContact CD1-CD1 4.06Å; L128-L143 HydrophobicContact CD1-CD2 3.82Å; L128-L143 HydrophobicContact CD1-CG 3.93Å; L128-L143 HydrophobicContact CD2-CD2 3.96Å; L128-L143 HydrophobicContact CG-CD2 4.33Å; L143-N145 PolarHBondContact O-N 2.81Å; L143-I147 HydrophobicContact CD1-CD1 3.5Å; L143-I147 HydrophobicContact CD1-CG1 3.87Å; L143-I147 HydrophobicContact CD1-CG2 4.35Å; L143-L172 HydrophobicContact CD2-CD1 4.24Å; L143-L172 HydrophobicContact CD2-CG 4.35Å; L143-L172 WeakPolarHBondContact CD2-O 3.18Å; L143-V173 HydrophobicContact CD2-CG1 4.33Å
144D84.5Confident70.4Confident72 Ų7288.7 Ų88.739%0.38547%0.474SS..SBendtrans-65.9-25.6178.7-168.666.8000111.9E142 R171 L172 T174E142-D144 PolarHBondContact O-N 2.6Å; D144-R171 HydrophobicContact CB-CB 4.14Å; D144-L172 PolarHBondContact N-O 3.03Å; D144-T174 HydrophobicContact CB-CG2 4.35Å
145N82.8Confident69Low52 Ų5289.6 Ų89.628%0.27846%0.462SS..SBendtrans-133.1152.8-171.4-75.1-82.4000113.5L143 W169L143-N145 PolarHBondContact O-N 2.81Å; N145-W169 HydrophobicContact CB-CD2 3.72Å; N145-W169 HydrophobicContact CB-CE3 4.11Å; N145-W169 HydrophobicContact CB-CG 4.34Å; N145-W169 HydrophobicContact CB-CH2 3.82Å; N145-W169 HydrophobicContact CB-CZ2 3.36Å; N145-W169 HydrophobicContact CB-CZ3 4.17Å
146K74.4Confident68.3Low172 Ų17288 Ų8875%0.74847%0.472SS*.  trans-76.9131.8-178.7-67.3178.9-178172.90111.9V163K146-V163 HydrophobicContact CB-CB 4.18Å; K146-V163 HydrophobicContact CB-CG2 4.03Å; K146-V163 WeakPolarHBondContact O-CB 3.49Å; K146-V163 WeakPolarHBondContact O-CG2 3.24Å; K146-V163 PolarHBondContact O-N 3.47Å; K146-V163 VanDerWaalsContact O-N 3.15Å
147I76.1Confident67.5Low34 Ų3485.1 Ų85.117%0.17446%0.457CS..EExtended strand (participates in β ladder)trans-115.3152.7178.854.3165.4000112.1Y124 L143 L160 E161 W169Y124-I147 HydrophobicContact CD1-CD1 4.02Å; Y124-I147 HydrophobicContact CE1-CD1 3.96Å; L143-I147 HydrophobicContact CD1-CD1 3.5Å; L143-I147 HydrophobicContact CD1-CG1 3.87Å; L143-I147 HydrophobicContact CD1-CG2 4.35Å; I147-L160 HydrophobicContact CB-CB 4.5Å; I147-L160 HydrophobicContact CD1-CD2 3.86Å; I147-L160 HydrophobicContact CG2-CB 3.94Å; I147-L160 HydrophobicContact CG2-CD1 4.21Å; I147-E161 WeakPolarHBondContact CA-O 3.37Å; I147-W169 HydrophobicContact CG2-CH2 3.54Å; I147-W169 HydrophobicContact CG2-CZ2 4.21Å
148K61.3Low67.2Low94 Ų9483.2 Ų83.241%0.40944%0.444SS..EExtended strand (participates in β ladder)trans-93131.1163.6173.5168.9154.1-68.30109.1E150 E161K148-E150 IonicContact NZ-OE1 3.11Å; K148-E150 PolarHBondContact NZ-OE1 2.94Å; K148-E150 VanDerWaalsContact NZ-OE1 3.11Å; K148-E161 HydrophobicContact CB-CB 4.26Å; K148-E161 WeakPolarHBondContact CD-OE2 3.35Å; K148-E161 WeakPolarHBondContact CE-OE2 3.18Å; K148-E161 PolarHBondContact N-O 3.31Å; K148-E161 IonicContact NZ-OE2 3.78Å; K148-E161 PolarHBondContact NZ-OE2 3.48Å
149L58.5Low67Low101 Ų10184.7 Ų84.753%0.52945%0.45SS..  trans-80.3132.4-176.3-168.683.1000111.3Y124 L125Y124-L149 HydrophobicContact CD1-CD1 4.28Å; Y124-L149 HydrophobicContact CE1-CD1 3.82Å; Y124-L149 HydrophobicContact CE2-CD1 4.5Å; L125-L149 HydrophobicContact CD2-CD1 4.02Å; L125-L149 HydrophobicContact CG-CD1 3.9Å
150E56.9Low67.1Low118 Ų11884.3 Ų84.355%0.55145%0.448SS*.  trans-139.5134.2168.7-114170-142.900111.7Y124 K148 N152Y124-E150 VanDerWaalsContact CE2-O 3.3Å; Y124-E150 WeakPolarHBondContact CE2-O 3.32Å; Y124-E150 PolarHBondContact OH-N 2.91Å; Y124-E150 PolarHBondContact OH-O 3.15Å; K148-E150 IonicContact NZ-OE1 3.11Å; K148-E150 PolarHBondContact NZ-OE1 2.94Å; K148-E150 VanDerWaalsContact NZ-OE1 3.11Å; E150-N152 PolarHBondContact O-N 3.06Å
151E51.9Low67.1Low196 Ų19683.2 Ų83.292%0.91644%0.44SS*.  trans-68.1101.1-174.6-69.1-172.3149.100112.1
152N49.2Very low67.2Low75 Ų7583.1 Ų83.140%0.40144%0.438SS..  trans-95.8135.6172.6-75.9-40.9000111E150 I158 H159E150-N152 PolarHBondContact O-N 3.06Å; N152-I158 HydrophobicContact CB-CD1 4.39Å; N152-I158 HydrophobicContact CB-CG1 4.25Å; N152-H159 PolarHBondContact ND2-O 2.9Å
153G51.1Low66.9Low58 Ų5881.6 Ų81.660%0.59844%0.438SS*.  trans-75-165.6-174.800000114.4V155G153-V155 PolarHBondContact O-N 3.4Å
154K49.4Very low66.6Low224 Ų22484 Ų8497%0.97445%0.451SS*.SBendtrans-72.758-178.2-63.6-179178.4176.60113.7
155V48.6Very low66.1Low103 Ų10384.7 Ų84.762%0.62445%0.45SS*.  trans-121.1145.9178-173.50000108.7G153 A157G153-V155 PolarHBondContact O-N 3.4Å; V155-A157 PolarHBondContact O-N 2.89Å; V155-A157 VanDerWaalsContact O-N 3.15Å
156A61.4Low65.9Low100 Ų10089.7 Ų89.783%0.82647%0.474SS*.SBendtrans-68.7-9.9-173.100000114.7N123N123-A156 PolarHBondContact ND2-O 2.85Å
157A61.7Low66.3Low46 Ų4685.9 Ų85.938%0.3846%0.462SS..  trans-119.9138.2-175.800000109.1E121 V155E121-A157 HydrophobicContact CG-CB 4.4Å; E121-A157 WeakPolarHBondContact OE1-CB 3.29Å; V155-A157 PolarHBondContact O-N 2.89Å; V155-A157 VanDerWaalsContact O-N 3.15Å
158I68.5Low66.8Low10 Ų1087 Ų875%0.05146%0.464CS..  trans-135.8115.6-172.9-73.8-161.9000110.4E121 V122 N123 Y124 N152 L160E121-I158 CarbonylContact C-O 3.13Å; E121-I158 WeakPolarHBondContact CA-O 3.49Å; E121-I158 VanDerWaalsContact CG-O 3.3Å; E121-I158 WeakPolarHBondContact CG-O 3.22Å; V122-I158 CarbonylContact C-O 3.59Å; V122-I158 PolarHBondContact N-O 3.32Å; V122-I158 VanDerWaalsContact O-CG2 3.32Å; V122-I158 WeakPolarHBondContact O-CG2 3.38Å; N123-I158 HydrophobicContact CB-CB 4.29Å; N123-I158 HydrophobicContact CB-CD1 3.75Å; N123-I158 HydrophobicContact CB-CG1 4.16Å; N123-I158 WeakPolarHBondContact OD1-CD1 3.31Å; N123-I158 WeakPolarHBondContact OD1-CG1 3.32Å; Y124-I158 HydrophobicContact CD1-CG2 4.42Å; Y124-I158 HydrophobicContact CD2-CD1 3.87Å; Y124-I158 HydrophobicContact CD2-CG2 3.79Å; Y124-I158 HydrophobicContact CE1-CG2 4.45Å; Y124-I158 HydrophobicContact CE2-CD1 4.45Å; Y124-I158 HydrophobicContact CE2-CG2 3.81Å; Y124-I158 HydrophobicContact CG-CG2 4.08Å; N152-I158 HydrophobicContact CB-CD1 4.39Å; N152-I158 HydrophobicContact CB-CG1 4.25Å; I158-L160 HydrophobicContact CG2-CD2 4.01Å
159H71Confident68.1Low96 Ų9682.9 Ų82.944%0.44445%0.445SS..EExtended strand (participates in β ladder)trans-76135.3173-73.341.2000111.3E119 E121 N152E119-H159 IonicContact OE2-CD2 3.78Å; E121-H159 VanDerWaalsContact CD-ND1 3.33Å; E121-H159 IonicContact OE1-CE1 2.85Å; E121-H159 PolarHBondContact OE1-CE1 2.94Å; E121-H159 IonicContact OE1-ND1 2.77Å; E121-H159 PolarHBondContact OE1-ND1 3.08Å; E121-H159 IonicContact OE2-CE1 3.89Å; N152-H159 PolarHBondContact ND2-O 2.9Å
