A0A077ZN51_TRITR Loading...

Ank 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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
1M78.2Confident80.5Confident25 Ų2557.4 Ų57.412%0.12328%0.279CS..  0-72.80-158.758-174.700110E3 A4 C5 A13 L16 I17 P33 L49M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 2.88Å; M1-E3 VanDerWaalsContact O-N 3.16Å; M1-A4 WeakPolarHBondContact O-CB 3.45Å; M1-A4 PolarHBondContact O-N 3.32Å; M1-C5 PolarHBondContact O-N 3.25Å; M1-C5 PolarHBondContact O-SG 3.08Å; M1-C5 VanDerWaalsContact O-SG 3.42Å; M1-A13 HydrophobicContact CE-CB 4.34Å; M1-L16 HydrophobicContact CB-CD1 4.34Å; M1-L16 VanDerWaalsContact N-CD1 3.35Å; M1-L16 HydrophobicContact SD-CB 3.82Å; M1-L16 HydrophobicContact SD-CD1 3.89Å; M1-I17 HydrophobicContact CE-CD1 3.9Å; M1-I17 HydrophobicContact CE-CG1 3.72Å; M1-P33 HydrophobicContact CB-CG 4.35Å; M1-P33 HydrophobicContact CE-CB 4.49Å; M1-P33 HydrophobicContact CG-CB 3.89Å; M1-P33 HydrophobicContact CG-CG 3.68Å; M1-L49 HydrophobicContact CE-CD2 3.39Å
2H81.7Confident80.9Confident23 Ų2359.5 Ų59.511%0.10629%0.291CS..Hα-helixtrans-43.9-50.4175.5-59.682.3000113.5A4 C5 N6 R25 S27 T31 D36H2-A4 PolarHBondContact O-N 2.86Å; H2-C5 PolarHBondContact O-N 2.76Å; H2-N6 VanDerWaalsContact O-CB 3.28Å; H2-N6 WeakPolarHBondContact O-CB 3.28Å; H2-N6 PolarHBondContact O-N 2.99Å; H2-R25 PolarHBondContact CE1-O 3.19Å; H2-R25 PolarHBondContact NE2-O 3.32Å; H2-S27 PolarHBondContact NE2-N 2.98Å; H2-T31 PolarHBondContact NE2-O 3.08Å; H2-D36 WeakPolarHBondContact CB-OD2 3.48Å; H2-D36 IonicContact CD2-OD2 3.47Å; H2-D36 PolarHBondContact CD2-OD2 3.41Å; H2-D36 IonicContact CG-OD2 3.34Å
3E80Confident81.2Confident126 Ų12654.9 Ų54.959%0.58927%0.269SS*.Hα-helixtrans-60.7-43.5179-164.766-17100113.7M1 C5 N6 H7M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 2.88Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-C5 VanDerWaalsContact C-N 3.34Å; E3-N6 PolarHBondContact O-N 2.72Å; E3-H7 WeakPolarHBondContact O-CB 3.47Å; E3-H7 PolarHBondContact O-N 2.99Å; E3-H7 VanDerWaalsContact O-N 3.1Å; E3-H7 PolarHBondContact O-ND1 2.84Å; E3-H7 IonicContact OE1-CE1 3.97Å; E3-H7 PolarHBondContact OE1-CE1 2.81Å; E3-H7 IonicContact OE1-ND1 3.16Å; E3-H7 PolarHBondContact OE1-ND1 3.02Å; E3-H7 IonicContact OE1-NE2 3.65Å
4A81.5Confident81.6Confident6 Ų654.6 Ų54.65%0.0527%0.267CS..Hα-helixtrans-65.7-40.1178.300000111M1 H2 G8 H9 I12 L16M1-A4 WeakPolarHBondContact O-CB 3.45Å; M1-A4 PolarHBondContact O-N 3.32Å; H2-A4 PolarHBondContact O-N 2.86Å; A4-G8 PolarHBondContact O-N 2.9Å; A4-H9 HydrophobicContact CB-CB 4.24Å; A4-H9 PolarHBondContact O-N 2.8Å; A4-I12 HydrophobicContact CB-CB 4.05Å; A4-I12 HydrophobicContact CB-CG2 3.75Å; A4-L16 HydrophobicContact CB-CD1 4.29Å
5C83.1Confident81.8Confident0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-71.9-36.4178.6-62.90000112.9M1 H2 E3 H7 G8 P33 A37 H42 V45M1-C5 PolarHBondContact O-N 3.25Å; M1-C5 PolarHBondContact O-SG 3.08Å; M1-C5 VanDerWaalsContact O-SG 3.42Å; H2-C5 PolarHBondContact O-N 2.76Å; E3-C5 VanDerWaalsContact C-N 3.34Å; C5-H7 VanDerWaalsContact C-N 3.33Å; C5-G8 PolarHBondContact O-N 3.43Å; C5-P33 HydrophobicContact CB-CB 4.2Å; C5-P33 WeakPolarHBondContact CB-O 3.46Å; C5-A37 HydrophobicContact CB-CB 4.21Å; C5-A37 WeakPolarHBondContact O-CA 3.49Å; C5-H42 PolarHBondContact O-CD2 3.36Å; C5-V45 HydrophobicContact CB-CG1 4.19Å
6N79.2Confident82Confident59 Ų5957.3 Ų57.332%0.31628%0.283SS..Hα-helixtrans-65.3-38175.5-169.7-6.7000111.4H2 E3 D36 N40 H42H2-N6 VanDerWaalsContact O-CB 3.28Å; H2-N6 WeakPolarHBondContact O-CB 3.28Å; H2-N6 PolarHBondContact O-N 2.99Å; E3-N6 PolarHBondContact O-N 2.72Å; N6-D36 HydrophobicContact CB-CB 4.36Å; N6-N40 PolarHBondContact O-ND2 2.77Å; N6-N40 PolarHBondContact OD1-ND2 3.46Å; N6-H42 PolarHBondContact O-CD2 2.82Å; N6-H42 PolarHBondContact O-NE2 2.97Å
7H77.8Confident82.3Confident85 Ų8554.9 Ų54.939%0.39427%0.272SS..Hα-helixtrans-90.6-2.5-179.6-67.886.3000114.8E3 C5 H9E3-H7 WeakPolarHBondContact O-CB 3.47Å; E3-H7 PolarHBondContact O-N 2.99Å; E3-H7 VanDerWaalsContact O-N 3.1Å; E3-H7 PolarHBondContact O-ND1 2.84Å; E3-H7 IonicContact OE1-CE1 3.97Å; E3-H7 PolarHBondContact OE1-CE1 2.81Å; E3-H7 IonicContact OE1-ND1 3.16Å; E3-H7 PolarHBondContact OE1-ND1 3.02Å; E3-H7 IonicContact OE1-NE2 3.65Å; C5-H7 VanDerWaalsContact C-N 3.33Å; H7-H9 VanDerWaalsContact C-N 3.33Å
8G74.2Confident82.5Confident7 Ų760.5 Ų60.57%0.07229%0.289CS..THydrogen-bonded Turntrans72.525.1179.500000113.6A4 C5 Y10 H42A4-G8 PolarHBondContact O-N 2.9Å; C5-G8 PolarHBondContact O-N 3.43Å; G8-Y10 VanDerWaalsContact C-N 3.34Å; G8-Y10 PolarHBondContact O-N 2.97Å; G8-H42 VanDerWaalsContact CA-CD2 3.42Å; G8-H42 WeakPolarHBondContact CA-CD2 3.45Å; G8-H42 VanDerWaalsContact CA-CG 3.45Å; G8-H42 PolarHBondContact N-CD2 3.27Å; G8-H42 VanDerWaalsContact N-CD2 3.3Å; G8-H42 PolarHBondContact N-NE2 3.06Å
9H82.8Confident82.8Confident91 Ų9164.5 Ų64.542%0.42131%0.308SS..  trans-79.282.6178.9-64.1-33.2000110.8A4 H7 D11 I12 A13A4-H9 HydrophobicContact CB-CB 4.24Å; A4-H9 PolarHBondContact O-N 2.8Å; H7-H9 VanDerWaalsContact C-N 3.33Å; H9-D11 PolarHBondContact O-N 3.35Å; H9-I12 HydrophobicContact CB-CB 3.87Å; H9-I12 HydrophobicContact CB-CD1 3.81Å; H9-I12 HydrophobicContact CB-CG1 3.94Å; H9-I12 PolarHBondContact O-N 2.83Å; H9-A13 WeakPolarHBondContact O-CB 3.41Å; H9-A13 PolarHBondContact O-N 3.37Å
10Y82.1Confident82.8Confident82 Ų8262.6 Ų62.632%0.32231%0.306SS..Hα-helixtrans-50.6-54.7178.4-178.9-88.8000112.4G8 I12 A13 E14 D44 L48G8-Y10 VanDerWaalsContact C-N 3.34Å; G8-Y10 PolarHBondContact O-N 2.97Å; Y10-I12 VanDerWaalsContact C-N 3.26Å; Y10-I12 PolarHBondContact O-N 3.03Å; Y10-A13 WeakPolarHBondContact O-CB 3.43Å; Y10-A13 PolarHBondContact O-N 2.92Å; Y10-A13 VanDerWaalsContact O-N 3.07Å; Y10-E14 HydrophobicContact CE1-CB 4.5Å; Y10-E14 PolarHBondContact O-N 3.26Å; Y10-D44 HydrophobicContact CD2-CB 4.08Å; Y10-L48 HydrophobicContact CD2-CB 4.39Å; Y10-L48 HydrophobicContact CD2-CD2 4.17Å; Y10-L48 HydrophobicContact CE2-CB 3.87Å; Y10-L48 HydrophobicContact CE2-CD1 4.22Å; Y10-L48 HydrophobicContact CE2-CD2 4Å; Y10-L48 HydrophobicContact CE2-CG 4.25Å
11D85.3Confident82.8Confident127 Ų12761 Ų6168%0.67930%0.302SS*.Hα-helixtrans-58.8-38.5-176.9-54.9-17.5000112.3H9 L15H9-D11 PolarHBondContact O-N 3.35Å; D11-L15 VanDerWaalsContact O-CB 3.27Å; D11-L15 WeakPolarHBondContact O-CB 3.33Å; D11-L15 PolarHBondContact O-N 3.29Å
12I85Confident83.2Confident83 Ų8364 Ų6443%0.42632%0.319SS..Hα-helixtrans-73.5-41.6179-56.7-179.4000109.9A4 H9 Y10 L15 L16A4-I12 HydrophobicContact CB-CB 4.05Å; A4-I12 HydrophobicContact CB-CG2 3.75Å; H9-I12 HydrophobicContact CB-CB 3.87Å; H9-I12 HydrophobicContact CB-CD1 3.81Å; H9-I12 HydrophobicContact CB-CG1 3.94Å; H9-I12 PolarHBondContact O-N 2.83Å; Y10-I12 VanDerWaalsContact C-N 3.26Å; Y10-I12 PolarHBondContact O-N 3.03Å; I12-L15 PolarHBondContact O-N 2.93Å; I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 HydrophobicContact CG2-CG 4.31Å; I12-L16 WeakPolarHBondContact O-CB 3.09Å; I12-L16 WeakPolarHBondContact O-CG 3.3Å; I12-L16 PolarHBondContact O-N 3.35Å
13A84.7Confident83.4Confident0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-61.7-45175.900000111M1 H9 Y10 L16 I17 V45 L48M1-A13 HydrophobicContact CE-CB 4.34Å; H9-A13 WeakPolarHBondContact O-CB 3.41Å; H9-A13 PolarHBondContact O-N 3.37Å; Y10-A13 WeakPolarHBondContact O-CB 3.43Å; Y10-A13 PolarHBondContact O-N 2.92Å; Y10-A13 VanDerWaalsContact O-N 3.07Å; A13-L16 PolarHBondContact O-N 3.21Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.48Å; A13-I17 PolarHBondContact O-N 2.9Å; A13-V45 HydrophobicContact CB-CG1 4.28Å; A13-L48 HydrophobicContact CB-CD2 4.01Å
14E86.4Confident83.5Confident51 Ų5160.8 Ų60.824%0.23831%0.306CS..Hα-helixtrans-62.6-47.4176.9-169.2-172.7-160.700111.4Y10 L16 I17 R18 L48Y10-E14 HydrophobicContact CE1-CB 4.5Å; Y10-E14 PolarHBondContact O-N 3.26Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3.36Å; E14-I17 PolarHBondContact O-N 2.92Å; E14-R18 VanDerWaalsContact CD-NH2 3.31Å; E14-R18 WeakPolarHBondContact O-CG 3.14Å; E14-R18 PolarHBondContact O-N 2.9Å; E14-R18 IonicContact OE1-CZ 3.25Å; E14-R18 VanDerWaalsContact OE1-CZ 3.25Å; E14-R18 IonicContact OE1-NE 3.47Å; E14-R18 PolarHBondContact OE1-NE 3.32Å; E14-R18 IonicContact OE1-NH2 2.63Å; E14-R18 PolarHBondContact OE1-NH2 3.17Å; E14-R18 IonicContact OE2-CZ 3.85Å; E14-R18 IonicContact OE2-NH2 3.6Å; E14-L48 HydrophobicContact CB-CD1 4.48Å; E14-L48 HydrophobicContact CB-CD2 3.89Å; E14-L48 HydrophobicContact CG-CD1 4.3Å
15L84.8Confident83.7Confident97 Ų9767.1 Ų67.151%0.50833%0.329SS..Hα-helixtrans-59.2-44.7176.9-178.365.3000111.4D11 I12 I17 R18 Q19D11-L15 VanDerWaalsContact O-CB 3.27Å; D11-L15 WeakPolarHBondContact O-CB 3.33Å; D11-L15 PolarHBondContact O-N 3.29Å; I12-L15 PolarHBondContact O-N 2.93Å; L15-I17 PolarHBondContact O-N 3.36Å; L15-R18 PolarHBondContact O-N 3.35Å; L15-Q19 HydrophobicContact CD1-CG 4.38Å; L15-Q19 HydrophobicContact CG-CG 4.46Å; L15-Q19 WeakPolarHBondContact O-CB 3.24Å; L15-Q19 VanDerWaalsContact O-CG 3.24Å; L15-Q19 WeakPolarHBondContact O-CG 3.09Å; L15-Q19 PolarHBondContact O-N 2.89Å
16L84.8Confident83.7Confident54 Ų5473 Ų7328%0.28335%0.354SS..Hα-helixtrans-62.5-42.7178.4-74.6173.4000111.7M1 A4 I12 A13 E14 Q19 G20 A21M1-L16 HydrophobicContact CB-CD1 4.34Å; M1-L16 VanDerWaalsContact N-CD1 3.35Å; M1-L16 HydrophobicContact SD-CB 3.82Å; M1-L16 HydrophobicContact SD-CD1 3.89Å; A4-L16 HydrophobicContact CB-CD1 4.29Å; I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 HydrophobicContact CG2-CG 4.31Å; I12-L16 WeakPolarHBondContact O-CB 3.09Å; I12-L16 WeakPolarHBondContact O-CG 3.3Å; I12-L16 PolarHBondContact O-N 3.35Å; A13-L16 PolarHBondContact O-N 3.21Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3.36Å; L16-Q19 CarbonylContact O-C 3.57Å; L16-Q19 PolarHBondContact O-N 2.77Å; L16-G20 PolarHBondContact O-N 2.92Å; L16-A21 HydrophobicContact CB-CB 3.88Å; L16-A21 WeakPolarHBondContact O-CB 3.28Å; L16-A21 PolarHBondContact O-N 2.84Å
17I87.4Confident83.8Confident18 Ų1872.2 Ų72.29%0.09235%0.354CS..Hα-helixtrans-61.1-46.3175.4-68.4165.5000110.4M1 A13 E14 L15 Q19 G20 I23 L48 L49 N52M1-I17 HydrophobicContact CE-CD1 3.9Å; M1-I17 HydrophobicContact CE-CG1 3.72Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.48Å; A13-I17 PolarHBondContact O-N 2.9Å; E14-I17 PolarHBondContact O-N 2.92Å; L15-I17 PolarHBondContact O-N 3.36Å; I17-Q19 VanDerWaalsContact C-N 3.29Å; I17-Q19 PolarHBondContact O-N 3.28Å; I17-G20 WeakPolarHBondContact O-CA 3.41Å; I17-G20 PolarHBondContact O-N 3.18Å; I17-I23 HydrophobicContact CG1-CD1 4.21Å; I17-I23 HydrophobicContact CG1-CG1 4.13Å; I17-I23 HydrophobicContact CG2-CD1 4.13Å; I17-L48 HydrophobicContact CD1-CD2 3.98Å; I17-L48 HydrophobicContact CD1-CG 3.95Å; I17-L49 HydrophobicContact CD1-CD2 4.17Å; I17-N52 HydrophobicContact CD1-CB 4.49Å; I17-N52 HydrophobicContact CG2-CB 4.24Å
18R86.6Confident83.8Confident155 Ų15577.4 Ų77.459%0.58538%0.375SS*.Hα-helixtrans-61.8-34.6176.8-72.3177.8-179.1178.51.4113.2E14 L15 G20 P104E14-R18 VanDerWaalsContact CD-NH2 3.31Å; E14-R18 WeakPolarHBondContact O-CG 3.14Å; E14-R18 PolarHBondContact O-N 2.9Å; E14-R18 IonicContact OE1-CZ 3.25Å; E14-R18 VanDerWaalsContact OE1-CZ 3.25Å; E14-R18 IonicContact OE1-NE 3.47Å; E14-R18 PolarHBondContact OE1-NE 3.32Å; E14-R18 IonicContact OE1-NH2 2.63Å; E14-R18 PolarHBondContact OE1-NH2 3.17Å; E14-R18 IonicContact OE2-CZ 3.85Å; E14-R18 IonicContact OE2-NH2 3.6Å; L15-R18 PolarHBondContact O-N 3.35Å; R18-G20 PolarHBondContact O-N 3.15Å; R18-P104 WeakPolarHBondContact O-CG 3.47Å
