G4LYJ9_SCHMA Loading...

Trematode Eggshell Synthesis domain containing protein

AlphaFold DB , UniProt , Accession G4LYJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	37.7	Very low	53.9	Low	245 Å²	245	146.9 Å²	146.9	100%	1.207	73%	0.728	S	S	*	*				0	115.3	0	-76.7	-173.1	162.2	0	0	106.8	E3	M1-E3 PolarHBondContact O-N 2.72Å
2	M	40.1	Very low	54.8	Low	191 Å²	191	144.3 Å²	144.3	94%	0.941	72%	0.718	S	S	*	*			trans	-69.2	117.1	-178.5	-89.6	173.8	165.7	0	0	108.5	E4	M2-E4 PolarHBondContact O-N 2.81Å
3	E	44.6	Very low	55.9	Low	144 Å²	144	141.7 Å²	141.7	67%	0.673	71%	0.707	S	S	*	*			trans	-56.4	101.3	164.6	-73.7	178.2	163.3	0	0	107.5	M1 R5	M1-E3 PolarHBondContact O-N 2.72Å; E3-R5 HydrophobicContact CB-CG 4.05Å; E3-R5 PolarHBondContact O-N 2.79Å; E3-R5 IonicContact OE2-CZ 3.47Å; E3-R5 IonicContact OE2-NE 3.04Å; E3-R5 PolarHBondContact OE2-NE 2.83Å; E3-R5 IonicContact OE2-NH2 2.97Å; E3-R5 PolarHBondContact OE2-NH2 3.15Å
4	E	49.8	Very low	56.6	Low	186 Å²	186	139.3 Å²	139.3	87%	0.869	70%	0.697	S	S	*	*			trans	-63.9	81	157.7	-75.2	-173.2	169.8	0	0	106.8	M2 I6	M2-E4 PolarHBondContact O-N 2.81Å; E4-I6 PolarHBondContact O-N 2.8Å; E4-I6 VanDerWaalsContact O-N 3.12Å
5	R	52.5	Low	57.1	Low	177 Å²	177	138.3 Å²	138.3	67%	0.668	69%	0.687	S	S	*	*			trans	-59.2	120.6	171.5	-69.6	-168.8	174.8	-154.6	-3.4	106.1	E3 N7	E3-R5 HydrophobicContact CB-CG 4.05Å; E3-R5 PolarHBondContact O-N 2.79Å; E3-R5 IonicContact OE2-CZ 3.47Å; E3-R5 IonicContact OE2-NE 3.04Å; E3-R5 PolarHBondContact OE2-NE 2.83Å; E3-R5 IonicContact OE2-NH2 2.97Å; E3-R5 PolarHBondContact OE2-NH2 3.15Å; R5-N7 PolarHBondContact O-N 2.76Å; R5-N7 PolarHBondContact O-OD1 3.11Å
6	I	55.4	Low	57.8	Low	131 Å²	131	133.6 Å²	133.6	67%	0.672	67%	0.672	S	S	*	*			trans	-62.6	76.8	-178.9	-57	164.8	0	0	0	107.9	E4 N8 L9	E4-I6 PolarHBondContact O-N 2.8Å; E4-I6 VanDerWaalsContact O-N 3.12Å; I6-N8 PolarHBondContact O-N 2.92Å; I6-N8 VanDerWaalsContact O-N 3.08Å; I6-L9 HydrophobicContact CG2-CB 4.39Å; I6-L9 PolarHBondContact O-N 3.39Å
7	N	57.8	Low	58.4	Low	136 Å²	136	135.1 Å²	135.1	73%	0.727	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	-179	-76.4	-19.3	0	0	0	111.9	R5	R5-N7 PolarHBondContact O-N 2.76Å; R5-N7 PolarHBondContact O-OD1 3.11Å
8	N	58.4	Low	58.5	Low	107 Å²	107	131.8 Å²	131.8	57%	0.572	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	3.4	-176.4	-62.7	-24.4	0	0	0	113.7	I6 L11 L12	I6-N8 PolarHBondContact O-N 2.92Å; I6-N8 VanDerWaalsContact O-N 3.08Å; N8-L11 WeakPolarHBondContact O-CB 3.44Å; N8-L11 PolarHBondContact O-N 3.11Å; N8-L12 PolarHBondContact O-N 3.04Å
9	L	64.7	Low	58.7	Low	105 Å²	105	129.7 Å²	129.7	55%	0.55	64%	0.644	S	S	.	*	H	α-helix	trans	-51.4	-47	179.2	-163.7	75.7	0	0	0	114	I6 L11 L12 L13	I6-L9 HydrophobicContact CG2-CB 4.39Å; I6-L9 PolarHBondContact O-N 3.39Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.04Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.85Å