160L76.6Confident69.7Low0 Ų083.1 Ų83.10%044%0.444CS..EExtended strand (participates in β ladder)trans-117.3121.6173.6-51.9177000108.4E119 V120 V122 Y124 I147 I158E119-L160 CarbonylContact C-O 3.32Å; E119-L160 VanDerWaalsContact CA-O 3.23Å; E119-L160 WeakPolarHBondContact CA-O 3.35Å; V120-L160 HydrophobicContact CB-CB 4.46Å; V120-L160 PolarHBondContact N-O 2.94Å; V120-L160 WeakPolarHBondContact O-CA 3.45Å; V120-L160 WeakPolarHBondContact O-CB 3.41Å; V120-L160 WeakPolarHBondContact O-CG 3.23Å; V120-L160 PolarHBondContact O-N 3.24Å; V122-L160 WeakPolarHBondContact O-CD1 3.49Å; V122-L160 VanDerWaalsContact O-CD2 3.24Å; V122-L160 WeakPolarHBondContact O-CD2 3.2Å; V122-L160 VanDerWaalsContact O-CG 3.25Å; V122-L160 WeakPolarHBondContact O-CG 3.16Å; Y124-L160 HydrophobicContact CD1-CD2 3.36Å; Y124-L160 HydrophobicContact CE1-CD2 3.16Å; Y124-L160 HydrophobicContact CG-CD2 4.32Å; I147-L160 HydrophobicContact CB-CB 4.5Å; I147-L160 HydrophobicContact CD1-CD2 3.86Å; I147-L160 HydrophobicContact CG2-CB 3.94Å; I147-L160 HydrophobicContact CG2-CD1 4.21Å; I158-L160 HydrophobicContact CG2-CD2 4.01Å
161E79.7Confident71.3Confident53 Ų5381.2 Ų81.225%0.24843%0.432CS..EExtended strand (participates in β ladder)trans-80.1123.2172.5-177-176.7-169.900109.6I147 K148 K165I147-E161 WeakPolarHBondContact CA-O 3.37Å; K148-E161 HydrophobicContact CB-CB 4.26Å; K148-E161 WeakPolarHBondContact CD-OE2 3.35Å; K148-E161 WeakPolarHBondContact CE-OE2 3.18Å; K148-E161 PolarHBondContact N-O 3.31Å; K148-E161 IonicContact NZ-OE2 3.78Å; K148-E161 PolarHBondContact NZ-OE2 3.48Å; E161-K165 WeakPolarHBondContact OE1-CE 3.35Å; E161-K165 IonicContact OE1-NZ 2.98Å; E161-K165 PolarHBondContact OE1-NZ 3.03Å
162K81.6Confident72.8Confident1 Ų171.9 Ų71.90%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-67.4134175.6-59.1-178.7168.8177.90109.9T116 K118 V120 D164 K165 N167 W169T116-K162 WeakPolarHBondContact O-CE 3.21Å; T116-K162 PolarHBondContact O-NZ 2.96Å; K118-K162 WeakPolarHBondContact O-CB 3.25Å; K118-K162 PolarHBondContact O-N 2.77Å; V120-K162 HydrophobicContact CG2-CD 4.13Å; V120-K162 HydrophobicContact CG2-CG 3.87Å; K162-D164 WeakPolarHBondContact CB-O 3.15Å; K162-K165 VanDerWaalsContact O-CE 3.31Å; K162-K165 WeakPolarHBondContact O-CE 3.48Å; K162-N167 PolarHBondContact NZ-O 3.12Å; K162-W169 HydrophobicContact CB-CZ2 4.27Å; K162-W169 HydrophobicContact CD-CZ2 4.38Å; K162-W169 HydrophobicContact CG-CZ2 3.72Å
163V76.6Confident74.6Confident92 Ų9268.3 Ų68.356%0.55837%0.369SS*.SBendtrans-69.4-43.2170.6173.90000110.4K146K146-V163 HydrophobicContact CB-CB 4.18Å; K146-V163 HydrophobicContact CB-CG2 4.03Å; K146-V163 WeakPolarHBondContact O-CB 3.49Å; K146-V163 WeakPolarHBondContact O-CG2 3.24Å; K146-V163 PolarHBondContact O-N 3.47Å; K146-V163 VanDerWaalsContact O-N 3.15Å
164D77.9Confident76.2Confident68 Ų6868.4 Ų68.436%0.36436%0.358SS..  trans-92.8117.2169.7-176.3-0.3000110K162 M166 N167K162-D164 WeakPolarHBondContact CB-O 3.15Å; D164-M166 WeakPolarHBondContact OD1-CB 3.29Å; D164-M166 PolarHBondContact OD1-N 2.9Å; D164-N167 PolarHBondContact OD2-ND2 3.08Å
165K74.1Confident77.8Confident85 Ų8562.6 Ų62.637%0.3734%0.341SS..SBendtrans-102.810.7-176.5-56.2-169.6179.8-166.20113.6L117 E161 K162L117-K165 CarbonylContact O-C 3.59Å; L117-K165 VanDerWaalsContact O-CA 3.29Å; L117-K165 WeakPolarHBondContact O-CA 3.37Å; E161-K165 WeakPolarHBondContact OE1-CE 3.35Å; E161-K165 IonicContact OE1-NZ 2.98Å; E161-K165 PolarHBondContact OE1-NZ 3.03Å; K162-K165 VanDerWaalsContact O-CE 3.31Å; K162-K165 WeakPolarHBondContact O-CE 3.48Å
166M78.2Confident79.6Confident158 Ų15858.4 Ų58.478%0.77832%0.315SS*.SBendtrans-103.1-21.9179.5-62-60.5178.400112.8D164D164-M166 WeakPolarHBondContact OD1-CB 3.29Å; D164-M166 PolarHBondContact OD1-N 2.9Å
167N81.6Confident80.8Confident92 Ų9256.7 Ų56.749%0.49230%0.295SS..  trans-111.8139.5-171.1-70.8-49.1000113.7K162 D164K162-N167 PolarHBondContact NZ-O 3.12Å; D164-N167 PolarHBondContact OD2-ND2 3.08Å
168W87.4Confident82.2Confident58 Ų5855.5 Ų55.522%0.2228%0.283CS..  trans-76.6139.8165.2-66.5113.3000109.6N104 Q115 L117 T181 V184 P186N104-W168 HydrophobicContact CB-CZ3 4.2Å; Q115-W168 HydrophobicContact CG-CE3 4Å; Q115-W168 HydrophobicContact CG-CZ3 3.97Å; L117-W168 HydrophobicContact CD2-CD2 3.98Å; L117-W168 VanDerWaalsContact CD2-CE2 3.44Å; L117-W168 HydrophobicContact CD2-CG 4.49Å; L117-W168 HydrophobicContact CD2-CH2 4.29Å; L117-W168 HydrophobicContact CD2-CZ2 3.62Å; L117-W168 HydrophobicContact CG-CH2 4.07Å; L117-W168 HydrophobicContact CG-CZ2 3.67Å; W168-T181 HydrophobicContact CB-CG2 3.79Å; W168-V184 HydrophobicContact CD2-CB 4.48Å; W168-V184 HydrophobicContact CD2-CG1 3.46Å; W168-V184 VanDerWaalsContact CD2-CG1 3.46Å; W168-V184 HydrophobicContact CE3-CG1 3.8Å; W168-V184 HydrophobicContact CG-CG1 3.94Å; W168-V184 HydrophobicContact CH2-CG1 3.88Å; W168-V184 HydrophobicContact CZ2-CG1 3.56Å; W168-V184 HydrophobicContact CZ3-CG1 3.99Å; W168-P186 HydrophobicContact CZ2-CB 4.17Å
169W89.4Confident83.2Confident6 Ų655.1 Ų55.12%0.02328%0.281CS..  trans-86.6129.2178-65.93.8000109.6W113 Q115 V120 N145 I147 K162 L172W113-W169 HydrophobicContact CH2-CB 4.43Å; Q115-W169 PolarHBondContact NE2-O 2.99Å; Q115-W169 VanDerWaalsContact OE1-N 3.11Å; V120-W169 HydrophobicContact CB-CE3 4.43Å; V120-W169 HydrophobicContact CB-CH2 4.42Å; V120-W169 HydrophobicContact CB-CZ3 4.12Å; V120-W169 HydrophobicContact CG1-CE3 4.26Å; V120-W169 HydrophobicContact CG1-CZ3 4.12Å; V120-W169 HydrophobicContact CG2-CD2 3.9Å; V120-W169 HydrophobicContact CG2-CE3 3.73Å; V120-W169 HydrophobicContact CG2-CH2 3.94Å; V120-W169 HydrophobicContact CG2-CZ2 4.13Å; V120-W169 HydrophobicContact CG2-CZ3 3.75Å; N145-W169 HydrophobicContact CB-CD2 3.72Å; N145-W169 HydrophobicContact CB-CE3 4.11Å; N145-W169 HydrophobicContact CB-CG 4.34Å; N145-W169 HydrophobicContact CB-CH2 3.82Å; N145-W169 HydrophobicContact CB-CZ2 3.36Å; N145-W169 HydrophobicContact CB-CZ3 4.17Å; I147-W169 HydrophobicContact CG2-CH2 3.54Å; I147-W169 HydrophobicContact CG2-CZ2 4.21Å; K162-W169 HydrophobicContact CB-CZ2 4.27Å; K162-W169 HydrophobicContact CD-CZ2 4.38Å; K162-W169 HydrophobicContact CG-CZ2 3.72Å; W169-L172 HydrophobicContact CZ3-CD1 4.35Å
170E91.5Very high83.9Confident107 Ų10750.9 Ų50.950%0.526%0.262SS..SBendtrans-72.3-32.4169.7-67.9179.6-16900111.1P178 I179 T181E170-P178 HydrophobicContact CB-CB 4.1Å; E170-P178 CarbonylContact O-C 3.5Å; E170-P178 VanDerWaalsContact O-CA 3.24Å; E170-P178 WeakPolarHBondContact O-CA 3.4Å; E170-I179 PolarHBondContact O-N 2.91Å; E170-T181 HydrophobicContact CB-CG2 4.45Å; E170-T181 HydrophobicContact CG-CG2 3.63Å
171R89.5Confident84.4Confident78 Ų7852.7 Ų52.729%0.29427%0.273SS..  trans-136.8152.6-179.4-60.8178.9-165.2-135.7-4.1111.3D144 T174 D176 P178D144-R171 HydrophobicContact CB-CB 4.14Å; R171-T174 PolarHBondContact NH1-O 2.84Å; R171-D176 HydrophobicContact CB-CB 4.48Å; R171-D176 WeakPolarHBondContact CD-O 3.42Å; R171-D176 PolarHBondContact NH1-O 3.15Å; R171-P178 HydrophobicContact CG-CB 4.02Å