19Q87.3Confident83.8Confident137 Ų13779.6 Ų79.664%0.6439%0.389SS*.THydrogen-bonded Turntrans-77.30.1174-67.4-63.2-26.500113.3L15 L16 I17L15-Q19 HydrophobicContact CD1-CG 4.38Å; L15-Q19 HydrophobicContact CG-CG 4.46Å; L15-Q19 WeakPolarHBondContact O-CB 3.24Å; L15-Q19 VanDerWaalsContact O-CG 3.24Å; L15-Q19 WeakPolarHBondContact O-CG 3.09Å; L15-Q19 PolarHBondContact O-N 2.89Å; L16-Q19 CarbonylContact O-C 3.57Å; L16-Q19 PolarHBondContact O-N 2.77Å; I17-Q19 VanDerWaalsContact C-N 3.29Å; I17-Q19 PolarHBondContact O-N 3.28Å
20G82.4Confident83.6Confident26 Ų2675.8 Ų75.827%0.26837%0.374SS..THydrogen-bonded Turntrans82.231.2176.800000115.3L16 I17 R18L16-G20 PolarHBondContact O-N 2.92Å; I17-G20 WeakPolarHBondContact O-CA 3.41Å; I17-G20 PolarHBondContact O-N 3.18Å; R18-G20 PolarHBondContact O-N 3.15Å
21A84.4Confident83.7Confident28 Ų2872.4 Ų72.423%0.23136%0.363CS..  trans-61.8136.4168.700000110.8L16 I23L16-A21 HydrophobicContact CB-CB 3.88Å; L16-A21 WeakPolarHBondContact O-CB 3.28Å; L16-A21 PolarHBondContact O-N 2.84Å; A21-I23 PolarHBondContact O-N 3.31Å; A21-I23 VanDerWaalsContact O-N 3.15Å
22D86Confident83.7Confident90 Ų9066.4 Ų66.448%0.48133%0.331SS..  trans-69.9109.8175.31797000110.8N24 R25D22-N24 VanDerWaalsContact C-N 3.29Å; D22-N24 PolarHBondContact O-N 3.35Å; D22-N24 PolarHBondContact OD1-N 3.06Å; D22-R25 HydrophobicContact CB-CB 3.98Å; D22-R25 WeakPolarHBondContact O-CB 3.41Å; D22-R25 PolarHBondContact O-N 2.84Å; D22-R25 PolarHBondContact OD1-N 3.3Å; D22-R25 WeakPolarHBondContact OD2-CB 3.49Å
23I85.1Confident83.7Confident17 Ų1762.5 Ų62.59%0.08731%0.31CS..THydrogen-bonded Turntrans-67.5-30.6-177.5-57.8175.1000111.3I17 A21 P33 L49 N52 A54I17-I23 HydrophobicContact CG1-CD1 4.21Å; I17-I23 HydrophobicContact CG1-CG1 4.13Å; I17-I23 HydrophobicContact CG2-CD1 4.13Å; A21-I23 PolarHBondContact O-N 3.31Å; A21-I23 VanDerWaalsContact O-N 3.15Å; I23-P33 WeakPolarHBondContact O-CD 3.19Å; I23-P33 WeakPolarHBondContact O-CG 3.34Å; I23-L49 HydrophobicContact CG2-CD2 3.87Å; I23-N52 HydrophobicContact CD1-CB 3.56Å; I23-N52 WeakPolarHBondContact CD1-O 3.48Å; I23-A54 HydrophobicContact CG2-CB 3.6Å
24N83Confident83.7Confident63 Ų6362.5 Ų62.534%0.33731%0.311SS..THydrogen-bonded Turntrans-97.85-175.5-66.9-38.9000112.7D22 K26 D55D22-N24 VanDerWaalsContact C-N 3.29Å; D22-N24 PolarHBondContact O-N 3.35Å; D22-N24 PolarHBondContact OD1-N 3.06Å; N24-K26 PolarHBondContact O-N 3.32Å; N24-D55 PolarHBondContact OD1-N 3.25Å
25R84.7Confident83.4Confident139 Ų13960.1 Ų60.153%0.52530%0.299SS..PPolyproline II helixtrans-61.9124.6-178.8-163.4174.474.2-176.13.6111.1H2 D22 P33H2-R25 PolarHBondContact CE1-O 3.19Å; H2-R25 PolarHBondContact NE2-O 3.32Å; D22-R25 HydrophobicContact CB-CB 3.98Å; D22-R25 WeakPolarHBondContact O-CB 3.41Å; D22-R25 PolarHBondContact O-N 2.84Å; D22-R25 PolarHBondContact OD1-N 3.3Å; D22-R25 WeakPolarHBondContact OD2-CB 3.49Å; R25-P33 WeakPolarHBondContact O-CD 3.22Å
26K83.8Confident83.3Confident124 Ų12456.4 Ų56.454%0.53928%0.28SS..PPolyproline II helixtrans-75.2138.4174.5-67.6-176.8175.1-176.70111.6N24 T31 T32 V58N24-K26 PolarHBondContact O-N 3.32Å; K26-T31 CarbonylContact C-O 3.59Å; K26-T31 WeakPolarHBondContact CA-O 3.31Å; K26-T32 HydrophobicContact CG-CG2 4.43Å; K26-V58 HydrophobicContact CD-CG1 4.49Å
27S81.1Confident83.1Confident43 Ų4353.8 Ų53.830%0.30127%0.266SS..PPolyproline II helixtrans-70.9173.4168.1-176.70000110.7H2 S29 G30 T31H2-S27 PolarHBondContact NE2-N 2.98Å; S27-S29 WeakPolarHBondContact CB-OG 3.34Å; S27-S29 PolarHBondContact O-N 3.35Å; S27-S29 PolarHBondContact OG-OG 3.12Å; S27-G30 WeakPolarHBondContact O-CA 3.44Å; S27-G30 PolarHBondContact O-N 3.35Å; S27-T31 PolarHBondContact N-O 3.45Å
28K77.9Confident82.6Confident194 Ų19453 Ų5384%0.84326%0.262SS*.THydrogen-bonded Turntrans-56.6-33.3170-65.1-178.6-178176.60111.6G30 R61K28-G30 PolarHBondContact O-N 2.94Å; K28-R61 VanDerWaalsContact O-CZ 3.23Å; K28-R61 PolarHBondContact O-NE 3.45Å; K28-R61 PolarHBondContact O-NH2 3.16Å
29S75.2Confident82.1Confident52 Ų5248.6 Ų48.636%0.36425%0.25SC..THydrogen-bonded Turntrans-74.8-2.7173.451.80000114S27 T31 R61S27-S29 WeakPolarHBondContact CB-OG 3.34Å; S27-S29 PolarHBondContact O-N 3.35Å; S27-S29 PolarHBondContact OG-OG 3.12Å; S29-T31 PolarHBondContact O-N 3.47Å; S29-T31 PolarHBondContact OG-OG1 3.37Å; S29-R61 VanDerWaalsContact C-NE 3.3Å; S29-R61 WeakPolarHBondContact O-CD 3.26Å; S29-R61 WeakPolarHBondContact O-CG 3.28Å; S29-R61 PolarHBondContact O-NE 3.33Å
30G78.8Confident81.4Confident11 Ų1143.2 Ų43.211%0.11323%0.225CC..SBendtrans76.13.3-174.300000114.3S27 K28S27-G30 WeakPolarHBondContact O-CA 3.44Å; S27-G30 PolarHBondContact O-N 3.35Å; K28-G30 PolarHBondContact O-N 2.94Å
31T82.8Confident80.9Confident12 Ų1243 Ų437%0.07422%0.218CC..  trans-77.9146.5176.760.10000111.4H2 K26 S27 S29 I35 D36 D60H2-T31 PolarHBondContact NE2-O 3.08Å; K26-T31 CarbonylContact C-O 3.59Å; K26-T31 WeakPolarHBondContact CA-O 3.31Å; S27-T31 PolarHBondContact N-O 3.45Å; S29-T31 PolarHBondContact O-N 3.47Å; S29-T31 PolarHBondContact OG-OG1 3.37Å; T31-I35 HydrophobicContact CG2-CG2 4.15Å; T31-D36 VanDerWaalsContact CB-OD1 3.26Å; T31-D36 WeakPolarHBondContact CB-OD1 3.29Å; T31-D36 PolarHBondContact OG1-OD1 2.8Å; T31-D60 HydrophobicContact CG2-CB 3.82Å
32T85.7Confident80.5Confident1 Ų141.8 Ų41.81%0.00621%0.207CC..  trans-91.1158168.755.30000109.8K26 L34 I35 D36 V58K26-T32 HydrophobicContact CG-CG2 4.43Å; T32-L34 PolarHBondContact O-N 3.36Å; T32-L34 VanDerWaalsContact O-N 3.14Å; T32-I35 PolarHBondContact O-N 2.95Å; T32-I35 WeakPolarHBondContact OG1-CG1 3.4Å; T32-I35 PolarHBondContact OG1-N 2.87Å; T32-D36 PolarHBondContact O-N 3.16Å; T32-V58 HydrophobicContact CG2-CB 3.73Å; T32-V58 HydrophobicContact CG2-CG1 3.5Å; T32-V58 HydrophobicContact CG2-CG2 4.04Å
33P84.5Confident79.9Confident0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-52.8-33.6173.1-25.434.3000112.9M1 C5 I23 R25 D36 A37 L49M1-P33 HydrophobicContact CB-CG 4.35Å; M1-P33 HydrophobicContact CE-CB 4.49Å; M1-P33 HydrophobicContact CG-CB 3.89Å; M1-P33 HydrophobicContact CG-CG 3.68Å; C5-P33 HydrophobicContact CB-CB 4.2Å; C5-P33 WeakPolarHBondContact CB-O 3.46Å; I23-P33 WeakPolarHBondContact O-CD 3.19Å; I23-P33 WeakPolarHBondContact O-CG 3.34Å; R25-P33 WeakPolarHBondContact O-CD 3.22Å; P33-D36 PolarHBondContact O-N 2.81Å; P33-A37 PolarHBondContact O-N 3.02Å; P33-L49 HydrophobicContact CB-CD1 4.41Å; P33-L49 HydrophobicContact CB-CD2 4.5Å
34L84.3Confident79.6Confident1 Ų144 Ų441%0.00522%0.218CC..Hα-helixtrans-63.3-47.8174.2-176.366.3000111.9T32 D36 A37 V38 I46 L49 L50 A54 V56 A66T32-L34 PolarHBondContact O-N 3.36Å; T32-L34 VanDerWaalsContact O-N 3.14Å; L34-D36 VanDerWaalsContact C-N 3.3Å; L34-D36 PolarHBondContact O-N 3.32Å; L34-A37 PolarHBondContact O-N 3.27Å; L34-V38 HydrophobicContact CD1-CG2 4.33Å; L34-V38 HydrophobicContact CG-CG2 4.37Å; L34-V38 WeakPolarHBondContact O-CB 3.41Å; L34-V38 WeakPolarHBondContact O-CG2 3.28Å; L34-V38 PolarHBondContact O-N 3.29Å; L34-I46 HydrophobicContact CD1-CG2 4.12Å; L34-L49 HydrophobicContact CB-CD1 4.27Å; L34-L49 HydrophobicContact CD1-CB 3.98Å; L34-L49 HydrophobicContact CD1-CD1 4.16Å; L34-L50 HydrophobicContact CD1-CD2 4.28Å; L34-L50 HydrophobicContact CD1-CG 4.18Å; L34-L50 HydrophobicContact CD2-CD2 4.08Å; L34-A54 HydrophobicContact CB-CB 4.28Å; L34-A54 HydrophobicContact CD2-CB 4.13Å; L34-V56 HydrophobicContact CD2-CB 4.46Å; L34-V56 HydrophobicContact CD2-CG1 3.82Å; L34-A66 HydrophobicContact CD2-CB 3.58Å; L34-A66 HydrophobicContact CG-CB 3.94Å
35I81.6Confident79.6Confident1 Ų141 Ų411%0.00520%0.202CC..Hα-helixtrans-60.3-42.7176.6-66.5168.9000110.6T31 T32 A37 V38 I39 D60 A66T31-I35 HydrophobicContact CG2-CG2 4.15Å; T32-I35 PolarHBondContact O-N 2.95Å; T32-I35 WeakPolarHBondContact OG1-CG1 3.4Å; T32-I35 PolarHBondContact OG1-N 2.87Å; I35-A37 VanDerWaalsContact C-N 3.34Å; I35-A37 PolarHBondContact O-N 2.86Å; I35-V38 PolarHBondContact O-N 3.36Å; I35-I39 HydrophobicContact CG2-CD1 3.6Å; I35-I39 HydrophobicContact CG2-CG1 4.2Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 3.25Å; I35-D60 HydrophobicContact CD1-CB 4.18Å; I35-A66 HydrophobicContact CG1-CB 4.36Å
36D81.7Confident79.5Confident18 Ų1834.7 Ų34.710%0.09618%0.179CC..Hα-helixtrans-62.6-39.5178.7-64.6-16.9000112.2H2 N6 T31 T32 P33 L34 N40H2-D36 WeakPolarHBondContact CB-OD2 3.48Å; H2-D36 IonicContact CD2-OD2 3.47Å; H2-D36 PolarHBondContact CD2-OD2 3.41Å; H2-D36 IonicContact CG-OD2 3.34Å; N6-D36 HydrophobicContact CB-CB 4.36Å; T31-D36 VanDerWaalsContact CB-OD1 3.26Å; T31-D36 WeakPolarHBondContact CB-OD1 3.29Å; T31-D36 PolarHBondContact OG1-OD1 2.8Å; T32-D36 PolarHBondContact O-N 3.16Å; P33-D36 PolarHBondContact O-N 2.81Å; L34-D36 VanDerWaalsContact C-N 3.3Å; L34-D36 PolarHBondContact O-N 3.32Å; D36-N40 PolarHBondContact O-ND2 2.93Å
37A80.8Confident79.3Confident0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-68.3-39.2175.600000111.9C5 P33 L34 I35 N40 D41 H42 V45 I46 L49C5-A37 HydrophobicContact CB-CB 4.21Å; C5-A37 WeakPolarHBondContact O-CA 3.49Å; P33-A37 PolarHBondContact O-N 3.02Å; L34-A37 PolarHBondContact O-N 3.27Å; I35-A37 VanDerWaalsContact C-N 3.34Å; I35-A37 PolarHBondContact O-N 2.86Å; A37-N40 CarbonylContact O-C 3.6Å; A37-N40 PolarHBondContact O-N 2.88Å; A37-D41 PolarHBondContact O-N 3.08Å; A37-D41 VanDerWaalsContact O-N 3.13Å; A37-H42 PolarHBondContact O-N 2.63Å; A37-V45 HydrophobicContact CB-CB 4.32Å; A37-V45 HydrophobicContact CB-CG1 3.98Å; A37-I46 HydrophobicContact CB-CG1 3.78Å; A37-L49 HydrophobicContact CB-CD1 4.12Å
38V78Confident79.5Confident0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-68.1-41.5179.8171.60000112.4L34 I35 N40 D41 I46 H69 V72 C228L34-V38 HydrophobicContact CD1-CG2 4.33Å; L34-V38 HydrophobicContact CG-CG2 4.37Å; L34-V38 WeakPolarHBondContact O-CB 3.41Å; L34-V38 WeakPolarHBondContact O-CG2 3.28Å; L34-V38 PolarHBondContact O-N 3.29Å; I35-V38 PolarHBondContact O-N 3.36Å; V38-N40 PolarHBondContact O-N 3.25Å; V38-D41 PolarHBondContact O-N 2.85Å; V38-I46 HydrophobicContact CB-CD1 4.34Å; V38-I46 HydrophobicContact CG2-CD1 3.8Å; V38-I46 HydrophobicContact CG2-CG1 3.84Å; V38-I46 HydrophobicContact CG2-CG2 4.4Å; V38-H69 HydrophobicContact CG1-CB 3.21Å; V38-H69 VanDerWaalsContact CG1-CD2 3.45Å; V38-H69 WeakPolarHBondContact CG1-CD2 3.41Å; V38-V72 HydrophobicContact CB-CG2 4.37Å; V38-V72 HydrophobicContact CG1-CG2 3.99Å; V38-V72 HydrophobicContact CG2-CG2 3.33Å; V38-C228 PolarHBondContact O-SG 3.1Å
39I74.8Confident79.8Confident64 Ų6421.9 Ų21.933%0.32812%0.12SC..Hα-helixtrans-61.6-24.3177.6-72.5169000112I35 C228I35-I39 HydrophobicContact CG2-CD1 3.6Å; I35-I39 HydrophobicContact CG2-CG1 4.2Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 3.25Å; I39-C228 PolarHBondContact O-SG 2.95Å
40N72.3Confident80.2Confident23 Ų2320.6 Ų20.612%0.12311%0.108CC..THydrogen-bonded Turntrans-107.46.2-179.8-66.1-66.8000114.1N6 D36 A37 V38 H42N6-N40 PolarHBondContact O-ND2 2.77Å; N6-N40 PolarHBondContact OD1-ND2 3.46Å; D36-N40 PolarHBondContact O-ND2 2.93Å; A37-N40 CarbonylContact O-C 3.6Å; A37-N40 PolarHBondContact O-N 2.88Å; V38-N40 PolarHBondContact O-N 3.25Å; N40-H42 VanDerWaalsContact C-N 3.31Å; N40-H42 VanDerWaalsContact CB-CD2 3.46Å; N40-H42 WeakPolarHBondContact CB-CD2 3.13Å; N40-H42 VanDerWaalsContact CB-NE2 3.33Å; N40-H42 WeakPolarHBondContact CB-NE2 3.24Å; N40-H42 PolarHBondContact O-N 3.47Å
41D72.5Confident80.5Confident23 Ų2324.8 Ų24.812%0.12313%0.125CC..THydrogen-bonded Turntrans55.835.8-179.4-83.9-12000115A37 V38 I43 C71 C227 C228 I231A37-D41 PolarHBondContact O-N 3.08Å; A37-D41 VanDerWaalsContact O-N 3.13Å; V38-D41 PolarHBondContact O-N 2.85Å; D41-I43 VanDerWaalsContact C-N 3.32Å; D41-I43 PolarHBondContact O-N 3.47Å; D41-C71 PolarHBondContact OD1-SG 3.45Å; D41-C227 PolarHBondContact OD2-N 3.34Å; D41-C228 HydrophobicContact CB-CB 4.4Å; D41-C228 VanDerWaalsContact CG-CB 3.46Å; D41-C228 PolarHBondContact OD1-N 3.28Å; D41-C228 PolarHBondContact OD1-SG 2.71Å; D41-C228 WeakPolarHBondContact OD2-CA 3.05Å; D41-C228 WeakPolarHBondContact OD2-CB 3.08Å; D41-C228 PolarHBondContact OD2-N 3.05Å; D41-I231 HydrophobicContact CB-CD1 3.72Å