10	P	70.5	Confident	58.8	Low	90 Å²	90	130.1 Å²	130.1	58%	0.584	64%	0.641	S	S	*	*	H	α-helix	trans	-64.6	-33.6	178.5	23.4	-32.6	0	0	0	112.7	L14	P10-L14 PolarHBondContact O-N 3.28Å; P10-L14 VanDerWaalsContact O-N 3.09Å
11	L	61.1	Low	58.6	Low	104 Å²	104	126.6 Å²	126.6	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-69.3	-40.1	178.3	-128.2	122.3	0	0	0	111.2	N8 L9 L14 F15	N8-L11 WeakPolarHBondContact O-CB 3.44Å; N8-L11 PolarHBondContact O-N 3.11Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.04Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-F15 HydrophobicContact CD2-CD2 4.18Å; L11-F15 HydrophobicContact CD2-CE2 3.93Å; L11-F15 WeakPolarHBondContact O-CD2 3.25Å; L11-F15 PolarHBondContact O-N 2.97Å
12	L	64.3	Low	59.4	Low	116 Å²	116	120.5 Å²	120.5	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-66.2	-39.9	178.6	-138.7	149.9	0	0	0	111.4	N8 L9 F15 S16	N8-L12 PolarHBondContact O-N 3.04Å; L9-L12 PolarHBondContact O-N 3.39Å; L12-F15 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-N 3.03Å
13	L	69.5	Low	60.1	Low	110 Å²	110	116 Å²	116	58%	0.576	58%	0.576	S	S	*	*	H	α-helix	trans	-62.3	-43.4	171.9	-71.1	172	0	0	0	111.8	L9 S16 Y17	L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.85Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-S16 PolarHBondContact O-OG 3.5Å; L13-Y17 PolarHBondContact O-N 2.67Å
14	L	65.4	Low	60.5	Low	108 Å²	108	111.4 Å²	111.4	57%	0.565	56%	0.558	S	S	*	*	H	α-helix	trans	-64.4	-42.8	179.3	-158.4	123	0	0	0	112	P10 L11 Y17 I18	P10-L14 PolarHBondContact O-N 3.28Å; P10-L14 VanDerWaalsContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 2.93Å; L14-Y17 PolarHBondContact O-N 3.07Å; L14-I18 HydrophobicContact CD2-CD1 3.76Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å; L14-I18 PolarHBondContact O-N 3.12Å
15	F	65	Low	60.5	Low	125 Å²	125	108 Å²	108	55%	0.548	55%	0.545	S	S	.	.	H	α-helix	trans	-60.6	-44.4	172.9	-96.7	-80.4	0	0	0	112.2	L11 L12 Y17 I18 I19	L11-F15 HydrophobicContact CD2-CD2 4.18Å; L11-F15 HydrophobicContact CD2-CE2 3.93Å; L11-F15 WeakPolarHBondContact O-CD2 3.25Å; L11-F15 PolarHBondContact O-N 2.97Å; L12-F15 PolarHBondContact O-N 2.92Å; F15-Y17 VanDerWaalsContact C-N 3.3Å; F15-Y17 PolarHBondContact O-N 2.85Å; F15-I18 PolarHBondContact O-N 2.75Å; F15-I19 WeakPolarHBondContact O-CG1 3.33Å; F15-I19 PolarHBondContact O-N 3.37Å
16	S	68.6	Low	60.4	Low	63 Å²	63	101.4 Å²	101.4	44%	0.441	53%	0.532	S	S	.	.	H	α-helix	trans	-61.4	-39.5	178.4	78.3	0	0	0	0	112.2	L12 L13 I19 F20	L12-S16 PolarHBondContact O-N 3.03Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-S16 PolarHBondContact O-OG 3.5Å; S16-I19 PolarHBondContact O-N 3.08Å; S16-F20 WeakPolarHBondContact O-CB 3.47Å; S16-F20 PolarHBondContact O-N 3.06Å