172L84.8Confident84.4Confident0 Ų058.3 Ų58.30%030%0.296CS..SBendtrans-84.6-59.7167.5173.483.6000109.7Y111 W113 V120 V122 L128 I139 L143 D144 W169 D176Y111-L172 HydrophobicContact CE2-CD2 3.96Å; W113-L172 HydrophobicContact CD2-CB 4.25Å; W113-L172 HydrophobicContact CZ2-CB 4.3Å; V120-L172 HydrophobicContact CG1-CD1 3.8Å; V122-L172 HydrophobicContact CB-CD1 3.88Å; V122-L172 HydrophobicContact CB-CD2 3.96Å; V122-L172 HydrophobicContact CG1-CD2 3.92Å; V122-L172 HydrophobicContact CG2-CD1 3.49Å; V122-L172 VanDerWaalsContact CG2-CD1 3.49Å; V122-L172 HydrophobicContact CG2-CD2 3.56Å; V122-L172 HydrophobicContact CG2-CG 4.13Å; L128-L172 HydrophobicContact CD2-CD1 4.26Å; L128-L172 HydrophobicContact CD2-CD2 3.49Å; L128-L172 VanDerWaalsContact CD2-CD2 3.49Å; L128-L172 HydrophobicContact CD2-CG 3.79Å; I139-L172 HydrophobicContact CD1-CD2 4.36Å; L143-L172 HydrophobicContact CD2-CD1 4.24Å; L143-L172 HydrophobicContact CD2-CG 4.35Å; L143-L172 WeakPolarHBondContact CD2-O 3.18Å; D144-L172 PolarHBondContact N-O 3.03Å; W169-L172 HydrophobicContact CZ3-CD1 4.35Å; L172-D176 WeakPolarHBondContact CB-OD2 3.41Å
173V85.8Confident84.4Confident0 Ų061.3 Ų61.30%031%0.309CS..BIsolated β-bridgetrans-111.8152.8171.1-64.80000111.3L128 I139 G141 E142 L143 T175 D176L128-V173 HydrophobicContact CB-CG1 3.52Å; L128-V173 HydrophobicContact CD2-CG1 3.54Å; L128-V173 HydrophobicContact CG-CG1 4.14Å; I139-V173 HydrophobicContact CG2-CG1 4.3Å; I139-V173 HydrophobicContact CG2-CG2 4.14Å; G141-V173 WeakPolarHBondContact O-CG1 3.43Å; E142-V173 CarbonylContact O-C 3.59Å; E142-V173 WeakPolarHBondContact O-CA 3.36Å; E142-V173 VanDerWaalsContact O-CB 3.24Å; E142-V173 WeakPolarHBondContact O-CB 3.37Å; L143-V173 HydrophobicContact CD2-CG1 4.33Å; V173-T175 VanDerWaalsContact CG2-OG1 3.25Å; V173-T175 WeakPolarHBondContact CG2-OG1 3.31Å; V173-T175 PolarHBondContact O-N 3.4Å; V173-T175 VanDerWaalsContact O-N 3.08Å; V173-D176 WeakPolarHBondContact CG2-OD1 3.47Å; V173-D176 WeakPolarHBondContact CG2-OD2 3.29Å; V173-D176 PolarHBondContact N-OD2 2.88Å; V173-D176 WeakPolarHBondContact O-CB 3.45Å; V173-D176 PolarHBondContact O-N 3.28Å
174T84.9Confident84.7Confident59 Ų5957.6 Ų57.636%0.36229%0.287SS..THydrogen-bonded Turntrans-56.8-29.3-174.7530000113.4E142 D144 R171 D176E142-T174 PolarHBondContact O-N 2.83Å; E142-T174 PolarHBondContact O-OG1 3.26Å; D144-T174 HydrophobicContact CB-CG2 4.35Å; R171-T174 PolarHBondContact NH1-O 2.84Å; T174-D176 VanDerWaalsContact C-N 3.32Å; T174-D176 PolarHBondContact O-N 2.83Å
175T83.7Confident84.3Confident102 Ų10258.2 Ų58.263%0.62630%0.296SS*.THydrogen-bonded Turntrans-72.1-16.6177.3500000114.8V173V173-T175 VanDerWaalsContact CG2-OG1 3.25Å; V173-T175 WeakPolarHBondContact CG2-OG1 3.31Å; V173-T175 PolarHBondContact O-N 3.4Å; V173-T175 VanDerWaalsContact O-N 3.08Å
176D85.7Confident84.3Confident16 Ų1656.7 Ų56.79%0.08629%0.294CS..SBendtrans-74.6156.4-173.9-63.8-24.5000112.7F108 Y111 R171 L172 V173 T174F108-D176 HydrophobicContact CZ-CB 4.05Å; Y111-D176 PolarHBondContact OH-OD1 3.12Å; Y111-D176 PolarHBondContact OH-OD2 3.37Å; Y111-D176 VanDerWaalsContact OH-OD2 3.07Å; R171-D176 HydrophobicContact CB-CB 4.48Å; R171-D176 WeakPolarHBondContact CD-O 3.42Å; R171-D176 PolarHBondContact NH1-O 3.15Å; L172-D176 WeakPolarHBondContact CB-OD2 3.41Å; V173-D176 WeakPolarHBondContact CG2-OD1 3.47Å; V173-D176 WeakPolarHBondContact CG2-OD2 3.29Å; V173-D176 PolarHBondContact N-OD2 2.88Å; V173-D176 WeakPolarHBondContact O-CB 3.45Å; V173-D176 PolarHBondContact O-N 3.28Å; T174-D176 VanDerWaalsContact C-N 3.32Å; T174-D176 PolarHBondContact O-N 2.83Å
177T87.4Confident83.8Confident64 Ų6456.8 Ų56.839%0.39329%0.293SS..PPolyproline II helixtrans-70.9131.3165-54.30000109.1G96 L98G96-T177 WeakPolarHBondContact O-CG2 3.45Å; L98-T177 HydrophobicContact CD1-CG2 4.25Å; L98-T177 HydrophobicContact CG-CG2 3.91Å
178P90.5Very high83Confident20 Ų2057.4 Ų57.413%0.1330%0.296CS..PPolyproline II helixtrans-70.8147.7-177.428.8-32.9000112C97 L98 E170 R171C97-P178 CarbonylContact C-O 3.41Å; C97-P178 WeakPolarHBondContact CA-O 3.33Å; C97-P178 WeakPolarHBondContact CB-O 3.35Å; L98-P178 PolarHBondContact N-O 3.47Å; E170-P178 HydrophobicContact CB-CB 4.1Å; E170-P178 CarbonylContact O-C 3.5Å; E170-P178 VanDerWaalsContact O-CA 3.24Å; E170-P178 WeakPolarHBondContact O-CA 3.4Å; R171-P178 HydrophobicContact CG-CB 4.02Å
179I89.2Confident81.8Confident2 Ų258.3 Ų58.31%0.0131%0.311CS..BIsolated β-bridgetrans-87.6150.6167.268.4174000110.9L98 P100 N104 A106 W113 E170 T181 V184L98-I179 HydrophobicContact CB-CG2 4.35Å; L98-I179 WeakPolarHBondContact O-CA 3.28Å; P100-I179 HydrophobicContact CB-CD1 4.45Å; P100-I179 HydrophobicContact CG-CB 4.37Å; P100-I179 HydrophobicContact CG-CD1 4.3Å; N104-I179 WeakPolarHBondContact O-CD1 3.16Å; A106-I179 HydrophobicContact CB-CG2 3.74Å; W113-I179 HydrophobicContact CH2-CD1 4.2Å; W113-I179 HydrophobicContact CZ2-CD1 4.48Å; E170-I179 PolarHBondContact O-N 2.91Å; I179-T181 HydrophobicContact CG1-CG2 4.41Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.16Å; I179-V184 HydrophobicContact CD1-CG2 4.33Å
180D86.7Confident80.4Confident8 Ų864.4 Ų64.44%0.04334%0.338CS..  trans-78.298.7171.6-164.6-27.1000110.5L93 S94 C97 L98 K182 K183L93-D180 HydrophobicContact CD2-CB 4.44Å; S94-D180 VanDerWaalsContact CB-OD2 3.23Å; S94-D180 WeakPolarHBondContact CB-OD2 3.18Å; S94-D180 PolarHBondContact N-OD2 2.72Å; S94-D180 PolarHBondContact OG-OD2 3.44Å; C97-D180 HydrophobicContact CB-CB 4.09Å; L98-D180 PolarHBondContact O-N 3.44Å; L98-D180 VanDerWaalsContact O-N 3.16Å; D180-K182 PolarHBondContact O-N 2.92Å; D180-K182 VanDerWaalsContact O-N 3.12Å; D180-K182 VanDerWaalsContact OD1-CB 3.27Å; D180-K182 WeakPolarHBondContact OD1-CB 3.32Å; D180-K182 PolarHBondContact OD1-N 2.96Å; D180-K183 HydrophobicContact CB-CG 4.07Å; D180-K183 PolarHBondContact O-N 3.36Å
181T86Confident79.3Confident37 Ų3761.9 Ų61.923%0.22733%0.328CS..G310 helixtrans-62.8-15.2-179.851.20000113.8W168 E170 I179 K183 V184W168-T181 HydrophobicContact CB-CG2 3.79Å; E170-T181 HydrophobicContact CB-CG2 4.45Å; E170-T181 HydrophobicContact CG-CG2 3.63Å; I179-T181 HydrophobicContact CG1-CG2 4.41Å; I179-T181 PolarHBondContact O-N 3.43Å; I179-T181 VanDerWaalsContact O-N 3.16Å; T181-K183 PolarHBondContact O-N 2.83Å; T181-V184 WeakPolarHBondContact O-CB 3.33Å; T181-V184 PolarHBondContact O-N 2.97Å
182K79.7Confident78.5Confident172 Ų17262.2 Ų62.275%0.74834%0.342SS*.G310 helixtrans-74.4-15.3173.2-56.3169.8-175163.50112.9D180D180-K182 PolarHBondContact O-N 2.92Å; D180-K182 VanDerWaalsContact O-N 3.12Å; D180-K182 VanDerWaalsContact OD1-CB 3.27Å; D180-K182 WeakPolarHBondContact OD1-CB 3.32Å; D180-K182 PolarHBondContact OD1-N 2.96Å
183K80.7Confident78.1Confident63 Ų6367 Ų6727%0.27437%0.367SS..G310 helixtrans-99.37177.9-51.8-62.9-175.11760112.7E90 E92 L93 P100 D180 T181E90-K183 PolarHBondContact O-NZ 2.81Å; E92-K183 WeakPolarHBondContact O-CE 3.43Å; E92-K183 PolarHBondContact O-NZ 3.25Å; L93-K183 HydrophobicContact CD2-CG 4.41Å; P100-K183 HydrophobicContact CG-CB 4.36Å; D180-K183 HydrophobicContact CB-CG 4.07Å; D180-K183 PolarHBondContact O-N 3.36Å; T181-K183 PolarHBondContact O-N 2.83Å