42H75.3Confident80.5Confident1 Ų125.7 Ų25.71%0.00513%0.13CC..  trans-81.778.3175.9-61.8-46.4000111C5 N6 G8 A37 N40 D44 V45 I46 S196C5-H42 PolarHBondContact O-CD2 3.36Å; N6-H42 PolarHBondContact O-CD2 2.82Å; N6-H42 PolarHBondContact O-NE2 2.97Å; G8-H42 VanDerWaalsContact CA-CD2 3.42Å; G8-H42 WeakPolarHBondContact CA-CD2 3.45Å; G8-H42 VanDerWaalsContact CA-CG 3.45Å; G8-H42 PolarHBondContact N-CD2 3.27Å; G8-H42 VanDerWaalsContact N-CD2 3.3Å; G8-H42 PolarHBondContact N-NE2 3.06Å; A37-H42 PolarHBondContact O-N 2.63Å; N40-H42 VanDerWaalsContact C-N 3.31Å; N40-H42 VanDerWaalsContact CB-CD2 3.46Å; N40-H42 WeakPolarHBondContact CB-CD2 3.13Å; N40-H42 VanDerWaalsContact CB-NE2 3.33Å; N40-H42 WeakPolarHBondContact CB-NE2 3.24Å; N40-H42 PolarHBondContact O-N 3.47Å; H42-D44 VanDerWaalsContact C-N 3.29Å; H42-D44 PolarHBondContact O-N 3.26Å; H42-V45 HydrophobicContact CB-CB 4.07Å; H42-V45 HydrophobicContact CB-CG2 4.19Å; H42-V45 PolarHBondContact O-N 3.41Å; H42-V45 VanDerWaalsContact O-N 3.14Å; H42-I46 WeakPolarHBondContact O-CD1 3.38Å; H42-I46 WeakPolarHBondContact O-CG1 3.46Å; H42-I46 PolarHBondContact O-N 2.91Å; H42-S196 VanDerWaalsContact ND1-CB 3.34Å; H42-S196 WeakPolarHBondContact ND1-CB 3.32Å
43I73.5Confident80.3Confident103 Ų10326 Ų2653%0.52813%0.133SC..Hα-helixtrans-55.9-42-171.7-58.4176000112.4D41 I46 Q47D41-I43 VanDerWaalsContact C-N 3.32Å; D41-I43 PolarHBondContact O-N 3.47Å; I43-I46 PolarHBondContact O-N 3.34Å; I43-Q47 WeakPolarHBondContact O-CB 3.35Å; I43-Q47 PolarHBondContact O-N 3.5Å
44D79.6Confident80.2Confident51 Ų5126.3 Ų26.327%0.27314%0.135SC..Hα-helixtrans-59.3-47.1176.356.2-20.2000112.4Y10 H42 L48Y10-D44 HydrophobicContact CD2-CB 4.08Å; H42-D44 VanDerWaalsContact C-N 3.29Å; H42-D44 PolarHBondContact O-N 3.26Å; D44-L48 PolarHBondContact O-N 3.3Å
45V83Confident80Confident0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-70-39.7176.5-1790000111.2C5 A13 A37 H42 Q47 L48 L49C5-V45 HydrophobicContact CB-CG1 4.19Å; A13-V45 HydrophobicContact CB-CG1 4.28Å; A37-V45 HydrophobicContact CB-CB 4.32Å; A37-V45 HydrophobicContact CB-CG1 3.98Å; H42-V45 HydrophobicContact CB-CB 4.07Å; H42-V45 HydrophobicContact CB-CG2 4.19Å; H42-V45 PolarHBondContact O-N 3.41Å; H42-V45 VanDerWaalsContact O-N 3.14Å; V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.05Å; V45-L48 PolarHBondContact O-N 2.93Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.25Å; V45-L49 WeakPolarHBondContact O-CB 3.16Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.28Å
46I81.8Confident79.8Confident7 Ų729.1 Ų29.14%0.03615%0.151CC..Hα-helixtrans-58.8-47.2176.2-67.5162.6000109.9L34 A37 V38 H42 I43 L49 L50 C71L34-I46 HydrophobicContact CD1-CG2 4.12Å; A37-I46 HydrophobicContact CB-CG1 3.78Å; V38-I46 HydrophobicContact CB-CD1 4.34Å; V38-I46 HydrophobicContact CG2-CD1 3.8Å; V38-I46 HydrophobicContact CG2-CG1 3.84Å; V38-I46 HydrophobicContact CG2-CG2 4.4Å; H42-I46 WeakPolarHBondContact O-CD1 3.38Å; H42-I46 WeakPolarHBondContact O-CG1 3.46Å; H42-I46 PolarHBondContact O-N 2.91Å; I43-I46 PolarHBondContact O-N 3.34Å; I46-L49 PolarHBondContact O-N 2.96Å; I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 HydrophobicContact CG2-CG 4.37Å; I46-L50 WeakPolarHBondContact O-CB 3.16Å; I46-L50 VanDerWaalsContact O-CG 3.28Å; I46-L50 WeakPolarHBondContact O-CG 3.19Å; I46-L50 PolarHBondContact O-N 2.91Å; I46-C71 HydrophobicContact CD1-CB 4.47Å
47Q81Confident79.4Confident84 Ų8433.1 Ų33.139%0.39317%0.172SC..Hα-helixtrans-60.1-49.2177.4171.416114.500111.3I43 V45 L49 L50 E51 F75I43-Q47 WeakPolarHBondContact O-CB 3.35Å; I43-Q47 PolarHBondContact O-N 3.5Å; V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.05Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 3.34Å; Q47-L50 PolarHBondContact O-N 3.21Å; Q47-E51 HydrophobicContact CG-CG 4.3Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.44Å; Q47-E51 PolarHBondContact NE2-OE1 2.88Å; Q47-E51 WeakPolarHBondContact O-CB 3.47Å; Q47-E51 VanDerWaalsContact O-CG 3.3Å; Q47-E51 WeakPolarHBondContact O-CG 3.46Å; Q47-E51 PolarHBondContact O-N 3.09Å; Q47-F75 HydrophobicContact CB-CD2 4.48Å; Q47-F75 HydrophobicContact CB-CE2 4.04Å; Q47-F75 HydrophobicContact CG-CE2 3.8Å
48L84.4Confident79.2Confident8 Ų834 Ų344%0.04218%0.177CC..Hα-helixtrans-55.8-43.1176.3-179.970.5000112.1Y10 A13 E14 I17 D44 V45 N52Y10-L48 HydrophobicContact CD2-CB 4.39Å; Y10-L48 HydrophobicContact CD2-CD2 4.17Å; Y10-L48 HydrophobicContact CE2-CB 3.87Å; Y10-L48 HydrophobicContact CE2-CD1 4.22Å; Y10-L48 HydrophobicContact CE2-CD2 4Å; Y10-L48 HydrophobicContact CE2-CG 4.25Å; A13-L48 HydrophobicContact CB-CD2 4.01Å; E14-L48 HydrophobicContact CB-CD1 4.48Å; E14-L48 HydrophobicContact CB-CD2 3.89Å; E14-L48 HydrophobicContact CG-CD1 4.3Å; I17-L48 HydrophobicContact CD1-CD2 3.98Å; I17-L48 HydrophobicContact CD1-CG 3.95Å; D44-L48 PolarHBondContact O-N 3.3Å; V45-L48 PolarHBondContact O-N 2.93Å; L48-N52 WeakPolarHBondContact O-CB 3.49Å; L48-N52 PolarHBondContact O-N 3.46Å; L48-N52 VanDerWaalsContact O-N 3.17Å; L48-N52 PolarHBondContact O-ND2 3.42Å
49L85.2Confident79.1Confident0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-67.4-43179.6-69.5171.6000112M1 I17 I23 P33 L34 A37 V45 I46 Q47 N52 G53 A54M1-L49 HydrophobicContact CE-CD2 3.39Å; I17-L49 HydrophobicContact CD1-CD2 4.17Å; I23-L49 HydrophobicContact CG2-CD2 3.87Å; P33-L49 HydrophobicContact CB-CD1 4.41Å; P33-L49 HydrophobicContact CB-CD2 4.5Å; L34-L49 HydrophobicContact CB-CD1 4.27Å; L34-L49 HydrophobicContact CD1-CB 3.98Å; L34-L49 HydrophobicContact CD1-CD1 4.16Å; A37-L49 HydrophobicContact CB-CD1 4.12Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.25Å; V45-L49 WeakPolarHBondContact O-CB 3.16Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.28Å; I46-L49 PolarHBondContact O-N 2.96Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 3.34Å; L49-N52 CarbonylContact O-C 3.55Å; L49-N52 PolarHBondContact O-N 3.36Å; L49-G53 PolarHBondContact O-N 2.95Å; L49-A54 HydrophobicContact CB-CB 3.9Å; L49-A54 WeakPolarHBondContact O-CB 3.32Å; L49-A54 PolarHBondContact O-N 2.82Å
50L82.9Confident78.9Confident24 Ų2437.8 Ų37.813%0.12619%0.192CC..Hα-helixtrans-66.2-42178.8-70.3170000111.7L34 I46 Q47 N52 G53 V56 F75L34-L50 HydrophobicContact CD1-CD2 4.28Å; L34-L50 HydrophobicContact CD1-CG 4.18Å; L34-L50 HydrophobicContact CD2-CD2 4.08Å; I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 HydrophobicContact CG2-CG 4.37Å; I46-L50 WeakPolarHBondContact O-CB 3.16Å; I46-L50 VanDerWaalsContact O-CG 3.28Å; I46-L50 WeakPolarHBondContact O-CG 3.19Å; I46-L50 PolarHBondContact O-N 2.91Å; Q47-L50 PolarHBondContact O-N 3.21Å; L50-N52 PolarHBondContact O-N 2.84Å; L50-G53 PolarHBondContact O-N 2.95Å; L50-V56 HydrophobicContact CD2-CG1 3.37Å; L50-F75 HydrophobicContact CB-CD1 4.21Å; L50-F75 HydrophobicContact CB-CE1 3.78Å; L50-F75 HydrophobicContact CB-CZ 3.98Å; L50-F75 HydrophobicContact CD1-CB 3.85Å; L50-F75 HydrophobicContact CD1-CD1 3.43Å; L50-F75 VanDerWaalsContact CD1-CD1 3.43Å; L50-F75 HydrophobicContact CD1-CD2 3.99Å; L50-F75 HydrophobicContact CD1-CE1 3.89Å; L50-F75 HydrophobicContact CD1-CE2 4.42Å; L50-F75 HydrophobicContact CD1-CG 3.46Å; L50-F75 VanDerWaalsContact CD1-CG 3.46Å; L50-F75 HydrophobicContact CD1-CZ 4.36Å; L50-F75 HydrophobicContact CG-CD1 4.37Å; L50-F75 HydrophobicContact CG-CE1 4.43Å
51E84.1Confident78.8Confident100 Ų10045.6 Ų45.647%0.46722%0.22SC..Hα-helixtrans-61.8-32.8175.4-73.8173.4-176.200112.4Q47 G53 F75Q47-E51 HydrophobicContact CG-CG 4.3Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.44Å; Q47-E51 PolarHBondContact NE2-OE1 2.88Å; Q47-E51 WeakPolarHBondContact O-CB 3.47Å; Q47-E51 VanDerWaalsContact O-CG 3.3Å; Q47-E51 WeakPolarHBondContact O-CG 3.46Å; Q47-E51 PolarHBondContact O-N 3.09Å; E51-G53 VanDerWaalsContact C-N 3.3Å; E51-F75 HydrophobicContact CG-CZ 4.48Å
52N83.6Confident78.5Confident31 Ų3152 Ų5217%0.16625%0.249CC..THydrogen-bonded Turntrans-88.810.7176-71.9-70000113.9I17 I23 L48 L49 L50I17-N52 HydrophobicContact CD1-CB 4.49Å; I17-N52 HydrophobicContact CG2-CB 4.24Å; I23-N52 HydrophobicContact CD1-CB 3.56Å; I23-N52 WeakPolarHBondContact CD1-O 3.48Å; L48-N52 WeakPolarHBondContact O-CB 3.49Å; L48-N52 PolarHBondContact O-N 3.46Å; L48-N52 VanDerWaalsContact O-N 3.17Å; L48-N52 PolarHBondContact O-ND2 3.42Å; L49-N52 CarbonylContact O-C 3.55Å; L49-N52 PolarHBondContact O-N 3.36Å; L50-N52 PolarHBondContact O-N 2.84Å
53G81.1Confident78.1Confident7 Ų754 Ų547%0.07227%0.27CS..THydrogen-bonded Turntrans81.631.9172.400000115.4L49 L50 E51 I97L49-G53 PolarHBondContact O-N 2.95Å; L50-G53 PolarHBondContact O-N 2.95Å; E51-G53 VanDerWaalsContact C-N 3.3Å; G53-I97 WeakPolarHBondContact O-CG2 3.34Å
54A83.2Confident78Confident7 Ų752.9 Ų52.96%0.05826%0.262CS..  trans-60.1135.2170.500000111.7I23 L34 L49 V56I23-A54 HydrophobicContact CG2-CB 3.6Å; L34-A54 HydrophobicContact CB-CB 4.28Å; L34-A54 HydrophobicContact CD2-CB 4.13Å; L49-A54 HydrophobicContact CB-CB 3.9Å; L49-A54 WeakPolarHBondContact O-CB 3.32Å; L49-A54 PolarHBondContact O-N 2.82Å; A54-V56 PolarHBondContact O-N 3.16Å
55D80.7Confident77.6Confident51 Ų5151 Ų5127%0.27325%0.253SS..  trans-76.1116.1179.2-175.10.2000110.9N24 N57 V58N24-D55 PolarHBondContact OD1-N 3.25Å; D55-N57 WeakPolarHBondContact OD1-CB 3.15Å; D55-N57 PolarHBondContact OD1-N 3.29Å; D55-V58 HydrophobicContact CB-CG2 3.77Å; D55-V58 VanDerWaalsContact OD2-CG2 3.28Å; D55-V58 WeakPolarHBondContact OD2-CG2 3.12Å
56V75.5Confident77Confident10 Ų1051 Ų516%0.06125%0.253CS..SBendtrans-81.1-18.7-179.4-62.50000113.5L34 L50 A54 V58 L67 V72 F76 I95L34-V56 HydrophobicContact CD2-CB 4.46Å; L34-V56 HydrophobicContact CD2-CG1 3.82Å; L50-V56 HydrophobicContact CD2-CG1 3.37Å; A54-V56 PolarHBondContact O-N 3.16Å; V56-V58 VanDerWaalsContact C-N 3.34Å; V56-L67 HydrophobicContact CB-CD2 4.05Å; V56-L67 HydrophobicContact CB-CG 4.02Å; V56-L67 HydrophobicContact CG2-CD1 4.14Å; V56-L67 HydrophobicContact CG2-CD2 4.08Å; V56-L67 HydrophobicContact CG2-CG 4.11Å; V56-V72 HydrophobicContact CG1-CG1 4.48Å; V56-F76 HydrophobicContact CG1-CE2 4.32Å; V56-F76 HydrophobicContact CG1-CZ 4.05Å; V56-F76 HydrophobicContact CG2-CZ 4.26Å; V56-I95 HydrophobicContact CG2-CD1 4.11Å
57N73.9Confident76.4Confident101 Ų10153.2 Ų53.254%0.5427%0.265SS..SBendtrans-86.3-8.6-174.8-73.4-29.8000113D55 K59 L67D55-N57 WeakPolarHBondContact OD1-CB 3.15Å; D55-N57 PolarHBondContact OD1-N 3.29Å; N57-K59 PolarHBondContact O-N 3.34Å; N57-L67 WeakPolarHBondContact OD1-CD1 3.49Å
58V77.5Confident75.8Confident18 Ų1853.2 Ų53.211%0.10927%0.27CS..  trans-65.9129.8178.4-172.70000110K26 T32 D55 V56 S65K26-V58 HydrophobicContact CD-CG1 4.49Å; T32-V58 HydrophobicContact CG2-CB 3.73Å; T32-V58 HydrophobicContact CG2-CG1 3.5Å; T32-V58 HydrophobicContact CG2-CG2 4.04Å; D55-V58 HydrophobicContact CB-CG2 3.77Å; D55-V58 VanDerWaalsContact OD2-CG2 3.28Å; D55-V58 WeakPolarHBondContact OD2-CG2 3.12Å; V56-V58 VanDerWaalsContact C-N 3.34Å; V58-S65 WeakPolarHBondContact O-CA 3.44Å
59K75.5Confident74.9Confident130 Ų13054 Ų5457%0.56527%0.274SS*.BIsolated β-bridgetrans-100.4141173.1-67.3175.5-175.8177.20110.9N57 Q64N57-K59 PolarHBondContact O-N 3.34Å; K59-Q64 CarbonylContact C-O 3.56Å; K59-Q64 VanDerWaalsContact CA-O 3.29Å; K59-Q64 WeakPolarHBondContact CA-O 3.39Å
60D71Confident73.8Confident14 Ų1456.5 Ų56.58%0.07529%0.29CS..  trans-74.8-176.6169.477.2-6.4000111.9T31 I35 H62 G63 Q64T31-D60 HydrophobicContact CG2-CB 3.82Å; I35-D60 HydrophobicContact CD1-CB 4.18Å; D60-H62 PolarHBondContact O-N 3.42Å; D60-H62 VanDerWaalsContact OD1-C 3.28Å; D60-H62 VanDerWaalsContact OD1-CA 3.28Å; D60-H62 WeakPolarHBondContact OD1-CA 3.37Å; D60-H62 WeakPolarHBondContact OD1-CB 3.45Å; D60-H62 PolarHBondContact OD1-N 3.49Å; D60-H62 IonicContact OD2-CD2 2.86Å; D60-H62 PolarHBondContact OD2-CD2 3.22Å; D60-H62 IonicContact OD2-CG 3.89Å; D60-G63 PolarHBondContact O-N 3.41Å; D60-G63 VanDerWaalsContact O-N 3.08Å; D60-G63 PolarHBondContact OD1-N 3.04Å; D60-Q64 PolarHBondContact N-O 3.26Å; D60-Q64 PolarHBondContact OD1-N 2.99Å