17	Y	66.6	Low	60.1	Low	158 Å²	158	100 Å²	100	62%	0.62	53%	0.526	S	S	*	.	H	α-helix	trans	-66.3	-41.9	176.8	178.5	-101.6	0	0	0	111.8	L13 L14 F15 F20 N21	L13-Y17 PolarHBondContact O-N 2.67Å; L14-Y17 PolarHBondContact O-N 3.07Å; F15-Y17 VanDerWaalsContact C-N 3.3Å; F15-Y17 PolarHBondContact O-N 2.85Å; Y17-F20 PolarHBondContact O-N 3.48Å; Y17-N21 WeakPolarHBondContact CD1-ND2 3.38Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.41Å; Y17-N21 VanDerWaalsContact CE2-ND2 3.28Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.4Å; Y17-N21 WeakPolarHBondContact O-CB 3.28Å; Y17-N21 PolarHBondContact O-N 3.29Å; Y17-N21 PolarHBondContact O-ND2 3.06Å
18	I	60.8	Low	59.3	Low	77 Å²	77	98.5 Å²	98.5	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-46.1	177.4	-69	166.7	0	0	0	110.6	L14 F15 N21 L22	L14-I18 HydrophobicContact CD2-CD1 3.76Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å; L14-I18 PolarHBondContact O-N 3.12Å; F15-I18 PolarHBondContact O-N 2.75Å; I18-N21 PolarHBondContact O-N 2.96Å; I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 PolarHBondContact O-N 3.39Å
19	I	62.8	Low	58.8	Low	92 Å²	92	100 Å²	100	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-45.4	179	-66.2	169	0	0	0	110.6	F15 S16 N21 L22 I23	F15-I19 WeakPolarHBondContact O-CG1 3.33Å; F15-I19 PolarHBondContact O-N 3.37Å; S16-I19 PolarHBondContact O-N 3.08Å; I19-N21 VanDerWaalsContact C-N 3.31Å; I19-N21 PolarHBondContact O-N 3.36Å; I19-L22 PolarHBondContact O-N 3.34Å; I19-I23 HydrophobicContact CG2-CD1 3.75Å; I19-I23 HydrophobicContact CG2-CG1 4.38Å; I19-I23 WeakPolarHBondContact O-CG1 3.35Å; I19-I23 PolarHBondContact O-N 3.1Å
20	F	60.3	Low	58.1	Low	136 Å²	136	98.7 Å²	98.7	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-58.6	-43.7	176.8	-172.9	-95.6	0	0	0	111.6	S16 Y17 I23 T24	S16-F20 WeakPolarHBondContact O-CB 3.47Å; S16-F20 PolarHBondContact O-N 3.06Å; Y17-F20 PolarHBondContact O-N 3.48Å; F20-I23 PolarHBondContact O-N 3Å; F20-T24 HydrophobicContact CD1-CG2 4.19Å; F20-T24 HydrophobicContact CE1-CG2 3.82Å; F20-T24 HydrophobicContact CZ-CG2 4.08Å; F20-T24 WeakPolarHBondContact O-CG2 3.33Å; F20-T24 PolarHBondContact O-N 3.26Å; F20-T24 PolarHBondContact O-OG1 3.31Å; F20-T24 VanDerWaalsContact O-OG1 3.09Å
21	N	55.3	Low	57.1	Low	57 Å²	57	99.5 Å²	99.5	31%	0.305	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-36.1	176.4	-77.8	-61.5	0	0	0	113.5	Y17 I18 I19 T24 L25	Y17-N21 WeakPolarHBondContact CD1-ND2 3.38Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.41Å; Y17-N21 VanDerWaalsContact CE2-ND2 3.28Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.4Å; Y17-N21 WeakPolarHBondContact O-CB 3.28Å; Y17-N21 PolarHBondContact O-N 3.29Å; Y17-N21 PolarHBondContact O-ND2 3.06Å; I18-N21 PolarHBondContact O-N 2.96Å; I19-N21 VanDerWaalsContact C-N 3.31Å; I19-N21 PolarHBondContact O-N 3.36Å; N21-T24 WeakPolarHBondContact CA-OG1 3.41Å; N21-T24 PolarHBondContact O-OG1 3.15Å; N21-L25 WeakPolarHBondContact O-CB 3.12Å; N21-L25 PolarHBondContact O-N 3.4Å