184V82.9Confident77.7Confident15 Ų1568.9 Ų68.99%0.09138%0.377CS..  trans-81.8128.6179.3164.40000110.9P100 N104 W168 I179 T181P100-V184 HydrophobicContact CB-CG2 4.24Å; P100-V184 HydrophobicContact CG-CG2 3.8Å; N104-V184 HydrophobicContact CB-CG1 3.83Å; N104-V184 HydrophobicContact CB-CG2 4.32Å; W168-V184 HydrophobicContact CD2-CB 4.48Å; W168-V184 HydrophobicContact CD2-CG1 3.46Å; W168-V184 VanDerWaalsContact CD2-CG1 3.46Å; W168-V184 HydrophobicContact CE3-CG1 3.8Å; W168-V184 HydrophobicContact CG-CG1 3.94Å; W168-V184 HydrophobicContact CH2-CG1 3.88Å; W168-V184 HydrophobicContact CZ2-CG1 3.56Å; W168-V184 HydrophobicContact CZ3-CG1 3.99Å; I179-V184 HydrophobicContact CD1-CG2 4.33Å; T181-V184 WeakPolarHBondContact O-CB 3.33Å; T181-V184 PolarHBondContact O-N 2.97Å
185C71Confident77.5Confident80 Ų8070.4 Ų70.454%0.54138%0.383SS..  trans-108110.9-178.8-71.30000110.6N104N104-C185 PolarHBondContact ND2-O 2.94Å; N104-C185 PolarHBondContact OD1-N 3.48Å; N104-C185 PolarHBondContact OD1-O 2.71Å
186P74.6Confident77.4Confident53 Ų5368 Ų6834%0.34438%0.379SS..  trans-66.3155.5-17927-34.5000112.8W168 N188 S189W168-P186 HydrophobicContact CZ2-CB 4.17Å; P186-N188 PolarHBondContact O-N 3.24Å; P186-N188 VanDerWaalsContact O-N 3.12Å; P186-S189 WeakPolarHBondContact O-CB 3.46Å; P186-S189 PolarHBondContact O-N 3.04Å; P186-S189 PolarHBondContact O-OG 2.94Å
187E67.4Low77.3Confident161 Ų16173.2 Ų73.275%0.75240%0.403SS*.THydrogen-bonded Turntrans-57.9-32.1-178.2-65.4-174.8125.400113.9S189E187-S189 PolarHBondContact O-N 2.89Å; E187-S189 VanDerWaalsContact O-N 3.08Å
188N64.6Low76.9Confident105 Ų10573 Ų7356%0.56140%0.402SS*.THydrogen-bonded Turntrans-71.710.9174.7-71.871.4000114.2P186 K190P186-N188 PolarHBondContact O-N 3.24Å; P186-N188 VanDerWaalsContact O-N 3.12Å; N188-K190 PolarHBondContact O-N 3.06Å
189S60.8Low76.5Confident76 Ų7676.9 Ų76.953%0.53141%0.414SS..  trans-60.6-0.3-178.1-85.60000116.1P186 E187P186-S189 WeakPolarHBondContact O-CB 3.46Å; P186-S189 PolarHBondContact O-N 3.04Å; P186-S189 PolarHBondContact O-OG 2.94Å; E187-S189 PolarHBondContact O-N 2.89Å; E187-S189 VanDerWaalsContact O-N 3.08Å
190K61Low76.1Confident135 Ų13579.3 Ų79.359%0.58743%0.434SS*.  trans-93.7114.6170.1-64.2178.9-173.7167.60110.1N188 S192 D193N188-K190 PolarHBondContact O-N 3.06Å; K190-S192 WeakPolarHBondContact CB-OG 3.42Å; K190-S192 PolarHBondContact O-N 3.26Å; K190-D193 HydrophobicContact CB-CB 4.49Å; K190-D193 PolarHBondContact O-N 2.86Å
191L67.7Low75.8Confident54 Ų5482.6 Ų82.628%0.28345%0.45SS..G310 helixtrans-51.7-27.7171.9-69172.7000112.9D193 L194 R199 V202 E203 M206L191-D193 PolarHBondContact O-N 3.07Å; L191-L194 HydrophobicContact CD2-CD1 4.18Å; L191-L194 PolarHBondContact O-N 3.07Å; L191-R199 HydrophobicContact CB-CG 3.94Å; L191-R199 HydrophobicContact CD2-CG 4.19Å; L191-R199 WeakPolarHBondContact O-CD 3.44Å; L191-R199 VanDerWaalsContact O-CG 3.23Å; L191-R199 WeakPolarHBondContact O-CG 3.34Å; L191-V202 HydrophobicContact CD2-CB 4.09Å; L191-V202 HydrophobicContact CD2-CG1 3.69Å; L191-E203 HydrophobicContact CD1-CG 3.87Å; L191-E203 HydrophobicContact CD2-CG 4.24Å; L191-M206 HydrophobicContact CD1-SD 4.29Å; L191-M206 HydrophobicContact CD2-SD 4.44Å
192S72.1Confident75.5Confident85 Ų8583.3 Ų83.359%0.59445%0.454SS*.G310 helixtrans-61.9-26.5175.553.80000114.8K190K190-S192 WeakPolarHBondContact CB-OG 3.42Å; K190-S192 PolarHBondContact O-N 3.26Å
193D76.8Confident75.6Confident99 Ų9978.7 Ų78.753%0.52944%0.435SS..G310 helixtrans-96.9-4.5-169.6-54-3.9000111K190 L191K190-D193 HydrophobicContact CB-CB 4.49Å; K190-D193 PolarHBondContact O-N 2.86Å; L191-D193 PolarHBondContact O-N 3.07Å
194L77Confident75.7Confident40 Ų4078.1 Ų78.121%0.20943%0.433CS..SBendtrans-86.2147.5170.4-57.3178000110.1L191 T198 R199 V202L191-L194 HydrophobicContact CD2-CD1 4.18Å; L191-L194 PolarHBondContact O-N 3.07Å; L194-T198 HydrophobicContact CB-CG2 4.47Å; L194-T198 HydrophobicContact CD1-CG2 4.27Å; L194-T198 HydrophobicContact CD2-CG2 4.32Å; L194-R199 HydrophobicContact CB-CB 4.06Å; L194-V202 HydrophobicContact CD1-CB 4.42Å; L194-V202 HydrophobicContact CD1-CG2 4.12Å
195D82.1Confident75.6Confident91 Ų9182.7 Ų82.749%0.48746%0.455SS..  trans-62.4158.7169.168.4-88.3000111.1E197 T198 R199D195-E197 PolarHBondContact O-N 2.64Å; D195-E197 VanDerWaalsContact O-N 3.15Å; D195-E197 WeakPolarHBondContact OD2-CB 3.37Å; D195-E197 PolarHBondContact OD2-N 3.49Å; D195-E197 VanDerWaalsContact OD2-N 3.07Å; D195-T198 VanDerWaalsContact CG-OG1 3.3Å; D195-T198 PolarHBondContact O-N 3.18Å; D195-T198 WeakPolarHBondContact OD1-CB 3.29Å; D195-T198 PolarHBondContact OD1-OG1 2.7Å; D195-T198 PolarHBondContact OD2-N 3.14Å; D195-T198 PolarHBondContact OD2-OG1 2.99Å; D195-R199 VanDerWaalsContact O-CB 3.25Å; D195-R199 WeakPolarHBondContact O-CB 3.09Å; D195-R199 PolarHBondContact O-N 2.72Å
196G81.8Confident76Confident52 Ų5283.9 Ų83.954%0.53645%0.453SS..Hα-helixtrans-61.5-26.3-172.200000115.2A200G196-A200 WeakPolarHBondContact O-CB 3.35Å; G196-A200 PolarHBondContact O-N 2.9Å
197E82.4Confident76.3Confident125 Ų12584.7 Ų84.758%0.58446%0.457SS*.Hα-helixtrans-79.1-50.9178.1-173.4177.7164.700110.2D195 R199 A200 M201D195-E197 PolarHBondContact O-N 2.64Å; D195-E197 VanDerWaalsContact O-N 3.15Å; D195-E197 WeakPolarHBondContact OD2-CB 3.37Å; D195-E197 PolarHBondContact OD2-N 3.49Å; D195-E197 VanDerWaalsContact OD2-N 3.07Å; E197-R199 VanDerWaalsContact C-N 3.3Å; E197-R199 PolarHBondContact O-N 3.08Å; E197-A200 PolarHBondContact O-N 2.85Å; E197-M201 PolarHBondContact O-N 2.92Å
198T78.9Confident77.1Confident61 Ų6177.9 Ų77.937%0.37443%0.426SS..Hα-helixtrans-59.8-42.3175.5-55.70000111L194 D195 M201 V202L194-T198 HydrophobicContact CB-CG2 4.47Å; L194-T198 HydrophobicContact CD1-CG2 4.27Å; L194-T198 HydrophobicContact CD2-CG2 4.32Å; D195-T198 VanDerWaalsContact CG-OG1 3.3Å; D195-T198 PolarHBondContact O-N 3.18Å; D195-T198 WeakPolarHBondContact OD1-CB 3.29Å; D195-T198 PolarHBondContact OD1-OG1 2.7Å; D195-T198 PolarHBondContact OD2-N 3.14Å; D195-T198 PolarHBondContact OD2-OG1 2.99Å; T198-M201 PolarHBondContact O-N 2.73Å; T198-V202 HydrophobicContact CG2-CG2 4.4Å; T198-V202 WeakPolarHBondContact O-CG2 3.28Å; T198-V202 PolarHBondContact O-N 2.65Å
199R83.1Confident77.7Confident100 Ų10077.9 Ų77.938%0.37742%0.423SS..Hα-helixtrans-60.1-48.3177.4-165.6-176.781.8-149.5-1.1111.8L191 L194 D195 E197 M201 V202 E203L191-R199 HydrophobicContact CB-CG 3.94Å; L191-R199 HydrophobicContact CD2-CG 4.19Å; L191-R199 WeakPolarHBondContact O-CD 3.44Å; L191-R199 VanDerWaalsContact O-CG 3.23Å; L191-R199 WeakPolarHBondContact O-CG 3.34Å; L194-R199 HydrophobicContact CB-CB 4.06Å; D195-R199 VanDerWaalsContact O-CB 3.25Å; D195-R199 WeakPolarHBondContact O-CB 3.09Å; D195-R199 PolarHBondContact O-N 2.72Å; E197-R199 VanDerWaalsContact C-N 3.3Å; E197-R199 PolarHBondContact O-N 3.08Å; R199-M201 VanDerWaalsContact C-N 3.28Å; R199-M201 PolarHBondContact O-N 3.06Å; R199-V202 PolarHBondContact O-N 3.27Å; R199-E203 WeakPolarHBondContact CD-OE1 3.33Å; R199-E203 HydrophobicContact CG-CG 4.29Å; R199-E203 VanDerWaalsContact CG-OE1 3.31Å; R199-E203 WeakPolarHBondContact CG-OE1 3Å; R199-E203 IonicContact NE-OE1 2.64Å; R199-E203 PolarHBondContact NE-OE1 2.63Å; R199-E203 WeakPolarHBondContact O-CB 3.45Å; R199-E203 WeakPolarHBondContact O-CG 3Å; R199-E203 PolarHBondContact O-N 2.61Å