61R69.3Low72.8Confident187 Ų18755.9 Ų55.971%0.70629%0.288SS*.THydrogen-bonded Turntrans-65.2-20176.7-74.1173.2-172.7-101.11.9113.8K28 S29 G63K28-R61 VanDerWaalsContact O-CZ 3.23Å; K28-R61 PolarHBondContact O-NE 3.45Å; K28-R61 PolarHBondContact O-NH2 3.16Å; S29-R61 VanDerWaalsContact C-NE 3.3Å; S29-R61 WeakPolarHBondContact O-CD 3.26Å; S29-R61 WeakPolarHBondContact O-CG 3.28Å; S29-R61 PolarHBondContact O-NE 3.33Å; R61-G63 VanDerWaalsContact C-N 3.29Å
62H67.1Low71.9Confident158 Ų15851.1 Ų51.173%0.73127%0.265SS*.THydrogen-bonded Turntrans-88.40.4176-57.6-66000112.2D60 Q64D60-H62 PolarHBondContact O-N 3.42Å; D60-H62 VanDerWaalsContact OD1-C 3.28Å; D60-H62 VanDerWaalsContact OD1-CA 3.28Å; D60-H62 WeakPolarHBondContact OD1-CA 3.37Å; D60-H62 WeakPolarHBondContact OD1-CB 3.45Å; D60-H62 PolarHBondContact OD1-N 3.49Å; D60-H62 IonicContact OD2-CD2 2.86Å; D60-H62 PolarHBondContact OD2-CD2 3.22Å; D60-H62 IonicContact OD2-CG 3.89Å; H62-Q64 HydrophobicContact CB-CG 4.21Å; H62-Q64 PolarHBondContact O-N 2.94Å
63G67.3Low70.9Confident43 Ų4357.5 Ų57.544%0.44329%0.287SS..SBendtrans76.69.1-176.500000113.6D60 R61D60-G63 PolarHBondContact O-N 3.41Å; D60-G63 VanDerWaalsContact O-N 3.08Å; D60-G63 PolarHBondContact OD1-N 3.04Å; R61-G63 VanDerWaalsContact C-N 3.29Å
64Q69.8Low69.9Low80 Ų8061 Ų6137%0.37430%0.301SS..  trans-82.4128.7177-60.3-168.4-31.400109.6K59 D60 H62K59-Q64 CarbonylContact C-O 3.56Å; K59-Q64 VanDerWaalsContact CA-O 3.29Å; K59-Q64 WeakPolarHBondContact CA-O 3.39Å; D60-Q64 PolarHBondContact N-O 3.26Å; D60-Q64 PolarHBondContact OD1-N 2.99Å; H62-Q64 HydrophobicContact CB-CG 4.21Å; H62-Q64 PolarHBondContact O-N 2.94Å
65S72Confident68.8Low12 Ų1262.8 Ų62.88%0.08431%0.308CS..BIsolated β-bridgetrans-102.4162.3172.661.80000110.4V58 L67 T68V58-S65 WeakPolarHBondContact O-CA 3.44Å; S65-L67 PolarHBondContact O-N 3.27Å; S65-T68 PolarHBondContact N-OG1 3.39Å; S65-T68 VanDerWaalsContact N-OG1 3.1Å; S65-T68 WeakPolarHBondContact O-CB 3.27Å; S65-T68 PolarHBondContact O-N 2.91Å; S65-T68 PolarHBondContact O-OG1 3.14Å; S65-T68 PolarHBondContact OG-N 2.81Å; S65-T68 PolarHBondContact OG-OG1 3Å
66A71.1Confident67.6Low0 Ų063.1 Ų63.10%031%0.307CS..G310 helixtrans-55-39.1172.100000111.1L34 I35 T68 H69 V72L34-A66 HydrophobicContact CD2-CB 3.58Å; L34-A66 HydrophobicContact CG-CB 3.94Å; I35-A66 HydrophobicContact CG1-CB 4.36Å; A66-T68 PolarHBondContact O-N 2.98Å; A66-H69 PolarHBondContact O-N 3.16Å; A66-H69 VanDerWaalsContact O-N 3.16Å; A66-V72 HydrophobicContact CB-CG2 4.13Å; A66-V72 WeakPolarHBondContact O-CB 3.46Å; A66-V72 WeakPolarHBondContact O-CG2 3.36Å
67L68.6Low66.5Low53 Ų5372.2 Ų72.228%0.27734%0.34SS..G310 helixtrans-64.1-22.8175.8-65.2178.2000114.7V56 N57 S65 H69 V72 F76V56-L67 HydrophobicContact CB-CD2 4.05Å; V56-L67 HydrophobicContact CB-CG 4.02Å; V56-L67 HydrophobicContact CG2-CD1 4.14Å; V56-L67 HydrophobicContact CG2-CD2 4.08Å; V56-L67 HydrophobicContact CG2-CG 4.11Å; N57-L67 WeakPolarHBondContact OD1-CD1 3.49Å; S65-L67 PolarHBondContact O-N 3.27Å; L67-H69 PolarHBondContact O-N 3.33Å; L67-V72 HydrophobicContact CD2-CG1 4.18Å; L67-F76 HydrophobicContact CD2-CD2 4.07Å; L67-F76 HydrophobicContact CD2-CE2 3.42Å; L67-F76 VanDerWaalsContact CD2-CE2 3.42Å; L67-F76 HydrophobicContact CD2-CZ 4.2Å
68T67.3Low65.3Low83 Ų8374.3 Ų74.351%0.50935%0.347SS..G310 helixtrans-66.9-25.5177.2-51.30000110.9S65 A66S65-T68 PolarHBondContact N-OG1 3.39Å; S65-T68 VanDerWaalsContact N-OG1 3.1Å; S65-T68 WeakPolarHBondContact O-CB 3.27Å; S65-T68 PolarHBondContact O-N 2.91Å; S65-T68 PolarHBondContact O-OG1 3.14Å; S65-T68 PolarHBondContact OG-N 2.81Å; S65-T68 PolarHBondContact OG-OG1 3Å; A66-T68 PolarHBondContact O-N 2.98Å
69H67.1Low63.3Low24 Ų2478.9 Ų78.911%0.11137%0.367CS..SBendtrans-90137.2180-73.5-59.2000112.5V38 A66 L67 C71 V72V38-H69 HydrophobicContact CG1-CB 3.21Å; V38-H69 VanDerWaalsContact CG1-CD2 3.45Å; V38-H69 WeakPolarHBondContact CG1-CD2 3.41Å; A66-H69 PolarHBondContact O-N 3.16Å; A66-H69 VanDerWaalsContact O-N 3.16Å; L67-H69 PolarHBondContact O-N 3.33Å; H69-C71 PolarHBondContact O-N 3.47Å; H69-C71 VanDerWaalsContact O-N 3.16Å; H69-V72 PolarHBondContact O-N 3.14Å
70P60.7Low61.4Low54 Ų5477.4 Ų77.435%0.35137%0.371SS..Hα-helixtrans-64.1-22.5-175.819.8-26.8000113.7V72 R73 Q74 C227P70-V72 VanDerWaalsContact C-N 3.34Å; P70-V72 PolarHBondContact O-N 2.97Å; P70-R73 WeakPolarHBondContact O-CB 3.5Å; P70-R73 PolarHBondContact O-N 3.07Å; P70-Q74 PolarHBondContact O-N 3.22Å; P70-C227 HydrophobicContact CB-CB 4.24Å; P70-C227 HydrophobicContact CG-CB 3.88Å; P70-C227 WeakPolarHBondContact CG-O 3.47Å
71C62.6Low60.2Low10 Ų1082.3 Ų82.37%0.06840%0.401CS..Hα-helixtrans-62.6-41.3-179.6-7.50000111.5D41 I46 H69 R73 Q74 C227D41-C71 PolarHBondContact OD1-SG 3.45Å; I46-C71 HydrophobicContact CD1-CB 4.47Å; H69-C71 PolarHBondContact O-N 3.47Å; H69-C71 VanDerWaalsContact O-N 3.16Å; C71-R73 VanDerWaalsContact C-N 3.34Å; C71-R73 PolarHBondContact O-N 2.87Å; C71-Q74 WeakPolarHBondContact O-CB 3.19Å; C71-Q74 PolarHBondContact O-N 3.25Å; C71-C227 VanDerWaalsContact CA-SG 3.58Å; C71-C227 HydrophobicContact CB-CB 3.54Å; C71-C227 WeakPolarHBondContact SG-CB 3.45Å
72V64.5Low58.6Low0 Ų080 Ų800%040%0.403CS..Hα-helixtrans-70.6-33.6178.9-174.10000111V38 V56 A66 L67 H69 P70 Q74 F75 F76V38-V72 HydrophobicContact CB-CG2 4.37Å; V38-V72 HydrophobicContact CG1-CG2 3.99Å; V38-V72 HydrophobicContact CG2-CG2 3.33Å; V56-V72 HydrophobicContact CG1-CG1 4.48Å; A66-V72 HydrophobicContact CB-CG2 4.13Å; A66-V72 WeakPolarHBondContact O-CB 3.46Å; A66-V72 WeakPolarHBondContact O-CG2 3.36Å; L67-V72 HydrophobicContact CD2-CG1 4.18Å; H69-V72 PolarHBondContact O-N 3.14Å; P70-V72 VanDerWaalsContact C-N 3.34Å; P70-V72 PolarHBondContact O-N 2.97Å; V72-Q74 PolarHBondContact O-N 3.3Å; V72-F75 WeakPolarHBondContact O-CB 3.28Å; V72-F75 PolarHBondContact O-N 2.97Å; V72-F75 VanDerWaalsContact O-N 3.09Å; V72-F76 HydrophobicContact CG1-CD2 3.99Å; V72-F76 HydrophobicContact CG1-CE2 3.55Å; V72-F76 VanDerWaalsContact O-CD2 3.31Å; V72-F76 WeakPolarHBondContact O-CD2 3.34Å; V72-F76 PolarHBondContact O-N 3.48Å
73R62.4Low57.4Low166 Ų16680.3 Ų80.363%0.62641%0.405SS*.Hα-helixtrans-62.8-28.1176.1-58.7-172.192.2121.30.5112.6P70 C71 F75 R77P70-R73 WeakPolarHBondContact O-CB 3.5Å; P70-R73 PolarHBondContact O-N 3.07Å; C71-R73 VanDerWaalsContact C-N 3.34Å; C71-R73 PolarHBondContact O-N 2.87Å; R73-F75 VanDerWaalsContact C-N 3.33Å; R73-R77 PolarHBondContact O-N 3.22Å; R73-R77 VanDerWaalsContact O-N 3.12Å
74Q60Low56.1Low79 Ų7983.9 Ų83.937%0.36942%0.423SS..Hα-helixtrans-66.3-37175.5-177.2174.6-11.100111.8P70 C71 V72 R77P70-Q74 PolarHBondContact O-N 3.22Å; C71-Q74 WeakPolarHBondContact O-CB 3.19Å; C71-Q74 PolarHBondContact O-N 3.25Å; V72-Q74 PolarHBondContact O-N 3.3Å; Q74-R77 PolarHBondContact O-N 3.23Å
75F60.4Low54.7Low45 Ų4586 Ų8620%0.19744%0.437CS..Hα-helixtrans-64.5-46.4176.5-167.9-94.8000111.5Q47 L50 E51 V72 R73 R77 Q78Q47-F75 HydrophobicContact CB-CD2 4.48Å; Q47-F75 HydrophobicContact CB-CE2 4.04Å; Q47-F75 HydrophobicContact CG-CE2 3.8Å; L50-F75 HydrophobicContact CB-CD1 4.21Å; L50-F75 HydrophobicContact CB-CE1 3.78Å; L50-F75 HydrophobicContact CB-CZ 3.98Å; L50-F75 HydrophobicContact CD1-CB 3.85Å; L50-F75 HydrophobicContact CD1-CD1 3.43Å; L50-F75 VanDerWaalsContact CD1-CD1 3.43Å; L50-F75 HydrophobicContact CD1-CD2 3.99Å; L50-F75 HydrophobicContact CD1-CE1 3.89Å; L50-F75 HydrophobicContact CD1-CE2 4.42Å; L50-F75 HydrophobicContact CD1-CG 3.46Å; L50-F75 VanDerWaalsContact CD1-CG 3.46Å; L50-F75 HydrophobicContact CD1-CZ 4.36Å; L50-F75 HydrophobicContact CG-CD1 4.37Å; L50-F75 HydrophobicContact CG-CE1 4.43Å; E51-F75 HydrophobicContact CG-CZ 4.48Å; V72-F75 WeakPolarHBondContact O-CB 3.28Å; V72-F75 PolarHBondContact O-N 2.97Å; V72-F75 VanDerWaalsContact O-N 3.09Å; R73-F75 VanDerWaalsContact C-N 3.33Å; F75-R77 VanDerWaalsContact C-N 3.27Å; F75-R77 PolarHBondContact O-N 2.85Å; F75-Q78 PolarHBondContact O-N 3.04Å
76F56.4Low53Low58 Ų5895.6 Ų95.625%0.25448%0.477SS..Hα-helixtrans-64-29.9176.7-71.6-68000113.5V56 L67 V72 Q78 Q79 I95V56-F76 HydrophobicContact CG1-CE2 4.32Å; V56-F76 HydrophobicContact CG1-CZ 4.05Å; V56-F76 HydrophobicContact CG2-CZ 4.26Å; L67-F76 HydrophobicContact CD2-CD2 4.07Å; L67-F76 HydrophobicContact CD2-CE2 3.42Å; L67-F76 VanDerWaalsContact CD2-CE2 3.42Å; L67-F76 HydrophobicContact CD2-CZ 4.2Å; V72-F76 HydrophobicContact CG1-CD2 3.99Å; V72-F76 HydrophobicContact CG1-CE2 3.55Å; V72-F76 VanDerWaalsContact O-CD2 3.31Å; V72-F76 WeakPolarHBondContact O-CD2 3.34Å; V72-F76 PolarHBondContact O-N 3.48Å; F76-Q78 PolarHBondContact O-N 3.1Å; F76-Q79 PolarHBondContact O-N 2.87Å; F76-I95 HydrophobicContact CD1-CD1 4.38Å; F76-I95 HydrophobicContact CE1-CD1 3.41Å; F76-I95 VanDerWaalsContact CE1-CD1 3.41Å; F76-I95 HydrophobicContact CE1-CG1 4.13Å; F76-I95 HydrophobicContact CZ-CD1 3.54Å
77R52Low51.4Low201 Ų201100.7 Ų100.776%0.75850%0.504SS*.Hα-helixtrans-70.4-17.9178.3-144.7-170.7-64.7140.3-1.4113.5R73 Q74 F75R73-R77 PolarHBondContact O-N 3.22Å; R73-R77 VanDerWaalsContact O-N 3.12Å; Q74-R77 PolarHBondContact O-N 3.23Å; F75-R77 VanDerWaalsContact C-N 3.27Å; F75-R77 PolarHBondContact O-N 2.85Å
78Q48.5Very low49.7Very low146 Ų146104.9 Ų104.968%0.68253%0.526SS*.THydrogen-bonded Turntrans-95.5-5.4178-69.6-164.4-0.500113.8F75 F76 P80F75-Q78 PolarHBondContact O-N 3.04Å; F76-Q78 PolarHBondContact O-N 3.1Å; Q78-P80 WeakPolarHBondContact O-CD 3.42Å
79Q36.4Very low48.2Very low114 Ų114107.6 Ų107.653%0.53354%0.542SS..SBendtrans-76110.5165.8-65.2-64.5-47.200106.7F76 T81F76-Q79 PolarHBondContact O-N 2.87Å; Q79-T81 PolarHBondContact O-N 3.47Å
80P35.9Very low46.7Very low98 Ų98114.3 Ų114.364%0.63658%0.579SS**  trans-63.7107.7167.827.4-30000105.9Q78 D82Q78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-D82 PolarHBondContact O-N 3.42Å
81T44.3Very low45.5Very low117 Ų117114.6 Ų114.672%0.71859%0.586SS**  trans-67.975.8156.2490000106.6Q79 E83Q79-T81 PolarHBondContact O-N 3.47Å; T81-E83 PolarHBondContact O-N 2.94Å
82D36.7Very low44.1Very low140 Ų140123.3 Ų123.375%0.74963%0.626SS**  trans-52.3123.1148.8-75.9-35.6000105.1P80P80-D82 PolarHBondContact O-N 3.42Å
83E41.2Very low42.7Very low164 Ų164130.2 Ų130.277%0.76666%0.658SS**SBendtrans91.769.9-166.4-50.6-170.9137.400114.7T81 D85T81-E83 PolarHBondContact O-N 2.94Å; E83-D85 PolarHBondContact O-N 3.37Å
84S39.8Very low41.5Very low118 Ų118131.6 Ų131.683%0.82567%0.669SS**  34.928108.1-49.50000120.8
85D41Very low40.3Very low125 Ų125131.3 Ų131.367%0.66867%0.669SS**  trans-106.5102.9169-73.4-26.7000109.9E83 I87E83-D85 PolarHBondContact O-N 3.37Å; D85-I87 VanDerWaalsContact C-N 3.26Å; D85-I87 HydrophobicContact CB-CD1 3.71Å; D85-I87 HydrophobicContact CB-CG1 3.72Å; D85-I87 PolarHBondContact O-N 3.05Å
86K35.3Very low38.9Very low212 Ų212136.3 Ų136.392%0.92270%0.697SS**  trans-5991.8160.6-67.7173.8177.5176.80107.3
87I37.8Very low37.7Very low108 Ų108137.7 Ų137.755%0.55471%0.706SS**  trans-109.4118.5177.5-58.6175.4000108.3D85 A91D85-I87 VanDerWaalsContact C-N 3.26Å; D85-I87 HydrophobicContact CB-CD1 3.71Å; D85-I87 HydrophobicContact CB-CG1 3.72Å; D85-I87 PolarHBondContact O-N 3.05Å; I87-A91 HydrophobicContact CG2-CB 3.38Å
88D33Very low36.8Very low141 Ų141133.1 Ų133.175%0.75470%0.7SS**  trans-47.8137.5172.1-69.1-59.4000110.7D90 A91D88-D90 PolarHBondContact O-N 3.03Å; D88-A91 PolarHBondContact O-N 3.27Å
89V37.2Very low36Very low139 Ų139130 Ų13084%0.84270%0.699SS**THydrogen-bonded Turntrans-53.591.5166.7-102.10000108
90D35.2Very low36Very low166 Ų166128.4 Ų128.489%0.88870%0.698SS**THydrogen-bonded Turntrans170.1-5.7161.3-82.4-26.9000112D88 E92D88-D90 PolarHBondContact O-N 3.03Å; D90-E92 PolarHBondContact O-N 3.17Å