22	L	53.5	Low	56.4	Low	117 Å²	117	100.3 Å²	100.3	61%	0.613	52%	0.517	S	S	*	.	H	α-helix	trans	-65.6	-42.4	175	-89.5	150.8	0	0	0	111.8	I18 I19 L25 G26	I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 PolarHBondContact O-N 3.39Å; I19-L22 PolarHBondContact O-N 3.34Å; L22-L25 PolarHBondContact O-N 3Å; L22-G26 PolarHBondContact O-N 2.72Å
23	I	54.2	Low	55.5	Low	97 Å²	97	97.9 Å²	97.9	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-45.2	177.3	-66	167.3	0	0	0	110.5	I19 F20 L25 G26 N27	I19-I23 HydrophobicContact CG2-CD1 3.75Å; I19-I23 HydrophobicContact CG2-CG1 4.38Å; I19-I23 WeakPolarHBondContact O-CG1 3.35Å; I19-I23 PolarHBondContact O-N 3.1Å; F20-I23 PolarHBondContact O-N 3Å; I23-L25 PolarHBondContact O-N 3.04Å; I23-G26 PolarHBondContact O-N 3.25Å; I23-N27 PolarHBondContact O-N 3.09Å
24	T	53.1	Low	54.5	Low	48 Å²	48	98.8 Å²	98.8	29%	0.294	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-37.7	178.2	53.3	0	0	0	0	112.1	F20 N21 N27 M28	F20-T24 HydrophobicContact CD1-CG2 4.19Å; F20-T24 HydrophobicContact CE1-CG2 3.82Å; F20-T24 HydrophobicContact CZ-CG2 4.08Å; F20-T24 WeakPolarHBondContact O-CG2 3.33Å; F20-T24 PolarHBondContact O-N 3.26Å; F20-T24 PolarHBondContact O-OG1 3.31Å; F20-T24 VanDerWaalsContact O-OG1 3.09Å; N21-T24 WeakPolarHBondContact CA-OG1 3.41Å; N21-T24 PolarHBondContact O-OG1 3.15Å; T24-N27 PolarHBondContact O-N 2.97Å; T24-M28 WeakPolarHBondContact O-CB 3.47Å; T24-M28 WeakPolarHBondContact O-CG 3.18Å; T24-M28 PolarHBondContact O-N 2.8Å
25	L	49.6	Very low	53.7	Low	115 Å²	115	99 Å²	99	60%	0.602	51%	0.508	S	S	*	.	H	α-helix	trans	-63.1	-43.3	174	-124.8	87.1	0	0	0	112.1	N21 L22 I23 M28 Q29	N21-L25 WeakPolarHBondContact O-CB 3.12Å; N21-L25 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 3Å; I23-L25 PolarHBondContact O-N 3.04Å; L25-M28 PolarHBondContact O-N 2.71Å; L25-Q29 PolarHBondContact O-N 3.19Å
26	G	50.5	Low	52.9	Low	37 Å²	37	96.6 Å²	96.6	38%	0.381	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.6	0	0	0	0	0	112.4	L22 I23 Q29	L22-G26 PolarHBondContact O-N 2.72Å; I23-G26 PolarHBondContact O-N 3.25Å; G26-Q29 PolarHBondContact O-N 3.11Å
27	N	49.4	Very low	51.9	Low	102 Å²	102	98.5 Å²	98.5	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-68.9	-34.9	177.6	-73.2	-12	0	0	0	112.6	I23 T24 Q29 S30 L31	I23-N27 PolarHBondContact O-N 3.09Å; T24-N27 PolarHBondContact O-N 2.97Å; N27-Q29 VanDerWaalsContact C-N 3.32Å; N27-Q29 PolarHBondContact O-N 3.04Å; N27-S30 WeakPolarHBondContact O-CB 3.35Å; N27-S30 PolarHBondContact O-N 2.87Å; N27-L31 PolarHBondContact O-N 3.25Å
28	M	42.6	Very low	51.3	Low	104 Å²	104	96.4 Å²	96.4	51%	0.512	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-37.8	175.5	-74.2	-99.9	-83.9	0	0	111.9	T24 L25 S30 L31 F32	T24-M28 WeakPolarHBondContact O-CB 3.47Å; T24-M28 WeakPolarHBondContact O-CG 3.18Å; T24-M28 PolarHBondContact O-N 2.8Å; L25-M28 PolarHBondContact O-N 2.71Å; M28-S30 VanDerWaalsContact C-N 3.29Å; M28-S30 PolarHBondContact O-N 3.5Å; M28-L31 PolarHBondContact O-N 3.09Å; M28-F32 HydrophobicContact CB-CD2 4.4Å; M28-F32 HydrophobicContact CB-CE2 4.39Å; M28-F32 HydrophobicContact CE-CE2 4.1Å; M28-F32 WeakPolarHBondContact O-CD2 3.4Å; M28-F32 PolarHBondContact O-N 3.19Å; M28-F32 HydrophobicContact SD-CE2 4.26Å