200A80.7Confident78.6Confident53 Ų5382.5 Ų82.544%0.43843%0.428SS..Hα-helixtrans-62.6-35.2178.200000112.3G196 E197 K204G196-A200 WeakPolarHBondContact O-CB 3.35Å; G196-A200 PolarHBondContact O-N 2.9Å; E197-A200 PolarHBondContact O-N 2.85Å; A200-K204 VanDerWaalsContact O-CB 3.3Å; A200-K204 WeakPolarHBondContact O-CB 3.25Å; A200-K204 PolarHBondContact O-N 2.65Å
201M81.2Confident79.7Confident78 Ų7878.4 Ų78.438%0.38441%0.409SS..Hα-helixtrans-68.2-43.8175.1-169.467.6-164.900112.3E197 T198 R199 K204 M205E197-M201 PolarHBondContact O-N 2.92Å; T198-M201 PolarHBondContact O-N 2.73Å; R199-M201 VanDerWaalsContact C-N 3.28Å; R199-M201 PolarHBondContact O-N 3.06Å; M201-K204 PolarHBondContact O-N 3.35Å; M201-M205 HydrophobicContact CE-CE 3.59Å; M201-M205 HydrophobicContact CE-CG 4.48Å; M201-M205 WeakPolarHBondContact O-CG 3.47Å; M201-M205 PolarHBondContact O-N 3.37Å
202V78.4Confident80.4Confident51 Ų5184 Ų8431%0.30943%0.427SS..Hα-helixtrans-68.2-44.4177.2177.20000111.1L191 L194 T198 R199 K204 M205 M206L191-V202 HydrophobicContact CD2-CB 4.09Å; L191-V202 HydrophobicContact CD2-CG1 3.69Å; L194-V202 HydrophobicContact CD1-CB 4.42Å; L194-V202 HydrophobicContact CD1-CG2 4.12Å; T198-V202 HydrophobicContact CG2-CG2 4.4Å; T198-V202 WeakPolarHBondContact O-CG2 3.28Å; T198-V202 PolarHBondContact O-N 2.65Å; R199-V202 PolarHBondContact O-N 3.27Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.9Å; V202-M205 PolarHBondContact O-N 2.99Å; V202-M205 VanDerWaalsContact O-N 3.13Å; V202-M206 HydrophobicContact CG1-CG 4.39Å; V202-M206 HydrophobicContact CG1-SD 4.17Å; V202-M206 WeakPolarHBondContact O-CG 3.23Å; V202-M206 PolarHBondContact O-N 3.49Å
203E82.3Confident80.6Confident76 Ų7685.2 Ų85.236%0.35542%0.423SS..Hα-helixtrans-56.3-44.9173.9-77.1171.9-17400111.3L191 R199 M206 V207L191-E203 HydrophobicContact CD1-CG 3.87Å; L191-E203 HydrophobicContact CD2-CG 4.24Å; R199-E203 WeakPolarHBondContact CD-OE1 3.33Å; R199-E203 HydrophobicContact CG-CG 4.29Å; R199-E203 VanDerWaalsContact CG-OE1 3.31Å; R199-E203 WeakPolarHBondContact CG-OE1 3Å; R199-E203 IonicContact NE-OE1 2.64Å; R199-E203 PolarHBondContact NE-OE1 2.63Å; R199-E203 WeakPolarHBondContact O-CB 3.45Å; R199-E203 WeakPolarHBondContact O-CG 3Å; R199-E203 PolarHBondContact O-N 2.61Å; E203-M206 PolarHBondContact O-N 3.19Å; E203-V207 WeakPolarHBondContact O-CG2 3.19Å; E203-V207 PolarHBondContact O-N 3.43Å
204K83.5Confident80.9Confident51 Ų5186.2 Ų86.222%0.22243%0.426CS..Hα-helixtrans-59.3-48.2173.7-178.8-166166.6-158.10111.5A200 M201 V202 M206 V207 D208 E220A200-K204 VanDerWaalsContact O-CB 3.3Å; A200-K204 WeakPolarHBondContact O-CB 3.25Å; A200-K204 PolarHBondContact O-N 2.65Å; M201-K204 PolarHBondContact O-N 3.35Å; V202-K204 VanDerWaalsContact C-N 3.31Å; V202-K204 PolarHBondContact O-N 2.9Å; K204-M206 VanDerWaalsContact C-N 3.33Å; K204-M206 PolarHBondContact O-N 3.48Å; K204-V207 PolarHBondContact O-N 3.38Å; K204-D208 WeakPolarHBondContact CE-OD2 3.44Å; K204-D208 WeakPolarHBondContact O-CB 3.39Å; K204-D208 VanDerWaalsContact O-CG 3.3Å; K204-D208 PolarHBondContact O-N 3.02Å; K204-E220 IonicContact NZ-OE1 2.81Å; K204-E220 PolarHBondContact NZ-OE1 3Å
205M79.8Confident81.1Confident111 Ų11187.6 Ų87.655%0.54745%0.45SS..Hα-helixtrans-60.3-40.8178.4-74.9-172.1173.500112.5M201 V202 D208 Q209M201-M205 HydrophobicContact CE-CE 3.59Å; M201-M205 HydrophobicContact CE-CG 4.48Å; M201-M205 WeakPolarHBondContact O-CG 3.47Å; M201-M205 PolarHBondContact O-N 3.37Å; V202-M205 PolarHBondContact O-N 2.99Å; V202-M205 VanDerWaalsContact O-N 3.13Å; M205-D208 PolarHBondContact O-N 3.23Å; M205-Q209 WeakPolarHBondContact O-CB 3.37Å; M205-Q209 PolarHBondContact O-N 2.72Å
206M80.7Confident81.2Confident104 Ų10487.4 Ų87.451%0.51245%0.448SS..Hα-helixtrans-65.4-40.8176.6-67.7178.17800112.1L191 V202 E203 K204 R210L191-M206 HydrophobicContact CD1-SD 4.29Å; L191-M206 HydrophobicContact CD2-SD 4.44Å; V202-M206 HydrophobicContact CG1-CG 4.39Å; V202-M206 HydrophobicContact CG1-SD 4.17Å; V202-M206 WeakPolarHBondContact O-CG 3.23Å; V202-M206 PolarHBondContact O-N 3.49Å; E203-M206 PolarHBondContact O-N 3.19Å; K204-M206 VanDerWaalsContact C-N 3.33Å; K204-M206 PolarHBondContact O-N 3.48Å; M206-R210 PolarHBondContact O-N 3.47Å; M206-R210 VanDerWaalsContact O-N 3.12Å
207V79.6Confident81.2Confident71 Ų7187.1 Ų87.143%0.4344%0.437SS..Hα-helixtrans-66.1-42.9175169.60000111E203 K204 R210 R211E203-V207 WeakPolarHBondContact O-CG2 3.19Å; E203-V207 PolarHBondContact O-N 3.43Å; K204-V207 PolarHBondContact O-N 3.38Å; V207-R210 PolarHBondContact O-N 2.79Å; V207-R211 HydrophobicContact CG1-CG 4.39Å; V207-R211 WeakPolarHBondContact O-CB 3.21Å; V207-R211 WeakPolarHBondContact O-CD 3.45Å; V207-R211 WeakPolarHBondContact O-CG 3.39Å; V207-R211 PolarHBondContact O-N 2.85Å
208D85.3Confident81.4Confident17 Ų1781.9 Ų81.99%0.09141%0.413CS..Hα-helixtrans-66.5-36.3178.3-73.4-19.5000112.4K204 M205 R212 T218 T219K204-D208 WeakPolarHBondContact CE-OD2 3.44Å; K204-D208 WeakPolarHBondContact O-CB 3.39Å; K204-D208 VanDerWaalsContact O-CG 3.3Å; K204-D208 PolarHBondContact O-N 3.02Å; M205-D208 PolarHBondContact O-N 3.23Å; D208-R212 WeakPolarHBondContact O-CB 3.26Å; D208-R212 PolarHBondContact O-N 3.2Å; D208-T218 HydrophobicContact CB-CG2 4.32Å; D208-T219 WeakPolarHBondContact OD1-CB 3.49Å; D208-T219 PolarHBondContact OD1-N 2.89Å; D208-T219 PolarHBondContact OD1-OG1 3.3Å
209Q77Confident81.6Confident106 Ų10680.4 Ų80.450%0.49540%0.404SS..Hα-helixtrans-62.3-54.4172.7177.8175.2-4.600111.1M205 R211 R212 E213M205-Q209 WeakPolarHBondContact O-CB 3.37Å; M205-Q209 PolarHBondContact O-N 2.72Å; Q209-R211 VanDerWaalsContact C-N 3.27Å; Q209-R211 PolarHBondContact O-N 2.98Å; Q209-R212 WeakPolarHBondContact O-CB 3.31Å; Q209-R212 PolarHBondContact O-N 2.61Å; Q209-R212 VanDerWaalsContact O-N 3.08Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.29Å; Q209-E213 PolarHBondContact NE2-OE1 3.02Å; Q209-E213 WeakPolarHBondContact O-CG 3.1Å; Q209-E213 PolarHBondContact O-N 2.86Å
210R79.9Confident81.6Confident172 Ų17280.3 Ų80.365%0.64941%0.408SS*.Hα-helixtrans-62.1-34.3179.8-170.8-177.7-73.4159.1-3112.6M206 V207 E213 M214M206-R210 PolarHBondContact O-N 3.47Å; M206-R210 VanDerWaalsContact O-N 3.12Å; V207-R210 PolarHBondContact O-N 2.79Å; R210-E213 WeakPolarHBondContact CA-OE2 2.86Å; R210-M214 HydrophobicContact CG-CE 4.1Å; R210-M214 WeakPolarHBondContact O-CG 3.14Å; R210-M214 PolarHBondContact O-N 3.31Å; R210-M214 VanDerWaalsContact O-N 3.16Å