91A34.9Very low36.2Very low60 Ų60127.4 Ų127.450%0.49669%0.692SS.*  trans-77.2116.7172.900000111.1I87 D88 E93I87-A91 HydrophobicContact CG2-CB 3.38Å; D88-A91 PolarHBondContact O-N 3.27Å; A91-E93 VanDerWaalsContact C-N 3.3Å; A91-E93 PolarHBondContact O-N 3.2Å
92E34.3Very low35.8Very low192 Ų192127.8 Ų127.890%0.89770%0.697SS**  trans-53.889.6167.6-59.6176.2148.400109.7D90 K94D90-E92 PolarHBondContact O-N 3.17Å; E92-K94 PolarHBondContact O-N 3.13Å
93E34.9Very low35.9Very low145 Ų145126.6 Ų126.668%0.67869%0.689SS**  trans-59.4103.3174.4-83.4-174.9158.500108.7A91 I95A91-E93 VanDerWaalsContact C-N 3.3Å; A91-E93 PolarHBondContact O-N 3.2Å; E93-I95 HydrophobicContact CB-CG1 4.45Å; E93-I95 PolarHBondContact O-N 3.18Å
94K36.9Very low35.9Very low196 Ų196122.6 Ų122.685%0.85268%0.678SS**  trans-70.773.8169.5-170.1174.5-177.7-1780108E92 L96E92-K94 PolarHBondContact O-N 3.13Å; K94-L96 PolarHBondContact O-N 2.91Å
95I35.4Very low35.8Very low72 Ų72121.8 Ų121.837%0.36968%0.678SS.*  trans-56.6112.1171.5-65.3158.1000106.3V56 F76 E93 I97V56-I95 HydrophobicContact CG2-CD1 4.11Å; F76-I95 HydrophobicContact CD1-CD1 4.38Å; F76-I95 HydrophobicContact CE1-CD1 3.41Å; F76-I95 VanDerWaalsContact CE1-CD1 3.41Å; F76-I95 HydrophobicContact CE1-CG1 4.13Å; F76-I95 HydrophobicContact CZ-CD1 3.54Å; E93-I95 HydrophobicContact CB-CG1 4.45Å; E93-I95 PolarHBondContact O-N 3.18Å; I95-I97 VanDerWaalsContact C-N 3.3Å; I95-I97 PolarHBondContact O-N 2.75Å
96L29Very low35.6Very low151 Ų151120 Ų12079%0.79168%0.681SS**  trans-65.694.7177.8-155.784.1000106.9K94 V98K94-L96 PolarHBondContact O-N 2.91Å; L96-V98 PolarHBondContact O-N 3.35Å
97I32.7Very low35.6Very low87 Ų87113.9 Ų113.945%0.44667%0.67SS.*  trans-58109.3170.3-61.2179.5000105.8G53 I95 A99G53-I97 WeakPolarHBondContact O-CG2 3.34Å; I95-I97 VanDerWaalsContact C-N 3.3Å; I95-I97 PolarHBondContact O-N 2.75Å; I97-A99 PolarHBondContact O-N 3.28Å; I97-A99 VanDerWaalsContact O-N 3.08Å
98V33Very low35.3Very low105 Ų105113.9 Ų113.964%0.63668%0.677SS**PPolyproline II helixtrans-51.7119.9167.3175.90000105.8L96L96-V98 PolarHBondContact O-N 3.35Å
99A31.7Very low35.1Very low79 Ų79112.7 Ų112.765%0.65368%0.679SS**PPolyproline II helixtrans-51130.4-179.500000108.4I97I97-A99 PolarHBondContact O-N 3.28Å; I97-A99 VanDerWaalsContact O-N 3.08Å
100P36.8Very low34.8Very low81 Ų81114.3 Ų114.353%0.52668%0.677SS.*PPolyproline II helixtrans-53139.7-179.521.2-32.2000108.7
101P39.9Very low34.3Very low78 Ų78112.6 Ų112.651%0.50667%0.672SS.*PPolyproline II helixtrans-51.3142.3174.122-31.9000108.8L103P101-L103 PolarHBondContact O-N 3.23Å
102P34.4Very low34.3Very low125 Ų125113.8 Ų113.881%0.81268%0.677SS**PPolyproline II helixtrans-53.2117.8-175.1-2129.6000109.6P104P102-P104 WeakPolarHBondContact O-CD 3.42Å
103L40.5Very low34Very low114 Ų114110.6 Ų110.660%0.59768%0.676SS**PPolyproline II helixtrans-54.3123.8175.4-63.4163000107.8P101 A105P101-L103 PolarHBondContact O-N 3.23Å; L103-A105 PolarHBondContact O-N 2.83Å
104P40.7Very low34Very low80 Ų80108 Ų10852%0.51967%0.674SS.*PPolyproline II helixtrans-58.4135.616424.5-30000107.6R18 P102 A106R18-P104 WeakPolarHBondContact O-CG 3.47Å; P102-P104 WeakPolarHBondContact O-CD 3.42Å; P104-A106 PolarHBondContact O-N 3.43Å
105A37.9Very low33.8Very low101 Ų101107.5 Ų107.584%0.83568%0.675SS**PPolyproline II helixtrans-46.6116.1-174.700000110.5L103 A107L103-A105 PolarHBondContact O-N 2.83Å; A105-A107 PolarHBondContact O-N 3.01Å; A105-A107 VanDerWaalsContact O-N 3.08Å
106A35.6Very low33.5Very low88 Ų88110.1 Ų110.173%0.72769%0.694SS**PPolyproline II helixtrans-50.2119178.200000109.3P104P104-A106 PolarHBondContact O-N 3.43Å
107A36.3Very low33.5Very low84 Ų84112.2 Ų112.269%0.69470%0.7SS**PPolyproline II helixtrans-57.8132164.300000107.4A105 C109A105-A107 PolarHBondContact O-N 3.01Å; A105-A107 VanDerWaalsContact O-N 3.08Å; A107-C109 PolarHBondContact O-N 2.64Å
108P30.9Very low33.2Very low108 Ų108115 Ų11570%0.70172%0.72SS**PPolyproline II helixtrans-62.2123.4-174.522.5-30.9000110Q110P108-Q110 PolarHBondContact O-N 3.04Å
109C28.1Very low32.8Very low116 Ų116114.3 Ų114.378%0.78473%0.726SS**  trans-59.3100169.8-52.50000108.2A107 T111A107-C109 PolarHBondContact O-N 2.64Å; C109-T111 PolarHBondContact O-N 3.3Å; C109-T111 PolarHBondContact O-OG1 3.36Å
110Q30.6Very low32.4Very low172 Ų172115.3 Ų115.380%0.80473%0.734SS**  trans-69.385168.2-67.3-119-13.800107.9P108 S112P108-Q110 PolarHBondContact O-N 3.04Å; Q110-S112 PolarHBondContact O-N 3.24Å
111T26.6Very low31.8Very low130 Ų130116.2 Ų116.280%0.79875%0.748SS**  trans-7969.8166.3-70000107.7C109 S113C109-T111 PolarHBondContact O-N 3.3Å; C109-T111 PolarHBondContact O-OG1 3.36Å; T111-S113 PolarHBondContact O-N 3.35Å
112S33Very low31.1Very low86 Ų86116.7 Ų116.760%0.60176%0.759SS**  trans-84.695.716955.50000108.6Q110 S114Q110-S112 PolarHBondContact O-N 3.24Å; S112-S114 PolarHBondContact O-N 3.14Å
113S29.6Very low30.8Very low125 Ų125117 Ų11787%0.87476%0.759SS**  trans-61.385.3159.7-750000109.5T111T111-S113 PolarHBondContact O-N 3.35Å
114S33.7Very low30.1Very low91 Ų91117.4 Ų117.464%0.63677%0.765SS**  trans-165.898.7162.952.40000110S112S112-S114 PolarHBondContact O-N 3.14Å
115Q33.1Very low29.6Very low185 Ų185118.4 Ų118.486%0.86478%0.78SS**  trans28.9117.6136.2-64.9-177.94.500118.6
116V30.4Very low29.2Very low127 Ų127120.6 Ų120.677%0.7777%0.771SS**  trans6390.3139.5-167.70000115.8
117E27.8Very low29.1Very low194 Ų194124.4 Ų124.491%0.90778%0.779SS**  trans-147.8119137.4-108.8169.8-155.900109.2
118V25.8Very low28.7Very low146 Ų146127.7 Ų127.789%0.88578%0.78SS**  trans-89.1106179.7-169.40000106.4
119A25.2Very low28.8Very low90 Ų90128.2 Ų128.274%0.74479%0.786SS**  trans-150.694.3166.800000107.6
120A24.6Very low29Very low100 Ų100128.3 Ų128.383%0.82679%0.789SS**  61.388.590.900000113.2
121A22.7Very low28.9Very low100 Ų100125.4 Ų125.483%0.82679%0.787SS**  trans176.8105.7140.700000111
122A26.7Very low28.8Very low89 Ų89128.6 Ų128.674%0.73679%0.79SS**  trans16667.3149.400000107.6
123T27.7Very low28.7Very low131 Ų131129.8 Ų129.880%0.80479%0.794SS**  49.280103.264.20000114.3A125T123-A125 PolarHBondContact O-N 3.29Å
124V24.9Very low28.6Very low122 Ų122132.7 Ų132.774%0.73979%0.794SS**  23.692.7123.8-174.10000115K126V124-K126 HydrophobicContact CG1-CD 4.5Å; V124-K126 HydrophobicContact CG1-CG 3.55Å
125A29.9Very low28.6Very low101 Ų101136.7 Ų136.784%0.83580%0.802SS**  trans-95.7109.7148.600000107.2T123 N127T123-A125 PolarHBondContact O-N 3.29Å; A125-N127 PolarHBondContact O-N 3.19Å
126K29.5Very low28.5Very low148 Ų148135.1 Ų135.164%0.64380%0.798SS**  trans-73.8106.8179.9-61179.7174.1-176.10109.3V124V124-K126 HydrophobicContact CG1-CD 4.5Å; V124-K126 HydrophobicContact CG1-CG 3.55Å
127N33.4Very low28.5Very low167 Ų167136 Ų13689%0.89380%0.798SS**  trans-103.282.9151.4-78.2-6.5000107.4A125 S129A125-N127 PolarHBondContact O-N 3.19Å; N127-S129 PolarHBondContact O-N 2.77Å
128E28.3Very low28.5Very low154 Ų154130.8 Ų130.872%0.7279%0.789SS**  trans-75.797.4162.4-72.2171.6-172.800107.4
129S33.1Very low28.6Very low118 Ų118134.7 Ų134.783%0.82579%0.788SS**  trans-165.8112.2150.8-80.20000110.6N127N127-S129 PolarHBondContact O-N 2.77Å
130S32.1Very low28.8Very low119 Ų119134.3 Ų134.383%0.83278%0.784SS**  trans73.792.4159.1-1520000118.3F132S130-F132 PolarHBondContact O-N 2.89Å
131S28.4Very low29.1Very low111 Ų111135 Ų13578%0.77678%0.783SS**  trans-38119.5151.251.90000114.5
132F26Very low29.4Very low196 Ų196135.7 Ų135.786%0.8678%0.782SS**  trans-137.3108.7138.9-158.6-104.9000108.2S130S130-F132 PolarHBondContact O-N 2.89Å
133V29.4Very low29.5Very low112 Ų112135.4 Ų135.468%0.67978%0.78SS**  trans18.3121.6164.3-71.50000119.7
134E28.8Very low29.6Very low186 Ų186134.1 Ų134.187%0.86978%0.783SS**  trans-43.2132.8151.2-62.7170.7134.900111.9
135E33.7Very low30Very low175 Ų175135.4 Ų135.482%0.81879%0.785SS**  trans-154.398.7130.7-154.4156.5-161.100108.8D137E135-D137 PolarHBondContact O-N 3.41Å
136I30.1Very low30.1Very low151 Ų151137 Ų13777%0.77479%0.785SS**  trans-87.992.7174.4-61.9170.8000106.4A138I136-A138 HydrophobicContact CG2-CB 4.36Å; I136-A138 PolarHBondContact O-N 3.34Å
137D29.7Very low29.9Very low145 Ų145135.2 Ų135.278%0.77579%0.789SS**  trans-89.883165.3-96.5-22.1000110.2E135 R139E135-D137 PolarHBondContact O-N 3.41Å; D137-R139 PolarHBondContact O-N 2.86Å
138A28Very low29.8Very low85 Ų85133.5 Ų133.570%0.70279%0.785SS**  trans-75.590.3159.900000109.1I136I136-A138 HydrophobicContact CG2-CB 4.36Å; I136-A138 PolarHBondContact O-N 3.34Å
139R27.7Very low29.7Very low228 Ų228136.1 Ų136.186%0.8679%0.794SS**  trans-135.6103.7165.7-151.275.3-169.9176.61.4113.5D137D137-R139 PolarHBondContact O-N 2.86Å
140A29.7Very low29.6Very low82 Ų82139.1 Ų139.168%0.67880%0.795SS**  trans57101.1135.400000119.3
141S30.3Very low29.4Very low114 Ų114142.6 Ų142.680%0.79780%0.798SS**  -0.1135.5122.9-163.80000118
142S30Very low29.6Very low115 Ų115145 Ų14580%0.80480%0.802SS**  trans69.686.1158.176.90000118.9
143A29.3Very low29.9Very low84 Ų84140.6 Ų140.669%0.69479%0.793SS**  trans-142.3105.8138.300000108.4N145A143-N145 PolarHBondContact O-N 2.91Å
144A28.8Very low30.1Very low104 Ų104144.1 Ų144.186%0.8680%0.802SS**  trans-70.183.8163.400000107.8
145N33.9Very low30.2Very low148 Ų148139.4 Ų139.479%0.79179%0.789SS**  trans-112.4111.1169.6-79.93.4000108.9A143A143-N145 PolarHBondContact O-N 2.91Å
146V31.8Very low30.4Very low136 Ų136138.5 Ų138.582%0.82479%0.79SS**  trans-52.7144.6174.7172.40000110.8
147C25.3Very low30.3Very low110 Ų110140.4 Ų140.474%0.74379%0.793SS**  trans-48.6129.1177.3-51.90000113.6
148T31.7Very low30.6Very low130 Ų130141.1 Ų141.180%0.79880%0.795SS**  trans-130.9101.4150.650.70000107.2E150T148-E150 PolarHBondContact O-N 3.27Å
149F26.9Very low30.9Very low210 Ų210146 Ų14692%0.92180%0.8SS**  trans-74104.1166.8-104.9-101.2000106.8
150E30.5Very low30.9Very low180 Ų180141.4 Ų141.484%0.84180%0.798SS**PPolyproline II helixtrans-92.5121.1161.3-84.9-175.3150.100108.2T148 L152T148-E150 PolarHBondContact O-N 3.27Å; E150-L152 PolarHBondContact O-N 3.29Å
151E28.3Very low31.1Very low192 Ų192143.5 Ų143.590%0.89780%0.803SS**PPolyproline II helixtrans-61.2119.1174.9-69.3172.114100110.2
152L31.4Very low31Very low162 Ų162142.1 Ų142.185%0.84880%0.798SS**PPolyproline II helixtrans-97.6137.3160.8-80.1172.1000109.5E150E150-L152 PolarHBondContact O-N 3.29Å
153P31.8Very low31.2Very low104 Ų104145.7 Ų145.768%0.67580%0.802SS**PPolyproline II helixtrans-76.2131.3-161.629.9-34.8000112.4S155P153-S155 VanDerWaalsContact C-N 3.35Å; P153-S155 PolarHBondContact O-N 3.28Å
154E33.5Very low31.2Very low186 Ų186147.6 Ų147.687%0.86981%0.805SS**  trans-63.288.9169.2-60.7-172.2160.900110.3
155S31.6Very low31.4Very low86 Ų86148.2 Ų148.260%0.60180%0.8SS**  trans-133.990.7168.259.60000110.1P153P153-S155 VanDerWaalsContact C-N 3.35Å; P153-S155 PolarHBondContact O-N 3.28Å
156N38.2Very low31.2Very low156 Ų156148.9 Ų148.983%0.83480%0.803SS**  trans-165.373.4139.1-86.7-32.4000108I158N156-I158 PolarHBondContact O-N 3.22Å
157F28.7Very low31.3Very low191 Ų191150.8 Ų150.884%0.83880%0.803SS**  trans-56.197.6160.9-92.3-99.7000108.8K159F157-K159 PolarHBondContact O-N 2.79Å
158I35.8Very low31.5Very low161 Ų161149.7 Ų149.783%0.82680%0.802SS**PPolyproline II helixtrans-78.7117.4163.6-54.4177.6000106.5N156N156-I158 PolarHBondContact O-N 3.22Å
159K33.9Very low31.4Very low186 Ų186149.9 Ų149.981%0.80980%0.798SS**PPolyproline II helixtrans-63.3132.7-168.3-67.8169.3175.9175.40112.1F157F157-K159 PolarHBondContact O-N 2.79Å
160T27.8Very low31.5Very low133 Ų133147.8 Ų147.882%0.81679%0.794SS**PPolyproline II helixtrans-66.7118.3160.8-51.70000110.5
161T34.3Very low31.6Very low125 Ų125145.9 Ų145.977%0.76779%0.789SS**  trans-146.891.2154.852.60000105.5