29	Q	46.4	Very low	50.8	Low	139 Å²	139	97.1 Å²	97.1	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-61	-38.1	176.8	-70.3	179.6	-4.3	0	0	112.4	L25 G26 N27 S33	L25-Q29 PolarHBondContact O-N 3.19Å; G26-Q29 PolarHBondContact O-N 3.11Å; N27-Q29 VanDerWaalsContact C-N 3.32Å; N27-Q29 PolarHBondContact O-N 3.04Å; Q29-S33 WeakPolarHBondContact O-CB 3.34Å; Q29-S33 PolarHBondContact O-N 3.3Å; Q29-S33 VanDerWaalsContact O-N 3.08Å; Q29-S33 PolarHBondContact O-OG 3.4Å; Q29-S33 VanDerWaalsContact O-OG 3.08Å
30	S	50	Low	50.1	Low	77 Å²	77	94.8 Å²	94.8	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-45.8	174.5	160.1	0	0	0	0	111.5	N27 M28 S33 H34	N27-S30 WeakPolarHBondContact O-CB 3.35Å; N27-S30 PolarHBondContact O-N 2.87Å; M28-S30 VanDerWaalsContact C-N 3.29Å; M28-S30 PolarHBondContact O-N 3.5Å; S30-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-OG 3.47Å; S30-H34 PolarHBondContact O-N 2.97Å; S30-H34 VanDerWaalsContact O-N 3.09Å
31	L	49.8	Very low	49.7	Very low	107 Å²	107	94 Å²	94	56%	0.56	50%	0.495	S	S	*	.	H	α-helix	trans	-64.4	-44.6	179.6	-103.4	142.3	0	0	0	112.8	N27 M28 S33 H34 Q35	N27-L31 PolarHBondContact O-N 3.25Å; M28-L31 PolarHBondContact O-N 3.09Å; L31-S33 PolarHBondContact O-N 3.04Å; L31-H34 PolarHBondContact O-N 2.99Å; L31-Q35 PolarHBondContact O-N 2.95Å
32	F	46.5	Very low	49.5	Very low	122 Å²	122	95.4 Å²	95.4	54%	0.535	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-42.5	177	-81.9	-67.5	0	0	0	111.8	M28 H34 Q35 L36	M28-F32 HydrophobicContact CB-CD2 4.4Å; M28-F32 HydrophobicContact CB-CE2 4.39Å; M28-F32 HydrophobicContact CE-CE2 4.1Å; M28-F32 WeakPolarHBondContact O-CD2 3.4Å; M28-F32 PolarHBondContact O-N 3.19Å; M28-F32 HydrophobicContact SD-CE2 4.26Å; F32-H34 VanDerWaalsContact C-N 3.31Å; F32-H34 PolarHBondContact O-N 2.92Å; F32-Q35 PolarHBondContact O-N 3.13Å; F32-L36 VanDerWaalsContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CB 3.48Å; F32-L36 PolarHBondContact O-N 3.39Å
33	S	46.5	Very low	49.1	Very low	64 Å²	64	92.4 Å²	92.4	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-36.1	178.9	59.9	0	0	0	0	112.3	Q29 S30 L31 M37	Q29-S33 WeakPolarHBondContact O-CB 3.34Å; Q29-S33 PolarHBondContact O-N 3.3Å; Q29-S33 VanDerWaalsContact O-N 3.08Å; Q29-S33 PolarHBondContact O-OG 3.4Å; Q29-S33 VanDerWaalsContact O-OG 3.08Å; S30-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-OG 3.47Å; L31-S33 PolarHBondContact O-N 3.04Å; S33-M37 WeakPolarHBondContact O-CB 3.24Å; S33-M37 WeakPolarHBondContact O-CG 3.1Å; S33-M37 PolarHBondContact O-N 3Å