211R83.6Confident81.8Confident50 Ų5080.1 Ų80.119%0.18940%0.4CS..Hα-helixtrans-63.5-48.2172-78.3167.1166.3-140.40.2111.6V207 Q209 E213 M214 G215 L216 P217 E222V207-R211 HydrophobicContact CG1-CG 4.39Å; V207-R211 WeakPolarHBondContact O-CB 3.21Å; V207-R211 WeakPolarHBondContact O-CD 3.45Å; V207-R211 WeakPolarHBondContact O-CG 3.39Å; V207-R211 PolarHBondContact O-N 2.85Å; Q209-R211 VanDerWaalsContact C-N 3.27Å; Q209-R211 PolarHBondContact O-N 2.98Å; R211-E213 VanDerWaalsContact C-N 3.31Å; R211-E213 PolarHBondContact O-N 3.11Å; R211-M214 CarbonylContact O-C 3.46Å; R211-M214 WeakPolarHBondContact O-CA 3.3Å; R211-M214 PolarHBondContact O-N 2.94Å; R211-M214 VanDerWaalsContact O-N 3.07Å; R211-G215 PolarHBondContact O-N 3.29Å; R211-G215 VanDerWaalsContact O-N 3.08Å; R211-L216 CarbonylContact C-O 3.57Å; R211-L216 HydrophobicContact CB-CB 4.05Å; R211-L216 HydrophobicContact CG-CB 4.3Å; R211-L216 PolarHBondContact O-N 3.42Å; R211-P217 PolarHBondContact NH1-O 2.95Å; R211-E222 IonicContact CZ-OE1 2.71Å; R211-E222 IonicContact CZ-OE2 3.01Å; R211-E222 IonicContact NH1-OE1 2.71Å; R211-E222 PolarHBondContact NH1-OE1 2.96Å; R211-E222 IonicContact NH1-OE2 3.77Å; R211-E222 PolarHBondContact NH1-OE2 3Å; R211-E222 IonicContact NH2-OE1 3.18Å; R211-E222 PolarHBondContact NH2-OE1 3.36Å; R211-E222 IonicContact NH2-OE2 3.3Å; R211-E222 PolarHBondContact NH2-OE2 3.14Å
212R82.8Confident81.8Confident171 Ų17179.9 Ų79.965%0.64540%0.398SS*.Hα-helixtrans-59.4-40.6177.9-175.9-179.6-65.5134.52.3112.2D208 Q209 M214 G215D208-R212 WeakPolarHBondContact O-CB 3.26Å; D208-R212 PolarHBondContact O-N 3.2Å; Q209-R212 WeakPolarHBondContact O-CB 3.31Å; Q209-R212 PolarHBondContact O-N 2.61Å; Q209-R212 VanDerWaalsContact O-N 3.08Å; R212-M214 VanDerWaalsContact C-N 3.32Å; R212-M214 PolarHBondContact O-N 3.28Å; R212-G215 PolarHBondContact O-N 3.48Å
213E76.6Confident82.1Confident111 Ų11183.7 Ų83.752%0.51941%0.41SS..Hα-helixtrans-63.3-36.1174.9-72157-176.700112.3Q209 R210 R211 G215Q209-E213 WeakPolarHBondContact CG-OE1 3.29Å; Q209-E213 PolarHBondContact NE2-OE1 3.02Å; Q209-E213 WeakPolarHBondContact O-CG 3.1Å; Q209-E213 PolarHBondContact O-N 2.86Å; R210-E213 WeakPolarHBondContact CA-OE2 2.86Å; R211-E213 VanDerWaalsContact C-N 3.31Å; R211-E213 PolarHBondContact O-N 3.11Å; E213-G215 VanDerWaalsContact C-N 3.26Å; E213-G215 PolarHBondContact O-N 2.97Å
214M81.7Confident82.2Confident120 Ų12086 Ų8659%0.59142%0.419SS*.THydrogen-bonded Turntrans-79.31.2171-67.4-169.6-75.300114.3R210 R211 R212 L216R210-M214 HydrophobicContact CG-CE 4.1Å; R210-M214 WeakPolarHBondContact O-CG 3.14Å; R210-M214 PolarHBondContact O-N 3.31Å; R210-M214 VanDerWaalsContact O-N 3.16Å; R211-M214 CarbonylContact O-C 3.46Å; R211-M214 WeakPolarHBondContact O-CA 3.3Å; R211-M214 PolarHBondContact O-N 2.94Å; R211-M214 VanDerWaalsContact O-N 3.07Å; R212-M214 VanDerWaalsContact C-N 3.32Å; R212-M214 PolarHBondContact O-N 3.28Å; M214-L216 HydrophobicContact CB-CD1 3.98Å; M214-L216 HydrophobicContact CB-CG 4.05Å; M214-L216 HydrophobicContact CE-CD1 3.75Å; M214-L216 PolarHBondContact O-N 2.77Å; M214-L216 HydrophobicContact SD-CD1 4.24Å
215G81.3Confident82.1Confident69 Ų6987.8 Ų87.871%0.71143%0.428SS*.THydrogen-bonded Turntrans6715.7-173.800000114.6R211 R212 E213R211-G215 PolarHBondContact O-N 3.29Å; R211-G215 VanDerWaalsContact O-N 3.08Å; R212-G215 PolarHBondContact O-N 3.48Å; E213-G215 VanDerWaalsContact C-N 3.26Å; E213-G215 PolarHBondContact O-N 2.97Å
216L84.7Confident82.5Confident87 Ų8787.9 Ų87.946%0.45543%0.427SS..PPolyproline II helixtrans-84.4148.5177.2-67.7170.6000111.1R211 M214R211-L216 CarbonylContact C-O 3.57Å; R211-L216 HydrophobicContact CB-CB 4.05Å; R211-L216 HydrophobicContact CG-CB 4.3Å; R211-L216 PolarHBondContact O-N 3.42Å; M214-L216 HydrophobicContact CB-CD1 3.98Å; M214-L216 HydrophobicContact CB-CG 4.05Å; M214-L216 HydrophobicContact CE-CD1 3.75Å; M214-L216 PolarHBondContact O-N 2.77Å; M214-L216 HydrophobicContact SD-CD1 4.24Å
217P82.5Confident82.7Confident45 Ų4588.8 Ų88.829%0.29243%0.434SS..PPolyproline II helixtrans-58.6143.8174.624.5-33.6000111.6R211 D221 E222R211-P217 PolarHBondContact NH1-O 2.95Å; P217-D221 HydrophobicContact CB-CB 3.85Å; P217-E222 HydrophobicContact CB-CG 4.28Å; P217-E222 HydrophobicContact CG-CG 3.97Å
218T86.2Confident82.8Confident15 Ų1587.8 Ų87.89%0.09243%0.425CS..PPolyproline II helixtrans-67.6167175.170.60000110.8D208 E220 D221 E222D208-T218 HydrophobicContact CB-CG2 4.32Å; T218-E220 PolarHBondContact O-N 3.4Å; T218-E220 VanDerWaalsContact O-N 3.16Å; T218-E220 PolarHBondContact OG1-N 3.15Å; T218-D221 WeakPolarHBondContact CB-OD2 3.3Å; T218-D221 WeakPolarHBondContact CG2-OD2 3.48Å; T218-D221 PolarHBondContact N-OD2 3.4Å; T218-D221 PolarHBondContact O-N 2.91Å; T218-D221 PolarHBondContact OG1-N 3.47Å; T218-D221 PolarHBondContact OG1-OD2 3.38Å; T218-E222 PolarHBondContact O-N 2.92Å
219T82.5Confident82.7Confident30 Ų3093.3 Ų93.318%0.18445%0.449CS..Hα-helixtrans-59-25.2175.1-49.20000111.8D208 K223D208-T219 WeakPolarHBondContact OD1-CB 3.49Å; D208-T219 PolarHBondContact OD1-N 2.89Å; D208-T219 PolarHBondContact OD1-OG1 3.3Å; T219-K223 WeakPolarHBondContact O-CD 3.32Å; T219-K223 VanDerWaalsContact O-CG 3.24Å; T219-K223 WeakPolarHBondContact O-CG 3.24Å; T219-K223 PolarHBondContact O-N 2.92Å
220E82.8Confident83.1Confident98 Ų9894.5 Ų94.546%0.45845%0.452SS..Hα-helixtrans-79.3-39.1172.8-65-171.3176.600112.2K204 T218 K223 K224K204-E220 IonicContact NZ-OE1 2.81Å; K204-E220 PolarHBondContact NZ-OE1 3Å; T218-E220 PolarHBondContact O-N 3.4Å; T218-E220 VanDerWaalsContact O-N 3.16Å; T218-E220 PolarHBondContact OG1-N 3.15Å; E220-K223 PolarHBondContact O-N 3.04Å; E220-K224 WeakPolarHBondContact O-CG 3.49Å; E220-K224 PolarHBondContact O-N 3.39Å
221D85Confident83.3Confident50 Ų5090.8 Ų90.827%0.26744%0.441SS..Hα-helixtrans-70.8-37.3179.8-53-44.1000111.5P217 T218 K223 K224 Q225P217-D221 HydrophobicContact CB-CB 3.85Å; T218-D221 WeakPolarHBondContact CB-OD2 3.3Å; T218-D221 WeakPolarHBondContact CG2-OD2 3.48Å; T218-D221 PolarHBondContact N-OD2 3.4Å; T218-D221 PolarHBondContact O-N 2.91Å; T218-D221 PolarHBondContact OG1-N 3.47Å; T218-D221 PolarHBondContact OG1-OD2 3.38Å; D221-K223 PolarHBondContact O-N 2.9Å; D221-K224 PolarHBondContact O-N 3.31Å; D221-K224 IonicContact OD1-NZ 2.93Å; D221-K224 PolarHBondContact OD1-NZ 2.8Å; D221-Q225 WeakPolarHBondContact O-CB 3.32Å; D221-Q225 VanDerWaalsContact O-CG 3.23Å; D221-Q225 WeakPolarHBondContact O-CG 3.42Å; D221-Q225 PolarHBondContact O-N 2.89Å
222E82.2Confident83.2Confident72 Ų7291.9 Ų91.934%0.33645%0.449SS..Hα-helixtrans-58.2-45.8168.3-76.8-178168.900111.5R211 P217 T218 K224 Q225 E226R211-E222 IonicContact CZ-OE1 2.71Å; R211-E222 IonicContact CZ-OE2 3.01Å; R211-E222 IonicContact NH1-OE1 2.71Å; R211-E222 PolarHBondContact NH1-OE1 2.96Å; R211-E222 IonicContact NH1-OE2 3.77Å; R211-E222 PolarHBondContact NH1-OE2 3Å; R211-E222 IonicContact NH2-OE1 3.18Å; R211-E222 PolarHBondContact NH2-OE1 3.36Å; R211-E222 IonicContact NH2-OE2 3.3Å; R211-E222 PolarHBondContact NH2-OE2 3.14Å; P217-E222 HydrophobicContact CB-CG 4.28Å; P217-E222 HydrophobicContact CG-CG 3.97Å; T218-E222 PolarHBondContact O-N 2.92Å; E222-K224 PolarHBondContact O-N 3.47Å; E222-Q225 PolarHBondContact O-N 3.49Å; E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 2.84Å