162A27.1Very low31.7Very low85 Ų85140.5 Ų140.570%0.70277%0.772SS**  49.377.678.500000113
163E34.4Very low31.5Very low191 Ų191139 Ų13989%0.89377%0.772SS**  trans-140.6107.9144.4-71.4-159.9161.400108.5
164V29.8Very low31.3Very low124 Ų124139.1 Ų139.175%0.75277%0.771SS**  trans-96.3114.8170171.70000106.2L166V164-L166 HydrophobicContact CG1-CG 4.21Å
165P33.3Very low31Very low117 Ų117134.8 Ų134.876%0.7677%0.767SS**  trans-89.6108.6159.410.29000107.7E167P165-E167 PolarHBondContact O-N 2.97Å
166L30.1Very low30.8Very low161 Ų161135.8 Ų135.884%0.84377%0.769SS**  trans-70.994.3163.5-81.1149000108.1V164V164-L166 HydrophobicContact CG1-CG 4.21Å
167E32.7Very low30.2Very low176 Ų176136.4 Ų136.482%0.82277%0.767SS**  trans-123.4105.5159-72.4-162152.900109.8P165 D169P165-E167 PolarHBondContact O-N 2.97Å; E167-D169 PolarHBondContact O-N 3.36Å
168A29Very low29.9Very low88 Ų88137.4 Ų137.473%0.72777%0.767SS**  trans-81.495.1176.500000108.7
169D31.3Very low29.3Very low133 Ų133134 Ų13471%0.71176%0.757SS**  trans-106.294165.8-87.8-16.9000109.7E167 I171E167-D169 PolarHBondContact O-N 3.36Å; D169-I171 HydrophobicContact CB-CD1 4.26Å; D169-I171 HydrophobicContact CB-CG1 4.14Å; D169-I171 PolarHBondContact O-N 3.19Å
170I29Very low28.9Very low166 Ų166131 Ų13185%0.85176%0.755SS**  trans-66.475.6164.7-55.1169.2000106.8S172I170-S172 PolarHBondContact O-N 2.6Å
171I31.5Very low28.7Very low140 Ų140131.6 Ų131.672%0.71875%0.752SS**  trans-8599170.9-61.3171.4000106.9D169D169-I171 HydrophobicContact CB-CD1 4.26Å; D169-I171 HydrophobicContact CB-CG1 4.14Å; D169-I171 PolarHBondContact O-N 3.19Å
172S30.8Very low28.2Very low79 Ų79137.4 Ų137.455%0.55276%0.76SS**  trans-37.9135.7167.2163.30000111.6I170 T174I170-S172 PolarHBondContact O-N 2.6Å; S172-T174 VanDerWaalsContact C-N 3.28Å; S172-T174 PolarHBondContact O-N 2.88Å
173P26.7Very low28.3Very low131 Ų131138.5 Ų138.585%0.85176%0.758SS**  trans-70.680.8-177.629.5-34.4000111.1A175P173-A175 PolarHBondContact O-N 2.77Å
174T27.9Very low27.9Very low106 Ų106134.8 Ų134.865%0.6575%0.754SS**  trans-88.496.3166.146.90000108.7S172 V176S172-T174 VanDerWaalsContact C-N 3.28Å; S172-T174 PolarHBondContact O-N 2.88Å; T174-V176 PolarHBondContact O-N 2.66Å
175A26.1Very low28Very low95 Ų95138.4 Ų138.479%0.78575%0.754SS**  trans23.970.4142.800000116P173 E177P173-A175 PolarHBondContact O-N 2.77Å; A175-E177 PolarHBondContact O-N 3.41Å
176V27.3Very low27.8Very low107 Ų107142.3 Ų142.365%0.64876%0.759SS**  trans-81.4101.5158.5-179.70000106.1T174 Y178T174-V176 PolarHBondContact O-N 2.66Å; V176-Y178 HydrophobicContact CB-CD2 4.31Å; V176-Y178 HydrophobicContact CB-CE2 4.15Å; V176-Y178 HydrophobicContact CG1-CD2 3.88Å; V176-Y178 HydrophobicContact CG1-CE2 3.67Å; V176-Y178 PolarHBondContact O-N 3.22Å
177E27.3Very low27.7Very low170 Ų170139.5 Ų139.579%0.79474%0.743SS**  trans-52.888.3164.6-68.9177.3142.100109.1A175 S179A175-E177 PolarHBondContact O-N 3.41Å; E177-S179 PolarHBondContact O-N 3.1Å
178Y22.5Very low27.7Very low211 Ų211134.9 Ų134.983%0.82773%0.73SS**  trans-74.766.7160.3-80.9-84.2000108.5V176 T180V176-Y178 HydrophobicContact CB-CD2 4.31Å; V176-Y178 HydrophobicContact CB-CE2 4.15Å; V176-Y178 HydrophobicContact CG1-CD2 3.88Å; V176-Y178 HydrophobicContact CG1-CE2 3.67Å; V176-Y178 PolarHBondContact O-N 3.22Å; Y178-T180 PolarHBondContact O-N 3.44Å
179S22.2Very low28Very low89 Ų89139.7 Ų139.762%0.62274%0.737SS**  trans-83.288.816343.10000107.8E177E177-S179 PolarHBondContact O-N 3.1Å
180T26.6Very low28.2Very low125 Ų125140 Ų14077%0.76773%0.734SS**SBendtrans179.3123.9146.7320000109.8Y178Y178-T180 PolarHBondContact O-N 3.44Å
181L21.8Very low28.5Very low144 Ų144139.7 Ų139.775%0.75473%0.729SS**  trans80.752.8164.5-48.2178.8000117.2T183L181-T183 PolarHBondContact O-N 2.96Å
182R24.7Very low28.8Very low247 Ų247136.4 Ų136.493%0.93272%0.716SS**  -63.661.4129.9-82.2-178.8175168.2-1.1109.1S184R182-S184 VanDerWaalsContact C-N 3.3Å; R182-S184 PolarHBondContact O-N 2.76Å; R182-S184 VanDerWaalsContact O-N 3.08Å
183T30.2Very low29.1Very low108 Ų108136.9 Ų136.966%0.66371%0.712SS**  trans-69.31061551.20000103.8L181 R185L181-T183 PolarHBondContact O-N 2.96Å; T183-R185 PolarHBondContact O-N 3.37Å
184S24.8Very low29.7Very low114 Ų114135.4 Ų135.480%0.79771%0.705SS**  trans-53.568.7169.2-55.40000110.4R182 K186R182-S184 VanDerWaalsContact C-N 3.3Å; R182-S184 PolarHBondContact O-N 2.76Å; R182-S184 VanDerWaalsContact O-N 3.08Å; S184-K186 PolarHBondContact O-N 2.8Å
185R32Very low30.4Very low200 Ų200139.1 Ų139.176%0.75571%0.707SS**  trans-75.286.4147-137.1173.5177.6176.4-6.6103T183 M187T183-R185 PolarHBondContact O-N 3.37Å; R185-M187 HydrophobicContact CB-CG 4.01Å; R185-M187 WeakPolarHBondContact CD-SD 3.09Å; R185-M187 HydrophobicContact CG-CG 3.66Å; R185-M187 HydrophobicContact CG-SD 3.87Å; R185-M187 VanDerWaalsContact CZ-SD 3.54Å; R185-M187 PolarHBondContact NE-SD 3.02Å; R185-M187 PolarHBondContact O-N 2.79Å
186K29.2Very low31.5Very low199 Ų199136.5 Ų136.587%0.86568%0.683SS**  -51.974.3128.9-74.3177.4175.4-1790105.1S184 S188S184-K186 PolarHBondContact O-N 2.8Å; K186-S188 PolarHBondContact O-N 3.19Å
187M27.7Very low32.8Very low102 Ų102133.9 Ų133.950%0.50267%0.665SS.*  trans-56.4110.2143.4-67.8-77.6-78.60099.3R185 E189R185-M187 HydrophobicContact CB-CG 4.01Å; R185-M187 WeakPolarHBondContact CD-SD 3.09Å; R185-M187 HydrophobicContact CG-CG 3.66Å; R185-M187 HydrophobicContact CG-SD 3.87Å; R185-M187 VanDerWaalsContact CZ-SD 3.54Å; R185-M187 PolarHBondContact NE-SD 3.02Å; R185-M187 PolarHBondContact O-N 2.79Å; M187-E189 PolarHBondContact O-N 2.89Å
188S32.8Very low34Very low79 Ų79127.4 Ų127.455%0.55264%0.638SS**  trans-28.2138.2156.835.50000107.4K186 E190K186-S188 PolarHBondContact O-N 3.19Å; S188-E190 PolarHBondContact O-N 2.86Å
189E35.7Very low35.5Very low189 Ų189118.9 Ų118.988%0.88361%0.609SS**  trans-5077.3133.5-65.7153.9169.600104.4M187 E191M187-E189 PolarHBondContact O-N 2.89Å; E189-E191 PolarHBondContact O-N 2.99Å
190E34.8Very low37.1Very low139 Ų139116.4 Ų116.465%0.6560%0.598SS**  trans-63.787.3152.5-167.9168.2-171.30097.3S188 T192S188-E190 PolarHBondContact O-N 2.86Å; E190-T192 PolarHBondContact O-N 3.4Å
191E35.1Very low38.8Very low160 Ų160111.8 Ų111.875%0.74858%0.575SS**  trans-31.4100.7147.7-80.8179.1123.400102.1E189 D193E189-E191 PolarHBondContact O-N 2.99Å; E191-D193 VanDerWaalsContact O-CA 3.32Å; E191-D193 WeakPolarHBondContact O-CA 3.09Å; E191-D193 PolarHBondContact O-N 2.9Å
192T39.4Very low40.6Very low71 Ų71105.2 Ų105.244%0.43654%0.54SS..  trans-50.7104.3168.946.50000100.8E190 S194E190-T192 PolarHBondContact O-N 3.4Å; T192-S194 PolarHBondContact O-N 3.33Å
193D36.2Very low42.5Very low88 Ų88102.4 Ų102.447%0.47153%0.53SS..  trans-45.2136.6-162.6-89.7-35.2000104.4E191 R195E191-D193 VanDerWaalsContact O-CA 3.32Å; E191-D193 WeakPolarHBondContact O-CA 3.09Å; E191-D193 PolarHBondContact O-N 2.9Å; D193-R195 HydrophobicContact CB-CB 4.41Å; D193-R195 HydrophobicContact CB-CG 3.87Å; D193-R195 WeakPolarHBondContact O-CA 3.33Å; D193-R195 WeakPolarHBondContact O-CB 3.5Å; D193-R195 PolarHBondContact O-N 3.26Å; D193-R195 IonicContact OD2-CZ 3.76Å; D193-R195 IonicContact OD2-NE 3.84Å; D193-R195 IonicContact OD2-NH2 3.45Å; D193-R195 PolarHBondContact OD2-NH2 3.15Å
194S39.2Very low44Very low101 Ų101102.7 Ų102.771%0.70653%0.527SS*.  trans-60.328.7172.456.10000112.7T192 S196T192-S194 PolarHBondContact O-N 3.33Å; S194-S196 PolarHBondContact O-N 3.2Å
195R43Very low45.8Very low184 Ų18499.6 Ų99.669%0.69450%0.5SS*.  trans-45.573144.5-68.3179.4-170.7157.512108D193 L197D193-R195 HydrophobicContact CB-CB 4.41Å; D193-R195 HydrophobicContact CB-CG 3.87Å; D193-R195 WeakPolarHBondContact O-CA 3.33Å; D193-R195 WeakPolarHBondContact O-CB 3.5Å; D193-R195 PolarHBondContact O-N 3.26Å; D193-R195 IonicContact OD2-CZ 3.76Å; D193-R195 IonicContact OD2-NE 3.84Å; D193-R195 IonicContact OD2-NH2 3.45Å; D193-R195 PolarHBondContact OD2-NH2 3.15Å; R195-L197 WeakPolarHBondContact O-CA 3.46Å; R195-L197 WeakPolarHBondContact O-CD1 3.15Å; R195-L197 PolarHBondContact O-N 2.81Å
196S49Very low47.3Very low39 Ų3992.1 Ų92.127%0.27348%0.475SS..  24.871.5126.570.40000110H42 S194 S198H42-S196 VanDerWaalsContact ND1-CB 3.34Å; H42-S196 WeakPolarHBondContact ND1-CB 3.32Å; S194-S196 PolarHBondContact O-N 3.2Å; S196-S198 PolarHBondContact O-N 3Å
197L54.2Low48.9Very low52 Ų5287 Ų8727%0.27247%0.47SS..  trans-7477-171.9-125.471.6000104.9R195 I202 M205 M221R195-L197 WeakPolarHBondContact O-CA 3.46Å; R195-L197 WeakPolarHBondContact O-CD1 3.15Å; R195-L197 PolarHBondContact O-N 2.81Å; L197-I202 HydrophobicContact CB-CD1 4.2Å; L197-I202 HydrophobicContact CB-CG1 3.6Å; L197-I202 HydrophobicContact CD2-CG1 3.66Å; L197-I202 HydrophobicContact CG-CG1 3.56Å; L197-I202 WeakPolarHBondContact O-CD1 3.12Å; L197-I202 WeakPolarHBondContact O-CG1 3.38Å; L197-M205 HydrophobicContact CD1-SD 4.27Å; L197-M205 HydrophobicContact CD2-SD 4.01Å; L197-M221 HydrophobicContact CB-CE 4.35Å; L197-M221 HydrophobicContact CD2-CE 3.94Å; L197-M221 HydrophobicContact CD2-CG 4.5Å; L197-M221 HydrophobicContact CD2-SD 3.69Å
198S52.3Low50.6Low34 Ų3486.7 Ų86.724%0.23848%0.478CS..  trans-55.7153.5174.467.70000107.2S196 G200 G201 I202S196-S198 PolarHBondContact O-N 3Å; S198-G200 PolarHBondContact O-N 3.1Å; S198-G201 WeakPolarHBondContact O-CA 3.44Å; S198-G201 PolarHBondContact O-N 3.34Å; S198-G201 PolarHBondContact OG-N 2.79Å; S198-I202 WeakPolarHBondContact O-CG1 3.24Å; S198-I202 PolarHBondContact O-N 3.37Å
199P54Low52Low33 Ų3384.9 Ų84.921%0.21446%0.464CS..Hα-helixtrans-48-36.3176.1-29.535.2000113.3R203 I231 I234P199-R203 WeakPolarHBondContact O-CB 3.48Å; P199-R203 PolarHBondContact O-N 3.02Å; P199-I231 HydrophobicContact CG-CD1 4.46Å; P199-I231 HydrophobicContact CG-CG1 3.92Å; P199-I234 HydrophobicContact CB-CD1 3.91Å
200G56.8Low53.5Low37 Ų3778.6 Ų78.638%0.38144%0.44SS..Hα-helixtrans-71.5-44.2173.900000113.7S198 I202 R203 N204S198-G200 PolarHBondContact O-N 3.1Å; G200-I202 VanDerWaalsContact C-N 3.34Å; G200-I202 PolarHBondContact O-N 3.31Å; G200-R203 WeakPolarHBondContact O-CB 3.32Å; G200-R203 PolarHBondContact O-N 3.23Å; G200-R203 VanDerWaalsContact O-N 3.16Å; G200-N204 PolarHBondContact O-N 3Å
201G62.4Low55.2Low27 Ų2774.4 Ų74.428%0.27843%0.426SS..Hα-helixtrans-59.7-43.2175.300000112.4S198 R203 N204 M205S198-G201 WeakPolarHBondContact O-CA 3.44Å; S198-G201 PolarHBondContact O-N 3.34Å; S198-G201 PolarHBondContact OG-N 2.79Å; G201-R203 VanDerWaalsContact C-N 3.34Å; G201-R203 PolarHBondContact O-N 2.61Å; G201-N204 PolarHBondContact O-N 3.42Å; G201-M205 WeakPolarHBondContact O-CB 3.43Å; G201-M205 PolarHBondContact O-N 3.45Å
202I60Low56.8Low6 Ų673 Ų733%0.03142%0.424CS..Hα-helixtrans-57.9-48.4173.3-62.7160.2000110.1L197 S198 G200 N204 M205 I206 M221 I231 I234L197-I202 HydrophobicContact CB-CD1 4.2Å; L197-I202 HydrophobicContact CB-CG1 3.6Å; L197-I202 HydrophobicContact CD2-CG1 3.66Å; L197-I202 HydrophobicContact CG-CG1 3.56Å; L197-I202 WeakPolarHBondContact O-CD1 3.12Å; L197-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 WeakPolarHBondContact O-CG1 3.24Å; S198-I202 PolarHBondContact O-N 3.37Å; G200-I202 VanDerWaalsContact C-N 3.34Å; G200-I202 PolarHBondContact O-N 3.31Å; I202-N204 VanDerWaalsContact C-N 3.33Å; I202-N204 PolarHBondContact O-N 2.7Å; I202-M205 PolarHBondContact O-N 2.65Å; I202-I206 HydrophobicContact CG2-CD1 3.56Å; I202-I206 HydrophobicContact CG2-CG1 4.32Å; I202-I206 VanDerWaalsContact O-CD1 3.3Å; I202-I206 WeakPolarHBondContact O-CD1 3.18Å; I202-I206 WeakPolarHBondContact O-CG1 3.35Å; I202-I206 PolarHBondContact O-N 2.79Å; I202-M221 HydrophobicContact CD1-CE 3.38Å; I202-M221 HydrophobicContact CG1-CE 3.7Å; I202-M221 HydrophobicContact CG1-SD 4.48Å; I202-I231 HydrophobicContact CD1-CB 4.39Å; I202-I231 HydrophobicContact CD1-CD1 4.43Å; I202-I231 HydrophobicContact CD1-CG1 4.04Å; I202-I231 HydrophobicContact CD1-CG2 3.78Å; I202-I234 HydrophobicContact CG2-CG2 3.68Å