34	H	47.5	Very low	48.6	Very low	130 Å²	130	92 Å²	92	60%	0.602	49%	0.493	S	S	*	.	H	α-helix	trans	-68.9	-45.7	176.8	-131.4	48	0	0	0	112.8	S30 L31 F32 L36 M37 Q38	S30-H34 PolarHBondContact O-N 2.97Å; S30-H34 VanDerWaalsContact O-N 3.09Å; L31-H34 PolarHBondContact O-N 2.99Å; F32-H34 VanDerWaalsContact C-N 3.31Å; F32-H34 PolarHBondContact O-N 2.92Å; H34-L36 VanDerWaalsContact C-N 3.34Å; H34-L36 PolarHBondContact O-N 2.96Å; H34-M37 PolarHBondContact O-N 2.99Å; H34-Q38 WeakPolarHBondContact O-CG 3.35Å; H34-Q38 PolarHBondContact O-N 3.44Å
35	Q	49.7	Very low	48.4	Very low	112 Å²	112	96.7 Å²	96.7	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-40	176	-77.9	-173.2	-26.9	0	0	112.3	L31 F32 Q38 T39	L31-Q35 PolarHBondContact O-N 2.95Å; F32-Q35 PolarHBondContact O-N 3.13Å; Q35-Q38 PolarHBondContact O-N 3.28Å; Q35-T39 PolarHBondContact O-N 3.16Å; Q35-T39 PolarHBondContact O-OG1 2.79Å
36	L	47	Very low	48.3	Very low	75 Å²	75	98.2 Å²	98.2	39%	0.393	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-41.6	179.5	-144	162.6	0	0	0	110.5	F32 H34 T39 I40	F32-L36 VanDerWaalsContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CB 3.48Å; F32-L36 PolarHBondContact O-N 3.39Å; H34-L36 VanDerWaalsContact C-N 3.34Å; H34-L36 PolarHBondContact O-N 2.96Å; L36-T39 PolarHBondContact O-N 3.49Å; L36-I40 HydrophobicContact CD2-CD1 3.41Å; L36-I40 VanDerWaalsContact CD2-CD1 3.41Å; L36-I40 HydrophobicContact CD2-CG1 4.07Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 3.02Å
37	M	48.6	Very low	48	Very low	103 Å²	103	99.3 Å²	99.3	51%	0.507	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-47.9	173.2	-81.6	-77.5	-80.7	0	0	112.4	S33 H34 T39 I40 E41	S33-M37 WeakPolarHBondContact O-CB 3.24Å; S33-M37 WeakPolarHBondContact O-CG 3.1Å; S33-M37 PolarHBondContact O-N 3Å; H34-M37 PolarHBondContact O-N 2.99Å; M37-T39 VanDerWaalsContact C-N 3.31Å; M37-T39 PolarHBondContact O-N 2.92Å; M37-I40 PolarHBondContact O-N 3.33Å; M37-E41 PolarHBondContact O-N 3.46Å
38	Q	54.1	Low	47.6	Very low	114 Å²	114	103.2 Å²	103.2	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-58.6	-43	176.9	-75.5	-178.7	-11.8	0	0	112	H34 Q35 I40 E41 T42	H34-Q38 WeakPolarHBondContact O-CG 3.35Å; H34-Q38 PolarHBondContact O-N 3.44Å; Q35-Q38 PolarHBondContact O-N 3.28Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 PolarHBondContact O-N 3.5Å; Q38-E41 PolarHBondContact O-N 3.02Å; Q38-T42 PolarHBondContact O-N 3.21Å; Q38-T42 PolarHBondContact O-OG1 3.05Å; Q38-T42 VanDerWaalsContact O-OG1 3.1Å
39	T	49.6	Very low	47.8	Very low	92 Å²	92	103.1 Å²	103.1	56%	0.564	53%	0.527	S	S	*	.	H	α-helix	trans	-64.2	-38.7	179.1	-49.6	0	0	0	0	111.7	Q35 L36 M37 T42 A43	Q35-T39 PolarHBondContact O-N 3.16Å; Q35-T39 PolarHBondContact O-OG1 2.79Å; L36-T39 PolarHBondContact O-N 3.49Å; M37-T39 VanDerWaalsContact C-N 3.31Å; M37-T39 PolarHBondContact O-N 2.92Å; T39-T42 WeakPolarHBondContact CA-OG1 3.43Å; T39-T42 PolarHBondContact O-OG1 3.09Å; T39-A43 WeakPolarHBondContact O-CB 3.37Å; T39-A43 PolarHBondContact O-N 3.27Å; T39-A43 VanDerWaalsContact O-N 3.1Å