223K84Confident83.2Confident132 Ų13288.1 Ų88.157%0.57445%0.449SS*.Hα-helixtrans-63.7-41.2177.5-76.2173.8-177.7-177.80112.6T219 E220 D221 E226 L227T219-K223 WeakPolarHBondContact O-CD 3.32Å; T219-K223 VanDerWaalsContact O-CG 3.24Å; T219-K223 WeakPolarHBondContact O-CG 3.24Å; T219-K223 PolarHBondContact O-N 2.92Å; E220-K223 PolarHBondContact O-N 3.04Å; D221-K223 PolarHBondContact O-N 2.9Å; K223-E226 PolarHBondContact O-N 3.46Å; K223-L227 WeakPolarHBondContact O-CB 3.11Å; K223-L227 PolarHBondContact O-N 3.37Å
224K83.4Confident83.5Confident124 Ų12486.1 Ų86.154%0.53945%0.451SS..Hα-helixtrans-60.6-45.7172.9-69170.1-161.4158.90110.6E220 D221 E222 L227 L228E220-K224 WeakPolarHBondContact O-CG 3.49Å; E220-K224 PolarHBondContact O-N 3.39Å; D221-K224 PolarHBondContact O-N 3.31Å; D221-K224 IonicContact OD1-NZ 2.93Å; D221-K224 PolarHBondContact OD1-NZ 2.8Å; E222-K224 PolarHBondContact O-N 3.47Å; K224-L227 PolarHBondContact O-N 2.96Å; K224-L228 VanDerWaalsContact O-CB 3.23Å; K224-L228 WeakPolarHBondContact O-CB 3.09Å; K224-L228 PolarHBondContact O-N 3.44Å
225Q83.3Confident83.5Confident88 Ų8883.6 Ų83.641%0.41144%0.438SS..Hα-helixtrans-65.4-38.9178.3-72.3175.324.400112.6D221 E222 K229D221-Q225 WeakPolarHBondContact O-CB 3.32Å; D221-Q225 VanDerWaalsContact O-CG 3.23Å; D221-Q225 WeakPolarHBondContact O-CG 3.42Å; D221-Q225 PolarHBondContact O-N 2.89Å; E222-Q225 PolarHBondContact O-N 3.49Å; Q225-K229 VanDerWaalsContact O-CB 3.32Å; Q225-K229 WeakPolarHBondContact O-CB 3.38Å; Q225-K229 WeakPolarHBondContact O-CD 3.3Å; Q225-K229 WeakPolarHBondContact O-CG 3.4Å; Q225-K229 PolarHBondContact O-N 3.33Å
226E87.5Confident83.3Confident113 Ų11385.5 Ų85.553%0.52844%0.438SS..Hα-helixtrans-66.2-43.8174-77.2-170.217600112.3E222 K223 K229 K230E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 2.84Å; K223-E226 PolarHBondContact O-N 3.46Å; E226-K229 PolarHBondContact O-N 3.03Å; E226-K230 WeakPolarHBondContact O-CG 3.26Å; E226-K230 PolarHBondContact O-N 2.89Å
227L85.1Confident83.1Confident124 Ų12490.5 Ų90.565%0.64946%0.459SS*.Hα-helixtrans-64.2-44.8177.6-173.665.1000110.8K223 K224 K230 F231K223-L227 WeakPolarHBondContact O-CB 3.11Å; K223-L227 PolarHBondContact O-N 3.37Å; K224-L227 PolarHBondContact O-N 2.96Å; L227-K230 PolarHBondContact O-N 3.45Å; L227-F231 WeakPolarHBondContact O-CB 3.45Å; L227-F231 PolarHBondContact O-N 2.89Å
228L82.1Confident82.5Confident49 Ų4992.5 Ų92.526%0.25747%0.466SS..Hα-helixtrans-61.4-45.8174.8-179.264.8000111.5K224 K230 F231 M232 F245K224-L228 VanDerWaalsContact O-CB 3.23Å; K224-L228 WeakPolarHBondContact O-CB 3.09Å; K224-L228 PolarHBondContact O-N 3.44Å; L228-K230 VanDerWaalsContact C-N 3.31Å; L228-K230 PolarHBondContact O-N 3.1Å; L228-F231 WeakPolarHBondContact O-CB 3.4Å; L228-F231 PolarHBondContact O-N 3.46Å; L228-F231 VanDerWaalsContact O-N 3.16Å; L228-M232 HydrophobicContact CD1-CG 4.27Å; L228-M232 HydrophobicContact CD1-SD 4.42Å; L228-M232 HydrophobicContact CG-CG 4.33Å; L228-M232 HydrophobicContact CG-SD 3.96Å; L228-M232 WeakPolarHBondContact O-CG 3.18Å; L228-M232 PolarHBondContact O-N 2.97Å; L228-F245 HydrophobicContact CD1-CD1 4.42Å; L228-F245 HydrophobicContact CD1-CE1 3.64Å; L228-F245 HydrophobicContact CD1-CZ 4.08Å; L228-F245 HydrophobicContact CD2-CD1 3.62Å; L228-F245 HydrophobicContact CD2-CD2 4.33Å; L228-F245 HydrophobicContact CD2-CE1 3.48Å; L228-F245 VanDerWaalsContact CD2-CE1 3.48Å; L228-F245 HydrophobicContact CD2-CE2 4.22Å; L228-F245 HydrophobicContact CD2-CG 4.05Å; L228-F245 HydrophobicContact CD2-CZ 3.79Å; L228-F245 HydrophobicContact CG-CE1 4.19Å; L228-F245 HydrophobicContact CG-CZ 4.46Å
229K83.1Confident81.9Confident134 Ų13497.1 Ų97.158%0.58349%0.49SS*.Hα-helixtrans-58.3-42.2175.3-78.4166.6-175.9169.30112.1Q225 E226 S233Q225-K229 VanDerWaalsContact O-CB 3.32Å; Q225-K229 WeakPolarHBondContact O-CB 3.38Å; Q225-K229 WeakPolarHBondContact O-CD 3.3Å; Q225-K229 WeakPolarHBondContact O-CG 3.4Å; Q225-K229 PolarHBondContact O-N 3.33Å; E226-K229 PolarHBondContact O-N 3.03Å; K229-S233 WeakPolarHBondContact O-CB 3.39Å; K229-S233 PolarHBondContact O-N 3.14Å; K229-S233 PolarHBondContact O-OG 3.23Å
230K84.7Confident81.4Confident131 Ų13197.7 Ų97.757%0.5749%0.489SS*.Hα-helixtrans-62.1-46.7174.6-75.2171-179.3168.30111.2E226 L227 L228 S233 A234E226-K230 WeakPolarHBondContact O-CG 3.26Å; E226-K230 PolarHBondContact O-N 2.89Å; L227-K230 PolarHBondContact O-N 3.45Å; L228-K230 VanDerWaalsContact C-N 3.31Å; L228-K230 PolarHBondContact O-N 3.1Å; K230-S233 WeakPolarHBondContact CA-OG 3.4Å; K230-S233 PolarHBondContact O-N 3.31Å; K230-S233 PolarHBondContact O-OG 3.43Å; K230-A234 WeakPolarHBondContact O-CB 3.35Å; K230-A234 PolarHBondContact O-N 3.27Å
231F84.3Confident81Confident93 Ų9397.4 Ų97.441%0.40850%0.498SS..Hα-helixtrans-59.4-49.3177.2-171.2-110.9000112.4L227 L228 S233 A234 H235 M238 F240L227-F231 WeakPolarHBondContact O-CB 3.45Å; L227-F231 PolarHBondContact O-N 2.89Å; L228-F231 WeakPolarHBondContact O-CB 3.4Å; L228-F231 PolarHBondContact O-N 3.46Å; L228-F231 VanDerWaalsContact O-N 3.16Å; F231-S233 VanDerWaalsContact C-N 3.26Å; F231-S233 PolarHBondContact O-N 3Å; F231-A234 PolarHBondContact O-N 3.46Å; F231-A234 VanDerWaalsContact O-N 3.14Å; F231-H235 AromaticContact CD2-CD2 3.47Å; F231-H235 VanDerWaalsContact CD2-CD2 3.47Å; F231-H235 WeakPolarHBondContact CD2-CD2 3.46Å; F231-H235 AromaticContact CD2-NE2 3.73Å; F231-H235 AromaticContact CE2-CD2 3.39Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.45Å; F231-H235 AromaticContact CE2-NE2 3.46Å; F231-H235 WeakPolarHBondContact CE2-NE2 3.41Å; F231-H235 AromaticContact CZ-CD2 3.95Å; F231-H235 PolarHBondContact O-CD2 3.46Å; F231-H235 PolarHBondContact O-N 3.31Å; F231-M238 HydrophobicContact CE1-CE 3.64Å; F231-M238 HydrophobicContact CE2-CE 4.39Å; F231-M238 HydrophobicContact CZ-CE 3.52Å; F231-F240 HydrophobicContact CD1-CE1 4.07Å; F231-F240 AromaticContact CD1-CZ 3.63Å; F231-F240 HydrophobicContact CD1-CZ 3.63Å; F231-F240 AromaticContact CE1-CE1 3.99Å; F231-F240 HydrophobicContact CE1-CE1 3.99Å; F231-F240 AromaticContact CE1-CZ 3.63Å; F231-F240 HydrophobicContact CE1-CZ 3.63Å
232M81.8Confident80.4Confident74 Ų74103.5 Ų103.537%0.36552%0.523SS..Hα-helixtrans-58.8-35.9175-63.1168.710100112.5L228 H235 F240L228-M232 HydrophobicContact CD1-CG 4.27Å; L228-M232 HydrophobicContact CD1-SD 4.42Å; L228-M232 HydrophobicContact CG-CG 4.33Å; L228-M232 HydrophobicContact CG-SD 3.96Å; L228-M232 WeakPolarHBondContact O-CG 3.18Å; L228-M232 PolarHBondContact O-N 2.97Å; M232-H235 CarbonylContact O-C 3.54Å; M232-F240 HydrophobicContact CB-CD2 4.2Å; M232-F240 HydrophobicContact CB-CE2 4.14Å; M232-F240 HydrophobicContact CE-CB 3.51Å; M232-F240 HydrophobicContact CE-CD2 4.02Å; M232-F240 HydrophobicContact CE-CG 3.85Å; M232-F240 HydrophobicContact CG-CD1 4.49Å; M232-F240 HydrophobicContact CG-CD2 3.64Å; M232-F240 HydrophobicContact CG-CE2 3.76Å; M232-F240 HydrophobicContact CG-CG 4.04Å; M232-F240 HydrophobicContact CG-CZ 4.25Å