203R63Low58.1Low189 Ų18974.6 Ų74.671%0.71343%0.426SS*.Hα-helixtrans-60.9-41.7-179-160.3-179.9-158.3159.83.6112.2P199 G200 G201 A207P199-R203 WeakPolarHBondContact O-CB 3.48Å; P199-R203 PolarHBondContact O-N 3.02Å; G200-R203 WeakPolarHBondContact O-CB 3.32Å; G200-R203 PolarHBondContact O-N 3.23Å; G200-R203 VanDerWaalsContact O-N 3.16Å; G201-R203 VanDerWaalsContact C-N 3.34Å; G201-R203 PolarHBondContact O-N 2.61Å; R203-A207 PolarHBondContact O-N 2.91Å; R203-A207 VanDerWaalsContact O-N 3.14Å
204N62.9Low59.6Low113 Ų11370.6 Ų70.660%0.60441%0.405SS*.Hα-helixtrans-71.5-39.1178-70.4-2.4000112G200 G201 I202 A207 S208G200-N204 PolarHBondContact O-N 3Å; G201-N204 PolarHBondContact O-N 3.42Å; I202-N204 VanDerWaalsContact C-N 3.33Å; I202-N204 PolarHBondContact O-N 2.7Å; N204-A207 PolarHBondContact O-N 3.29Å; N204-S208 PolarHBondContact O-N 3.43Å; N204-S208 PolarHBondContact O-OG 3.41Å
205M62.5Low61Low49 Ų4966.3 Ų66.324%0.24138%0.376CS..Hα-helixtrans-60-47.9174.1-175.2177.9174.700110.1L197 G201 I202 A207 S208 T209 A217L197-M205 HydrophobicContact CD1-SD 4.27Å; L197-M205 HydrophobicContact CD2-SD 4.01Å; G201-M205 WeakPolarHBondContact O-CB 3.43Å; G201-M205 PolarHBondContact O-N 3.45Å; I202-M205 PolarHBondContact O-N 2.65Å; M205-A207 VanDerWaalsContact C-N 3.28Å; M205-A207 PolarHBondContact O-N 3.15Å; M205-S208 PolarHBondContact O-N 2.91Å; M205-S208 VanDerWaalsContact O-N 3.12Å; M205-S208 PolarHBondContact O-OG 3.42Å; M205-T209 HydrophobicContact CG-CG2 3.88Å; M205-T209 WeakPolarHBondContact O-CB 3.38Å; M205-T209 WeakPolarHBondContact O-CG2 3.45Å; M205-T209 PolarHBondContact O-N 2.77Å; M205-T209 PolarHBondContact O-OG1 3.33Å; M205-A217 HydrophobicContact CE-CB 3.67Å
206I62.1Low62.4Low43 Ų4359.8 Ų59.822%0.22136%0.362CS..Hα-helixtrans-58.9-39.7177.3-66157.9000111.9I202 S208 V214 I234 N238I202-I206 HydrophobicContact CG2-CD1 3.56Å; I202-I206 HydrophobicContact CG2-CG1 4.32Å; I202-I206 VanDerWaalsContact O-CD1 3.3Å; I202-I206 WeakPolarHBondContact O-CD1 3.18Å; I202-I206 WeakPolarHBondContact O-CG1 3.35Å; I202-I206 PolarHBondContact O-N 2.79Å; I206-S208 VanDerWaalsContact C-N 3.26Å; I206-S208 PolarHBondContact O-N 3.45Å; I206-V214 HydrophobicContact CG1-CG1 3.98Å; I206-I234 HydrophobicContact CD1-CG2 4.32Å; I206-N238 WeakPolarHBondContact CD1-ND2 3.01Å
207A64.6Low63.2Low91 Ų9158.6 Ų58.675%0.75235%0.354SS*.Hα-helixtrans-70.1-20.8-179.400000113.8R203 N204 M205R203-A207 PolarHBondContact O-N 2.91Å; R203-A207 VanDerWaalsContact O-N 3.14Å; N204-A207 PolarHBondContact O-N 3.29Å; M205-A207 VanDerWaalsContact C-N 3.28Å; M205-A207 PolarHBondContact O-N 3.15Å
208S63.6Low63.9Low96 Ų9656.4 Ų56.467%0.67134%0.343SS*.Hα-helixtrans-115.6-10-170.855.30000115.1N204 M205 I206N204-S208 PolarHBondContact O-N 3.43Å; N204-S208 PolarHBondContact O-OG 3.41Å; M205-S208 PolarHBondContact O-N 2.91Å; M205-S208 VanDerWaalsContact O-N 3.12Å; M205-S208 PolarHBondContact O-OG 3.42Å; I206-S208 VanDerWaalsContact C-N 3.26Å; I206-S208 PolarHBondContact O-N 3.45Å
209T62Low64.7Low42 Ų4262.2 Ų62.226%0.25836%0.359SS..SBendtrans-107.2158.6-174.952.50000112.3M205 V214M205-T209 HydrophobicContact CG-CG2 3.88Å; M205-T209 WeakPolarHBondContact O-CB 3.38Å; M205-T209 WeakPolarHBondContact O-CG2 3.45Å; M205-T209 PolarHBondContact O-N 2.77Å; M205-T209 PolarHBondContact O-OG1 3.33Å; T209-V214 WeakPolarHBondContact OG1-CG2 3.29Å
210S66Low65.3Low56 Ų5663.4 Ų63.439%0.39237%0.366SS..  trans-68.6155178.364.40000111.9D212 E213 V214S210-D212 PolarHBondContact O-N 3.46Å; S210-D212 VanDerWaalsContact O-N 3.16Å; S210-E213 PolarHBondContact N-OE2 3.16Å; S210-E213 PolarHBondContact O-N 2.85Å; S210-E213 VanDerWaalsContact O-N 3.12Å; S210-E213 WeakPolarHBondContact OG-CB 3.42Å; S210-E213 VanDerWaalsContact OG-CG 3.26Å; S210-E213 WeakPolarHBondContact OG-CG 3.47Å; S210-E213 PolarHBondContact OG-N 3.46Å; S210-E213 PolarHBondContact OG-OE2 2.94Å; S210-V214 WeakPolarHBondContact O-CG2 3.47Å; S210-V214 PolarHBondContact O-N 3.35Å
211S70.8Confident65.7Low51 Ų5162.7 Ų62.736%0.35735%0.353SS..Hα-helixtrans-50.6-41.8179.5-167.70000112.5V214 A215 Y242S211-V214 PolarHBondContact O-N 3.11Å; S211-A215 WeakPolarHBondContact O-CB 3.49Å; S211-A215 PolarHBondContact O-N 3.41Å; S211-Y242 VanDerWaalsContact OG-CE1 3.27Å; S211-Y242 WeakPolarHBondContact OG-CE1 3.27Å
212D67.9Low65.9Low132 Ų13263.8 Ų63.871%0.70636%0.355SS*.Hα-helixtrans-70.1-40.4-178.5-65.6-31.6000112.8S210 A215 A216S210-D212 PolarHBondContact O-N 3.46Å; S210-D212 VanDerWaalsContact O-N 3.16Å; D212-A215 PolarHBondContact O-N 3.25Å; D212-A216 WeakPolarHBondContact O-CB 3.32Å; D212-A216 PolarHBondContact O-N 3.2Å
213E66.8Low66.1Low103 Ų10367.7 Ų67.748%0.48138%0.382SS..Hα-helixtrans-67.5-41.2175.8-73.5167.2161.700111.2S210 A215 A216 A217S210-E213 PolarHBondContact N-OE2 3.16Å; S210-E213 PolarHBondContact O-N 2.85Å; S210-E213 VanDerWaalsContact O-N 3.12Å; S210-E213 WeakPolarHBondContact OG-CB 3.42Å; S210-E213 VanDerWaalsContact OG-CG 3.26Å; S210-E213 WeakPolarHBondContact OG-CG 3.47Å; S210-E213 PolarHBondContact OG-N 3.46Å; S210-E213 PolarHBondContact OG-OE2 2.94Å; E213-A215 VanDerWaalsContact C-N 3.33Å; E213-A215 PolarHBondContact O-N 3.16Å; E213-A216 PolarHBondContact O-N 2.64Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 2.73Å
214V68.3Low66.1Low4 Ų466.2 Ų66.22%0.02438%0.377CS..Hα-helixtrans-61-45.4172.7-177.80000109.9I206 T209 S210 S211 A216 A217 V218 Y242I206-V214 HydrophobicContact CG1-CG1 3.98Å; T209-V214 WeakPolarHBondContact OG1-CG2 3.29Å; S210-V214 WeakPolarHBondContact O-CG2 3.47Å; S210-V214 PolarHBondContact O-N 3.35Å; S211-V214 PolarHBondContact O-N 3.11Å; V214-A216 PolarHBondContact O-N 3.04Å; V214-A217 PolarHBondContact O-N 3.34Å; V214-V218 HydrophobicContact CG1-CG2 3.93Å; V214-V218 WeakPolarHBondContact O-CB 3.33Å; V214-V218 WeakPolarHBondContact O-CG2 3.47Å; V214-V218 PolarHBondContact O-N 3.31Å; V214-Y242 HydrophobicContact CB-CE2 4.14Å; V214-Y242 HydrophobicContact CG1-CD2 4.32Å; V214-Y242 HydrophobicContact CG1-CE2 3.4Å; V214-Y242 WeakPolarHBondContact CG1-OH 3.48Å
215A68.9Low66Low11 Ų1167 Ų679%0.09138%0.377CS..Hα-helixtrans-61.5-42.7178.600000112S211 D212 E213 V218 R219 Y242S211-A215 WeakPolarHBondContact O-CB 3.49Å; S211-A215 PolarHBondContact O-N 3.41Å; D212-A215 PolarHBondContact O-N 3.25Å; E213-A215 VanDerWaalsContact C-N 3.33Å; E213-A215 PolarHBondContact O-N 3.16Å; A215-V218 PolarHBondContact O-N 2.87Å; A215-R219 WeakPolarHBondContact O-CB 3.31Å; A215-R219 VanDerWaalsContact O-CG 3.32Å; A215-R219 WeakPolarHBondContact O-CG 3.34Å; A215-R219 PolarHBondContact O-N 3.5Å; A215-Y242 HydrophobicContact CB-CG 4.42Å
216A71.4Confident66Low48 Ų4865.7 Ų65.740%0.39737%0.372SS..Hα-helixtrans-63.4-44.1175.200000112D212 E213 V214 R219 T220D212-A216 WeakPolarHBondContact O-CB 3.32Å; D212-A216 PolarHBondContact O-N 3.2Å; E213-A216 PolarHBondContact O-N 2.64Å; V214-A216 PolarHBondContact O-N 3.04Å; A216-R219 PolarHBondContact O-N 3.36Å; A216-T220 WeakPolarHBondContact O-CB 3.17Å; A216-T220 PolarHBondContact O-N 3.37Å; A216-T220 PolarHBondContact O-OG1 3.27Å
217A65.7Low66Low13 Ų1364.4 Ų64.411%0.10737%0.366CS..Hα-helixtrans-61.3-49.117500000111.1M205 E213 V214 R219 T220 M221M205-A217 HydrophobicContact CE-CB 3.67Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 2.73Å; V214-A217 PolarHBondContact O-N 3.34Å; A217-R219 PolarHBondContact O-N 3.36Å; A217-T220 CarbonylContact O-C 3.57Å; A217-T220 WeakPolarHBondContact O-CB 3.3Å; A217-T220 PolarHBondContact O-N 2.91Å; A217-T220 VanDerWaalsContact O-N 3.15Å; A217-M221 VanDerWaalsContact O-CG 3.24Å; A217-M221 WeakPolarHBondContact O-CG 3.44Å; A217-M221 PolarHBondContact O-N 2.91Å
218V69.6Low65.8Low7 Ų760.2 Ų60.24%0.04233%0.332CS..Hα-helixtrans-58.4-45.6177.4171.40000110.7V214 A215 T220 M221 V222 I235 N238 Y239V214-V218 HydrophobicContact CG1-CG2 3.93Å; V214-V218 WeakPolarHBondContact O-CB 3.33Å; V214-V218 WeakPolarHBondContact O-CG2 3.47Å; V214-V218 PolarHBondContact O-N 3.31Å; A215-V218 PolarHBondContact O-N 2.87Å; V218-T220 VanDerWaalsContact C-N 3.33Å; V218-T220 PolarHBondContact O-N 3.44Å; V218-M221 PolarHBondContact O-N 3.35Å; V218-V222 HydrophobicContact CG1-CG2 4.43Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.49Å; V218-V222 PolarHBondContact O-N 3.49Å; V218-I235 HydrophobicContact CG1-CG2 4.03Å; V218-N238 HydrophobicContact CG2-CB 4.08Å; V218-Y239 HydrophobicContact CG1-CD2 3.91Å; V218-Y239 HydrophobicContact CG1-CG 4.34Å
219R68.7Low65.7Low155 Ų15559 Ų5959%0.58532%0.322SS*.Hα-helixtrans-60.7-41.6175.9-73.6178.4-164.6133.63.5112.3A215 A216 A217 M221 V222 S223 Y239A215-R219 WeakPolarHBondContact O-CB 3.31Å; A215-R219 VanDerWaalsContact O-CG 3.32Å; A215-R219 WeakPolarHBondContact O-CG 3.34Å; A215-R219 PolarHBondContact O-N 3.5Å; A216-R219 PolarHBondContact O-N 3.36Å; A217-R219 PolarHBondContact O-N 3.36Å; R219-M221 VanDerWaalsContact C-N 3.33Å; R219-V222 PolarHBondContact O-N 2.95Å; R219-S223 PolarHBondContact O-N 3.37Å; R219-Y239 HydrophobicContact CG-CE2 4.49Å
220T67.5Low65.7Low58 Ų5860.4 Ų60.436%0.35633%0.333SS..Hα-helixtrans-67.3-35176.7-51.90000111.5A216 A217 V218 S223 R224A216-T220 WeakPolarHBondContact O-CB 3.17Å; A216-T220 PolarHBondContact O-N 3.37Å; A216-T220 PolarHBondContact O-OG1 3.27Å; A217-T220 CarbonylContact O-C 3.57Å; A217-T220 WeakPolarHBondContact O-CB 3.3Å; A217-T220 PolarHBondContact O-N 2.91Å; A217-T220 VanDerWaalsContact O-N 3.15Å; V218-T220 VanDerWaalsContact C-N 3.33Å; V218-T220 PolarHBondContact O-N 3.44Å; T220-S223 PolarHBondContact O-OG 3.28Å; T220-R224 WeakPolarHBondContact O-CB 3.19Å; T220-R224 WeakPolarHBondContact O-CG 3.1Å; T220-R224 PolarHBondContact O-N 3.31Å; T220-R224 VanDerWaalsContact O-N 3.1Å
221M64.3Low65.8Low23 Ų2358 Ų5811%0.11332%0.316CS..Hα-helixtrans-71.5-41.2173.8-66.9179.28400111.6L197 I202 A217 V218 R219 S223 R224 Q225 P226 I231 I235L197-M221 HydrophobicContact CB-CE 4.35Å; L197-M221 HydrophobicContact CD2-CE 3.94Å; L197-M221 HydrophobicContact CD2-CG 4.5Å; L197-M221 HydrophobicContact CD2-SD 3.69Å; I202-M221 HydrophobicContact CD1-CE 3.38Å; I202-M221 HydrophobicContact CG1-CE 3.7Å; I202-M221 HydrophobicContact CG1-SD 4.48Å; A217-M221 VanDerWaalsContact O-CG 3.24Å; A217-M221 WeakPolarHBondContact O-CG 3.44Å; A217-M221 PolarHBondContact O-N 2.91Å; V218-M221 PolarHBondContact O-N 3.35Å; R219-M221 VanDerWaalsContact C-N 3.33Å; M221-S223 VanDerWaalsContact C-N 3.31Å; M221-S223 PolarHBondContact O-N 3.01Å; M221-R224 PolarHBondContact O-N 2.8Å; M221-Q225 PolarHBondContact O-N 3.14Å; M221-P226 WeakPolarHBondContact O-CD 3.42Å; M221-I231 HydrophobicContact CE-CG2 3.74Å; M221-I235 HydrophobicContact CB-CD1 3.55Å; M221-I235 HydrophobicContact CB-CG1 3.99Å; M221-I235 HydrophobicContact CE-CD1 3.6Å; M221-I235 HydrophobicContact CE-CG1 3.83Å; M221-I235 HydrophobicContact CG-CD1 4.4Å; M221-I235 HydrophobicContact SD-CD1 4.15Å; M221-I235 HydrophobicContact SD-CG1 3.97Å
222V67.3Low65.6Low50 Ų5061 Ų6130%0.30332%0.319SS..Hα-helixtrans-59-44.1173.5173.30000110.2V218 R219 R224 Q225 I235 Y239V218-V222 HydrophobicContact CG1-CG2 4.43Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.49Å; V218-V222 PolarHBondContact O-N 3.49Å; R219-V222 PolarHBondContact O-N 2.95Å; V222-R224 VanDerWaalsContact C-N 3.3Å; V222-R224 PolarHBondContact O-N 3.28Å; V222-Q225 PolarHBondContact O-N 3.23Å; V222-Q225 VanDerWaalsContact O-N 3.14Å; V222-Q225 PolarHBondContact O-NE2 2.62Å; V222-I235 HydrophobicContact CB-CG2 4.46Å; V222-I235 HydrophobicContact CG2-CG2 3.27Å; V222-Y239 HydrophobicContact CG2-CD2 3.99Å; V222-Y239 HydrophobicContact CG2-CG 4.4Å
223S65Low65.5Low88 Ų8858.8 Ų58.862%0.61531%0.308SS*.Hα-helixtrans-66.5-31.9178.769.60000112.9R219 T220 M221 Q225R219-S223 PolarHBondContact O-N 3.37Å; T220-S223 PolarHBondContact O-OG 3.28Å; M221-S223 VanDerWaalsContact C-N 3.31Å; M221-S223 PolarHBondContact O-N 3.01Å; S223-Q225 PolarHBondContact O-N 3.12Å