40	I	47.6	Very low	47.7	Very low	43 Å²	43	99.4 Å²	99.4	22%	0.221	52%	0.52	C	S	.	.	H	α-helix	trans	-67.3	-44.2	176.2	-69.2	164.5	0	0	0	110.8	L36 M37 Q38 T42 A43 Q44 Y77	L36-I40 HydrophobicContact CD2-CD1 3.41Å; L36-I40 VanDerWaalsContact CD2-CD1 3.41Å; L36-I40 HydrophobicContact CD2-CG1 4.07Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 3.02Å; M37-I40 PolarHBondContact O-N 3.33Å; Q38-I40 VanDerWaalsContact C-N 3.33Å; Q38-I40 PolarHBondContact O-N 3.5Å; I40-T42 PolarHBondContact O-N 2.85Å; I40-A43 PolarHBondContact O-N 3.37Å; I40-Q44 HydrophobicContact CG2-CG 4.39Å; I40-Q44 WeakPolarHBondContact O-CG 3.34Å; I40-Q44 PolarHBondContact O-N 3.44Å; I40-Y77 HydrophobicContact CD1-CE1 4.38Å
41	E	51.6	Low	47.2	Very low	120 Å²	120	100.6 Å²	100.6	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-61	-43.3	177.9	-76.8	-177.4	176.5	0	0	112	M37 Q38 Q44 K45	M37-E41 PolarHBondContact O-N 3.46Å; Q38-E41 PolarHBondContact O-N 3.02Å; E41-Q44 PolarHBondContact O-N 3.36Å; E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 3.22Å
42	T	51.2	Low	46.5	Very low	86 Å²	86	103.5 Å²	103.5	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.2	47.1	0	0	0	0	112.2	Q38 T39 I40 Q44 K45 E46	Q38-T42 PolarHBondContact O-N 3.21Å; Q38-T42 PolarHBondContact O-OG1 3.05Å; Q38-T42 VanDerWaalsContact O-OG1 3.1Å; T39-T42 WeakPolarHBondContact CA-OG1 3.43Å; T39-T42 PolarHBondContact O-OG1 3.09Å; I40-T42 PolarHBondContact O-N 2.85Å; T42-Q44 VanDerWaalsContact C-N 3.33Å; T42-Q44 PolarHBondContact O-N 3.23Å; T42-K45 PolarHBondContact O-N 3.39Å; T42-E46 PolarHBondContact O-N 3.5Å
43	A	46.5	Very low	46.1	Very low	53 Å²	53	103.4 Å²	103.4	44%	0.438	54%	0.544	S	S	.	.	H	α-helix	trans	-65.1	-36.8	178.3	0	0	0	0	0	112.2	T39 I40 A47	T39-A43 WeakPolarHBondContact O-CB 3.37Å; T39-A43 PolarHBondContact O-N 3.27Å; T39-A43 VanDerWaalsContact O-N 3.1Å; I40-A43 PolarHBondContact O-N 3.37Å; A43-A47 WeakPolarHBondContact O-CB 3.33Å; A43-A47 PolarHBondContact O-N 2.94Å
44	Q	43.7	Very low	45.6	Very low	88 Å²	88	108.3 Å²	108.3	41%	0.411	56%	0.561	S	S	.	*	H	α-helix	trans	-67.2	-39.3	174.5	-74.1	-176.5	7.4	0	0	112.2	I40 E41 T42 A47 R48	I40-Q44 HydrophobicContact CG2-CG 4.39Å; I40-Q44 WeakPolarHBondContact O-CG 3.34Å; I40-Q44 PolarHBondContact O-N 3.44Å; E41-Q44 PolarHBondContact O-N 3.36Å; T42-Q44 VanDerWaalsContact C-N 3.33Å; T42-Q44 PolarHBondContact O-N 3.23Å; Q44-A47 PolarHBondContact O-N 3.35Å; Q44-R48 PolarHBondContact O-N 3.04Å
45	K	48.1	Very low	45.1	Very low	147 Å²	147	110.8 Å²	110.8	64%	0.639	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-42.4	177	-168	177	-179.1	-179.2	0	111.7	E41 T42 R48 N49	E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 3.22Å; T42-K45 PolarHBondContact O-N 3.39Å; K45-R48 PolarHBondContact O-N 3.46Å; K45-N49 PolarHBondContact O-N 3.33Å; K45-N49 VanDerWaalsContact O-N 3.11Å