233S82.4Confident79.6Confident91 Ų91102 Ų10264%0.63652%0.523SS*.Hα-helixtrans-76.5-27.1177.670.70000114.2K229 K230 F231K229-S233 WeakPolarHBondContact O-CB 3.39Å; K229-S233 PolarHBondContact O-N 3.14Å; K229-S233 PolarHBondContact O-OG 3.23Å; K230-S233 WeakPolarHBondContact CA-OG 3.4Å; K230-S233 PolarHBondContact O-N 3.31Å; K230-S233 PolarHBondContact O-OG 3.43Å; F231-S233 VanDerWaalsContact C-N 3.26Å; F231-S233 PolarHBondContact O-N 3Å
234A83.4Confident78.5Confident69 Ų69102.6 Ų102.657%0.5753%0.525SS*.Hα-helixtrans-81.8-31.1176.700000112.2K230 F231 P236K230-A234 WeakPolarHBondContact O-CB 3.35Å; K230-A234 PolarHBondContact O-N 3.27Å; F231-A234 PolarHBondContact O-N 3.46Å; F231-A234 VanDerWaalsContact O-N 3.14Å; A234-P236 WeakPolarHBondContact O-CD 3.44Å
235H81.5Confident77.6Confident67 Ų67102.2 Ų102.231%0.3152%0.524SS..  trans-11666.2178.3-55-79.1000111.6F231 M232 E237 M238F231-H235 AromaticContact CD2-CD2 3.47Å; F231-H235 VanDerWaalsContact CD2-CD2 3.47Å; F231-H235 WeakPolarHBondContact CD2-CD2 3.46Å; F231-H235 AromaticContact CD2-NE2 3.73Å; F231-H235 AromaticContact CE2-CD2 3.39Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.45Å; F231-H235 AromaticContact CE2-NE2 3.46Å; F231-H235 WeakPolarHBondContact CE2-NE2 3.41Å; F231-H235 AromaticContact CZ-CD2 3.95Å; F231-H235 PolarHBondContact O-CD2 3.46Å; F231-H235 PolarHBondContact O-N 3.31Å; M232-H235 CarbonylContact O-C 3.54Å; H235-E237 PolarHBondContact O-N 3.21Å; H235-E237 VanDerWaalsContact O-N 3.14Å; H235-M238 HydrophobicContact CB-CB 4.44Å; H235-M238 HydrophobicContact CB-CE 3.41Å; H235-M238 VanDerWaalsContact CB-CE 3.41Å; H235-M238 HydrophobicContact CB-CG 4.31Å; H235-M238 PolarHBondContact O-N 3.24Å
236P76.1Confident76.3Confident109 Ų109109.1 Ų109.171%0.70856%0.563SS**THydrogen-bonded Turntrans-66.3-13.4-178.829.8-37.1000113.8A234 M238A234-P236 WeakPolarHBondContact O-CD 3.44Å; P236-M238 VanDerWaalsContact C-N 3.32Å
237E80.6Confident75.8Confident192 Ų192108.9 Ų108.990%0.89757%0.565SS**THydrogen-bonded Turntrans-75.7-18.5173.1-60-170.417400113H235H235-E237 PolarHBondContact O-N 3.21Å; H235-E237 VanDerWaalsContact O-N 3.14Å
238M70.6Confident75.3Confident88 Ų88108.1 Ų108.143%0.43356%0.561SS.*SBendtrans-86.4113.9177.6-71.4-157.7-81.600111.3F231 H235 P236 F240F231-M238 HydrophobicContact CE1-CE 3.64Å; F231-M238 HydrophobicContact CE2-CE 4.39Å; F231-M238 HydrophobicContact CZ-CE 3.52Å; H235-M238 HydrophobicContact CB-CB 4.44Å; H235-M238 HydrophobicContact CB-CE 3.41Å; H235-M238 VanDerWaalsContact CB-CE 3.41Å; H235-M238 HydrophobicContact CB-CG 4.31Å; H235-M238 PolarHBondContact O-N 3.24Å; P236-M238 VanDerWaalsContact C-N 3.32Å; M238-F240 HydrophobicContact CB-CD2 4.28Å; M238-F240 HydrophobicContact CB-CE2 3.58Å; M238-F240 HydrophobicContact CB-CZ 3.84Å; M238-F240 HydrophobicContact CE-CZ 4.13Å; M238-F240 WeakPolarHBondContact O-CD2 3.48Å; M238-F240 WeakPolarHBondContact O-CE2 3.49Å; M238-F240 PolarHBondContact O-N 3.41Å
239D73.8Confident74.9Confident112 Ų112111.4 Ų111.460%0.59958%0.578SS**  trans-79.296.6175.7177.821.7000111.9S241D239-S241 VanDerWaalsContact C-N 3.25Å; D239-S241 PolarHBondContact O-N 2.98Å; D239-S241 WeakPolarHBondContact OD1-CB 3.49Å; D239-S241 PolarHBondContact OD1-N 3.15Å; D239-S241 PolarHBondContact OD1-OG 3.14Å; D239-S241 PolarHBondContact OD2-OG 3.44Å
240F71.3Confident74.4Confident41 Ų41110.1 Ų110.118%0.1858%0.577CS.*G310 helixtrans-78.83.6174.6-62.1-87000114.2F231 M232 M238 K242 A243 F245F231-F240 HydrophobicContact CD1-CE1 4.07Å; F231-F240 AromaticContact CD1-CZ 3.63Å; F231-F240 HydrophobicContact CD1-CZ 3.63Å; F231-F240 AromaticContact CE1-CE1 3.99Å; F231-F240 HydrophobicContact CE1-CE1 3.99Å; F231-F240 AromaticContact CE1-CZ 3.63Å; F231-F240 HydrophobicContact CE1-CZ 3.63Å; M232-F240 HydrophobicContact CB-CD2 4.2Å; M232-F240 HydrophobicContact CB-CE2 4.14Å; M232-F240 HydrophobicContact CE-CB 3.51Å; M232-F240 HydrophobicContact CE-CD2 4.02Å; M232-F240 HydrophobicContact CE-CG 3.85Å; M232-F240 HydrophobicContact CG-CD1 4.49Å; M232-F240 HydrophobicContact CG-CD2 3.64Å; M232-F240 HydrophobicContact CG-CE2 3.76Å; M232-F240 HydrophobicContact CG-CG 4.04Å; M232-F240 HydrophobicContact CG-CZ 4.25Å; M238-F240 HydrophobicContact CB-CD2 4.28Å; M238-F240 HydrophobicContact CB-CE2 3.58Å; M238-F240 HydrophobicContact CB-CZ 3.84Å; M238-F240 HydrophobicContact CE-CZ 4.13Å; M238-F240 WeakPolarHBondContact O-CD2 3.48Å; M238-F240 WeakPolarHBondContact O-CE2 3.49Å; M238-F240 PolarHBondContact O-N 3.41Å; F240-K242 PolarHBondContact O-N 3.47Å; F240-A243 HydrophobicContact CB-CB 4.25Å; F240-A243 HydrophobicContact CD1-CB 4.25Å; F240-A243 WeakPolarHBondContact O-CB 3.46Å; F240-A243 PolarHBondContact O-N 3.01Å; F240-F245 HydrophobicContact CB-CZ 4.34Å; F240-F245 HydrophobicContact CD1-CZ 4.12Å
241S74.4Confident73.8Confident92 Ų92108.8 Ų108.864%0.64358%0.578SS**G310 helixtrans-59.8-22.7-178.270.10000114.1D239D239-S241 VanDerWaalsContact C-N 3.25Å; D239-S241 PolarHBondContact O-N 2.98Å; D239-S241 WeakPolarHBondContact OD1-CB 3.49Å; D239-S241 PolarHBondContact OD1-N 3.15Å; D239-S241 PolarHBondContact OD1-OG 3.14Å; D239-S241 PolarHBondContact OD2-OG 3.44Å
242K72.4Confident73.1Confident179 Ų179109.8 Ų109.878%0.77859%0.589SS**G310 helixtrans-100.1-8.1176.5-61.8178.1-173.51700113.8F240F240-K242 PolarHBondContact O-N 3.47Å
243A65.4Low72.4Confident41 Ų41112.4 Ų112.434%0.33961%0.605SS.*  trans-71.3130.5-179.700000110.1F240 F245F240-A243 HydrophobicContact CB-CB 4.25Å; F240-A243 HydrophobicContact CD1-CB 4.25Å; F240-A243 WeakPolarHBondContact O-CB 3.46Å; F240-A243 PolarHBondContact O-N 3.01Å; A243-F245 HydrophobicContact CB-CE1 4.03Å; A243-F245 HydrophobicContact CB-CE2 3.81Å; A243-F245 HydrophobicContact CB-CZ 3.45Å; A243-F245 VanDerWaalsContact CB-CZ 3.45Å
244K62.4Low71.7Confident143 Ų143114 Ų11462%0.62260%0.603SS**  trans-105.2110.4176.4-76.1-179172.5-165.90109.5L75L75-K244 HydrophobicContact CD1-CD 3.93Å; L75-K244 HydrophobicContact CD2-CD 3.39Å; L75-K244 HydrophobicContact CG-CD 4.32Å
245F64.4Low70.7Confident116 Ų116117.8 Ų117.851%0.50961%0.605SS.*  trans-91.9111.3177.5-50.8-75.2000108.3L228 F240 A243L228-F245 HydrophobicContact CD1-CD1 4.42Å; L228-F245 HydrophobicContact CD1-CE1 3.64Å; L228-F245 HydrophobicContact CD1-CZ 4.08Å; L228-F245 HydrophobicContact CD2-CD1 3.62Å; L228-F245 HydrophobicContact CD2-CD2 4.33Å; L228-F245 HydrophobicContact CD2-CE1 3.48Å; L228-F245 VanDerWaalsContact CD2-CE1 3.48Å; L228-F245 HydrophobicContact CD2-CE2 4.22Å; L228-F245 HydrophobicContact CD2-CG 4.05Å; L228-F245 HydrophobicContact CD2-CZ 3.79Å; L228-F245 HydrophobicContact CG-CE1 4.19Å; L228-F245 HydrophobicContact CG-CZ 4.46Å; F240-F245 HydrophobicContact CB-CZ 4.34Å; F240-F245 HydrophobicContact CD1-CZ 4.12Å; A243-F245 HydrophobicContact CB-CE1 4.03Å; A243-F245 HydrophobicContact CB-CE2 3.81Å; A243-F245 HydrophobicContact CB-CZ 3.45Å; A243-F245 VanDerWaalsContact CB-CZ 3.45Å
246N55.6Low69.7Low233 Ų233122.4 Ų122.4100%1.24663%0.632SS**  trans-102.60168.1-74.2-0.8000109.3

Retrieved 246 of 246 residues in 62.9 ms (Link to these results)

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