224R61.7Low65.6Low158 Ų15856.1 Ų56.160%0.59630%0.296SS*.Hα-helixtrans-70.4-12.5173.8-79.8176.5160140.7-3.7114.4T220 M221 V222T220-R224 WeakPolarHBondContact O-CB 3.19Å; T220-R224 WeakPolarHBondContact O-CG 3.1Å; T220-R224 PolarHBondContact O-N 3.31Å; T220-R224 VanDerWaalsContact O-N 3.1Å; M221-R224 PolarHBondContact O-N 2.8Å; V222-R224 VanDerWaalsContact C-N 3.3Å; V222-R224 PolarHBondContact O-N 3.28Å
225Q61Low65.6Low129 Ų12956.2 Ų56.260%0.60330%0.296SS*.  trans51.267.4177.3-63.9-69.1-54.200113.2M221 V222 S223 C227M221-Q225 PolarHBondContact O-N 3.14Å; V222-Q225 PolarHBondContact O-N 3.23Å; V222-Q225 VanDerWaalsContact O-N 3.14Å; V222-Q225 PolarHBondContact O-NE2 2.62Å; S223-Q225 PolarHBondContact O-N 3.12Å; Q225-C227 PolarHBondContact O-N 3.02Å
226P62.6Low65.7Low21 Ų2159 Ų5914%0.13632%0.315CS..  trans-59.1136.6-178.216.7-25.7000111M221 I231 R232 I235M221-P226 WeakPolarHBondContact O-CD 3.42Å; P226-I231 HydrophobicContact CB-CB 4.19Å; P226-I231 HydrophobicContact CB-CG2 3.66Å; P226-I231 HydrophobicContact CG-CG2 3.92Å; P226-R232 PolarHBondContact O-NE 3.33Å; P226-R232 PolarHBondContact O-NH2 3.49Å; P226-I235 HydrophobicContact CB-CD1 4.37Å; P226-I235 HydrophobicContact CG-CD1 3.27Å
227C61.9Low65.7Low16 Ų1665.3 Ų65.311%0.10833%0.328CS..SBendtrans-82.5-33.6-173.4-71.90000110.2D41 P70 C71 Q225 P229D41-C227 PolarHBondContact OD2-N 3.34Å; P70-C227 HydrophobicContact CB-CB 4.24Å; P70-C227 HydrophobicContact CG-CB 3.88Å; P70-C227 WeakPolarHBondContact CG-O 3.47Å; C71-C227 VanDerWaalsContact CA-SG 3.58Å; C71-C227 HydrophobicContact CB-CB 3.54Å; C71-C227 WeakPolarHBondContact SG-CB 3.45Å; Q225-C227 PolarHBondContact O-N 3.02Å; C227-P229 WeakPolarHBondContact O-CD 3.33Å
228C61.2Low65.8Low3 Ų365.9 Ų65.92%0.0233%0.33CS..  trans-65.9124.6175.7-82.70000112.1V38 I39 D41 S230 I231 R232V38-C228 PolarHBondContact O-SG 3.1Å; I39-C228 PolarHBondContact O-SG 2.95Å; D41-C228 HydrophobicContact CB-CB 4.4Å; D41-C228 VanDerWaalsContact CG-CB 3.46Å; D41-C228 PolarHBondContact OD1-N 3.28Å; D41-C228 PolarHBondContact OD1-SG 2.71Å; D41-C228 WeakPolarHBondContact OD2-CA 3.05Å; D41-C228 WeakPolarHBondContact OD2-CB 3.08Å; D41-C228 PolarHBondContact OD2-N 3.05Å; C228-S230 PolarHBondContact O-N 3Å; C228-I231 HydrophobicContact CB-CB 4.13Å; C228-I231 HydrophobicContact CB-CD1 4.15Å; C228-I231 HydrophobicContact CB-CG1 4.08Å; C228-I231 PolarHBondContact O-N 3.45Å; C228-R232 VanDerWaalsContact O-CB 3.32Å; C228-R232 WeakPolarHBondContact O-CB 3.37Å; C228-R232 PolarHBondContact O-N 3.13Å
229P60.8Low65.8Low72 Ų7269.7 Ų69.747%0.46834%0.344SS..Hα-helixtrans-57-35.9171.8-25.835.3000112.8C227 N233C227-P229 WeakPolarHBondContact O-CD 3.33Å; P229-N233 WeakPolarHBondContact O-CB 3.39Å; P229-N233 PolarHBondContact O-N 3.33Å; P229-N233 PolarHBondContact O-ND2 3.06Å
230S62.9Low65.8Low70 Ų7068.6 Ų68.649%0.4934%0.344SS..Hα-helixtrans-63.5-48178.9-60.80000112.2C228 N233 I234C228-S230 PolarHBondContact O-N 3Å; S230-N233 PolarHBondContact O-N 3.12Å; S230-I234 VanDerWaalsContact O-CG1 3.29Å; S230-I234 WeakPolarHBondContact O-CG1 3.18Å; S230-I234 PolarHBondContact O-N 3.2Å
231I66.8Low65.9Low6 Ų670 Ų703%0.03135%0.348CS..Hα-helixtrans-68.1-45.1178.2-64.7177.9000110.1D41 P199 I202 M221 P226 C228 N233 I234 I235D41-I231 HydrophobicContact CB-CD1 3.72Å; P199-I231 HydrophobicContact CG-CD1 4.46Å; P199-I231 HydrophobicContact CG-CG1 3.92Å; I202-I231 HydrophobicContact CD1-CB 4.39Å; I202-I231 HydrophobicContact CD1-CD1 4.43Å; I202-I231 HydrophobicContact CD1-CG1 4.04Å; I202-I231 HydrophobicContact CD1-CG2 3.78Å; M221-I231 HydrophobicContact CE-CG2 3.74Å; P226-I231 HydrophobicContact CB-CB 4.19Å; P226-I231 HydrophobicContact CB-CG2 3.66Å; P226-I231 HydrophobicContact CG-CG2 3.92Å; C228-I231 HydrophobicContact CB-CB 4.13Å; C228-I231 HydrophobicContact CB-CD1 4.15Å; C228-I231 HydrophobicContact CB-CG1 4.08Å; C228-I231 PolarHBondContact O-N 3.45Å; I231-N233 VanDerWaalsContact C-N 3.28Å; I231-N233 PolarHBondContact O-N 3.04Å; I231-I234 PolarHBondContact O-N 2.76Å; I231-I234 VanDerWaalsContact O-N 3.15Å; I231-I235 HydrophobicContact CG2-CD1 3.61Å; I231-I235 HydrophobicContact CG2-CG1 4.37Å; I231-I235 WeakPolarHBondContact O-CD1 3Å; I231-I235 VanDerWaalsContact O-CG1 3.3Å; I231-I235 WeakPolarHBondContact O-CG1 3.34Å; I231-I235 PolarHBondContact O-N 3.47Å
232R67.5Low66Low113 Ų11371.2 Ų71.243%0.42635%0.352SS..Hα-helixtrans-55.8-43174-170.8-175.9-58.1175.22.2111.8P226 C228 I235 S236P226-R232 PolarHBondContact O-NE 3.33Å; P226-R232 PolarHBondContact O-NH2 3.49Å; C228-R232 VanDerWaalsContact O-CB 3.32Å; C228-R232 WeakPolarHBondContact O-CB 3.37Å; C228-R232 PolarHBondContact O-N 3.13Å; R232-I235 PolarHBondContact O-N 3.16Å; R232-S236 WeakPolarHBondContact O-CB 3.41Å; R232-S236 PolarHBondContact O-N 3.08Å; R232-S236 PolarHBondContact O-OG 2.65Å
233N65.6Low65.7Low87 Ų8774.7 Ų74.747%0.46537%0.365SS..Hα-helixtrans-67.4-37.5178.5-76.1-18.5000112.6P229 S230 I231 R237P229-N233 WeakPolarHBondContact O-CB 3.39Å; P229-N233 PolarHBondContact O-N 3.33Å; P229-N233 PolarHBondContact O-ND2 3.06Å; S230-N233 PolarHBondContact O-N 3.12Å; I231-N233 VanDerWaalsContact C-N 3.28Å; I231-N233 PolarHBondContact O-N 3.04Å; N233-R237 WeakPolarHBondContact O-CB 3.38Å; N233-R237 WeakPolarHBondContact O-CG 3.38Å; N233-R237 PolarHBondContact O-N 2.92Å; N233-R237 VanDerWaalsContact O-N 3.1Å
234I68.9Low65.3Low46 Ų4680 Ų8024%0.23637%0.371CS..Hα-helixtrans-63.6-49.4174-68.9164.5000109.6P199 I202 I206 S230 I231 R237 N238P199-I234 HydrophobicContact CB-CD1 3.91Å; I202-I234 HydrophobicContact CG2-CG2 3.68Å; I206-I234 HydrophobicContact CD1-CG2 4.32Å; S230-I234 VanDerWaalsContact O-CG1 3.29Å; S230-I234 WeakPolarHBondContact O-CG1 3.18Å; S230-I234 PolarHBondContact O-N 3.2Å; I231-I234 PolarHBondContact O-N 2.76Å; I231-I234 VanDerWaalsContact O-N 3.15Å; I234-R237 PolarHBondContact O-N 3.42Å; I234-N238 PolarHBondContact O-N 2.98Å; I234-N238 PolarHBondContact O-ND2 2.89Å; I234-N238 VanDerWaalsContact O-ND2 3.11Å
235I69Low65Low7 Ų781.8 Ų81.84%0.03639%0.387CS..Hα-helixtrans-61.3-48.5178.5-67.5159.7000111V218 M221 V222 P226 I231 R232 R237 N238 Y239V218-I235 HydrophobicContact CG1-CG2 4.03Å; M221-I235 HydrophobicContact CB-CD1 3.55Å; M221-I235 HydrophobicContact CB-CG1 3.99Å; M221-I235 HydrophobicContact CE-CD1 3.6Å; M221-I235 HydrophobicContact CE-CG1 3.83Å; M221-I235 HydrophobicContact CG-CD1 4.4Å; M221-I235 HydrophobicContact SD-CD1 4.15Å; M221-I235 HydrophobicContact SD-CG1 3.97Å; V222-I235 HydrophobicContact CB-CG2 4.46Å; V222-I235 HydrophobicContact CG2-CG2 3.27Å; P226-I235 HydrophobicContact CB-CD1 4.37Å; P226-I235 HydrophobicContact CG-CD1 3.27Å; I231-I235 HydrophobicContact CG2-CD1 3.61Å; I231-I235 HydrophobicContact CG2-CG1 4.37Å; I231-I235 WeakPolarHBondContact O-CD1 3Å; I231-I235 VanDerWaalsContact O-CG1 3.3Å; I231-I235 WeakPolarHBondContact O-CG1 3.34Å; I231-I235 PolarHBondContact O-N 3.47Å; R232-I235 PolarHBondContact O-N 3.16Å; I235-R237 VanDerWaalsContact C-N 3.3Å; I235-R237 PolarHBondContact O-N 3.29Å; I235-N238 PolarHBondContact O-N 2.89Å; I235-N238 VanDerWaalsContact O-N 3.16Å; I235-Y239 WeakPolarHBondContact O-CB 3.33Å; I235-Y239 PolarHBondContact O-N 3.34Å
236S71.1Confident65.2Low68 Ų6879.5 Ų79.548%0.47638%0.376SS..Hα-helixtrans-60-40-179.8-67.40000112.2R232 F240R232-S236 WeakPolarHBondContact O-CB 3.41Å; R232-S236 PolarHBondContact O-N 3.08Å; R232-S236 PolarHBondContact O-OG 2.65Å; S236-F240 WeakPolarHBondContact O-CB 3.45Å; S236-F240 PolarHBondContact O-N 2.87Å
237R69.9Low65.4Low181 Ų18182.5 Ų82.568%0.68339%0.388SS*.Hα-helixtrans-63.7-44.5175-83.4-173.1168.6101-2.5111.9N233 I234 I235 I241N233-R237 WeakPolarHBondContact O-CB 3.38Å; N233-R237 WeakPolarHBondContact O-CG 3.38Å; N233-R237 PolarHBondContact O-N 2.92Å; N233-R237 VanDerWaalsContact O-N 3.1Å; I234-R237 PolarHBondContact O-N 3.42Å; I235-R237 VanDerWaalsContact C-N 3.3Å; I235-R237 PolarHBondContact O-N 3.29Å; R237-I241 WeakPolarHBondContact O-CG1 3.26Å; R237-I241 PolarHBondContact O-N 3.41Å
238N68.1Low65.6Low26 Ų2686.2 Ų86.214%0.13940%0.404CS..Hα-helixtrans-74.6-43-177.9-68.2-33000112.2I206 V218 I234 I235 F240 I241 Y242I206-N238 WeakPolarHBondContact CD1-ND2 3.01Å; V218-N238 HydrophobicContact CG2-CB 4.08Å; I234-N238 PolarHBondContact O-N 2.98Å; I234-N238 PolarHBondContact O-ND2 2.89Å; I234-N238 VanDerWaalsContact O-ND2 3.11Å; I235-N238 PolarHBondContact O-N 2.89Å; I235-N238 VanDerWaalsContact O-N 3.16Å; N238-F240 PolarHBondContact O-N 2.82Å; N238-I241 WeakPolarHBondContact O-CA 3.49Å; N238-I241 WeakPolarHBondContact O-CB 3.4Å; N238-I241 PolarHBondContact O-N 2.98Å; N238-Y242 HydrophobicContact CB-CD2 4.28Å; N238-Y242 HydrophobicContact CB-CE2 4.06Å; N238-Y242 WeakPolarHBondContact O-CD2 3.49Å; N238-Y242 PolarHBondContact O-N 3.26Å
239Y70.9Confident65.8Low87 Ų8791.1 Ų91.134%0.34143%0.427SS..Hα-helixtrans-53.1-43.6174.9-173.8-97.1000111V218 R219 V222 I235 I241 Y242 E243V218-Y239 HydrophobicContact CG1-CD2 3.91Å; V218-Y239 HydrophobicContact CG1-CG 4.34Å; R219-Y239 HydrophobicContact CG-CE2 4.49Å; V222-Y239 HydrophobicContact CG2-CD2 3.99Å; V222-Y239 HydrophobicContact CG2-CG 4.4Å; I235-Y239 WeakPolarHBondContact O-CB 3.33Å; I235-Y239 PolarHBondContact O-N 3.34Å; Y239-I241 VanDerWaalsContact C-N 3.35Å; Y239-I241 PolarHBondContact O-N 2.77Å; Y239-Y242 PolarHBondContact O-N 2.87Å; Y239-E243 HydrophobicContact CD1-CG 4.13Å; Y239-E243 HydrophobicContact CE1-CG 3.63Å; Y239-E243 HydrophobicContact CE2-CG 4.19Å; Y239-E243 VanDerWaalsContact CZ-OE1 3.28Å; Y239-E243 PolarHBondContact O-N 3.21Å; Y239-E243 PolarHBondContact OH-OE1 3.25Å
240F69Low66.1Low131 Ų13192.3 Ų92.358%0.57542%0.424SS*.Hα-helixtrans-63.8-36.2175.7-174.6-95000113.6S236 N238S236-F240 WeakPolarHBondContact O-CB 3.45Å; S236-F240 PolarHBondContact O-N 2.87Å; N238-F240 PolarHBondContact O-N 2.82Å
241I69.6Low66.3Low89 Ų8993.8 Ų93.846%0.45642%0.42SS..Hα-helixtrans-68.3-40.2177.3-67.4165.2000110.6R237 N238 Y239R237-I241 WeakPolarHBondContact O-CG1 3.26Å; R237-I241 PolarHBondContact O-N 3.41Å; N238-I241 WeakPolarHBondContact O-CA 3.49Å; N238-I241 WeakPolarHBondContact O-CB 3.4Å; N238-I241 PolarHBondContact O-N 2.98Å; Y239-I241 VanDerWaalsContact C-N 3.35Å; Y239-I241 PolarHBondContact O-N 2.77Å
242Y65.9Low66.3Low48 Ų48100.1 Ų100.119%0.18845%0.447CS..Hα-helixtrans-84.3-27.2-174.3-66.8-67.2000114.7S211 V214 A215 N238 Y239 R244S211-Y242 VanDerWaalsContact OG-CE1 3.27Å; S211-Y242 WeakPolarHBondContact OG-CE1 3.27Å; V214-Y242 HydrophobicContact CB-CE2 4.14Å; V214-Y242 HydrophobicContact CG1-CD2 4.32Å; V214-Y242 HydrophobicContact CG1-CE2 3.4Å; V214-Y242 WeakPolarHBondContact CG1-OH 3.48Å; A215-Y242 HydrophobicContact CB-CG 4.42Å; N238-Y242 HydrophobicContact CB-CD2 4.28Å; N238-Y242 HydrophobicContact CB-CE2 4.06Å; N238-Y242 WeakPolarHBondContact O-CD2 3.49Å; N238-Y242 PolarHBondContact O-N 3.26Å; Y239-Y242 PolarHBondContact O-N 2.87Å; Y242-R244 PolarHBondContact O-N 3.37Å
243E59.7Low66.2Low122 Ų12299.1 Ų99.157%0.5745%0.449SS*.THydrogen-bonded Turntrans-69.3-12.6172.9-82.8-98.7160.700113.6Y239Y239-E243 HydrophobicContact CD1-CG 4.13Å; Y239-E243 HydrophobicContact CE1-CG 3.63Å; Y239-E243 HydrophobicContact CE2-CG 4.19Å; Y239-E243 VanDerWaalsContact CZ-OE1 3.28Å; Y239-E243 PolarHBondContact O-N 3.21Å; Y239-E243 PolarHBondContact OH-OE1 3.25Å
244R57.1Low66.3Low199 Ų199100.1 Ų100.175%0.75145%0.448SS*.THydrogen-bonded Turntrans-97-6.8-178-75.9-89.2-171.2166.2-0.5114.1Y242Y242-R244 PolarHBondContact O-N 3.37Å
245Q56.1Low66Low197 Ų197105 Ų10592%0.92147%0.467SS*.  trans-96.30178.7-65.6-165.2-2.500110.9

Retrieved 245 of 245 residues in 338.1 ms (Link to these results)

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