46	E	47.2	Very low	44.2	Very low	147 Å²	147	117 Å²	117	69%	0.687	59%	0.591	S	S	*	*	H	α-helix	trans	-62.7	-43	173.3	-82.7	-172.9	157.6	0	0	112.3	T42 R48 N49 A50	T42-E46 PolarHBondContact O-N 3.5Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.43Å; E46-N49 PolarHBondContact O-N 2.99Å; E46-A50 WeakPolarHBondContact O-CB 3.47Å; E46-A50 PolarHBondContact O-N 3.43Å
47	A	43.9	Very low	43.5	Very low	60 Å²	60	122.1 Å²	122.1	50%	0.496	61%	0.613	S	S	.	*	H	α-helix	trans	-60.9	-39.7	177.8	0	0	0	0	0	112.5	A43 Q44 T51	A43-A47 WeakPolarHBondContact O-CB 3.33Å; A43-A47 PolarHBondContact O-N 2.94Å; Q44-A47 PolarHBondContact O-N 3.35Å; A47-T51 PolarHBondContact O-N 3.37Å; A47-T51 PolarHBondContact O-OG1 2.86Å
48	R	40.7	Very low	42.7	Very low	185 Å²	185	126.3 Å²	126.3	70%	0.698	63%	0.631	S	S	*	*	H	α-helix	trans	-64.7	-40.7	173.9	-84	-173.7	176.2	178.9	-0.5	112.8	Q44 K45 E46 T51	Q44-R48 PolarHBondContact O-N 3.04Å; K45-R48 PolarHBondContact O-N 3.46Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.43Å; R48-T51 PolarHBondContact O-OG1 3.24Å
49	N	47.3	Very low	41.7	Very low	101 Å²	101	124.9 Å²	124.9	54%	0.54	65%	0.647	S	S	.	*	H	α-helix	trans	-68.7	-39.5	178.8	-75.9	-9.1	0	0	0	111.6	K45 E46 T51 H52 T53	K45-N49 PolarHBondContact O-N 3.33Å; K45-N49 VanDerWaalsContact O-N 3.11Å; E46-N49 PolarHBondContact O-N 2.99Å; N49-T51 VanDerWaalsContact C-N 3.28Å; N49-T51 PolarHBondContact O-N 3.35Å; N49-H52 PolarHBondContact O-N 3Å; N49-T53 PolarHBondContact O-OG1 2.74Å
50	A	44	Very low	40.9	Very low	61 Å²	61	127 Å²	127	50%	0.504	66%	0.659	S	S	.	*	H	α-helix	trans	-60	-38.2	178.5	0	0	0	0	0	112.3	E46 H52 T53	E46-A50 WeakPolarHBondContact O-CB 3.47Å; E46-A50 PolarHBondContact O-N 3.43Å; A50-H52 PolarHBondContact O-N 3.32Å; A50-T53 PolarHBondContact O-N 2.74Å; A50-T53 PolarHBondContact O-OG1 2.89Å; A50-T53 VanDerWaalsContact O-OG1 3.05Å
51	T	40.3	Very low	40.1	Very low	103 Å²	103	129.3 Å²	129.3	63%	0.632	68%	0.679	S	S	*	*	H	α-helix	trans	-68.2	-20.9	175.4	43	0	0	0	0	113.8	A47 R48 N49	A47-T51 PolarHBondContact O-N 3.37Å; A47-T51 PolarHBondContact O-OG1 2.86Å; R48-T51 PolarHBondContact O-OG1 3.24Å; N49-T51 VanDerWaalsContact C-N 3.28Å; N49-T51 PolarHBondContact O-N 3.35Å
52	H	35.2	Very low	39.2	Very low	167 Å²	167	134.2 Å²	134.2	77%	0.773	70%	0.699	S	S	*	*	H	α-helix	trans	-81.2	-23.6	-179.2	-131.2	14.3	0	0	0	113.2	N49 A50 Q54	N49-H52 PolarHBondContact O-N 3Å; A50-H52 PolarHBondContact O-N 3.32Å; H52-Q54 PolarHBondContact O-N 3.45Å
53	T	37.2	Very low	38.4	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-8.9	-177.8	20.2	0	0	0	0	115.2	N49 A50	N49-T53 PolarHBondContact O-OG1 2.74Å; A50-T53 PolarHBondContact O-N 2.74Å; A50-T53 PolarHBondContact O-OG1 2.89Å; A50-T53 VanDerWaalsContact O-OG1 3.05Å
54	Q	37.6	Very low	37.7	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-6.4	-171.6	-145	170.4	-4.3	0	0	115	H52	H52-Q54 PolarHBondContact O-N 3.45Å
55	E	35.7	Very low	37	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	75%	0.747	S	S	*	*			trans	-112.9	61.8	178.6	-66.7	-176.4	-178.5	0	0	111
56	R	30.1	Very low	36.2	Very low	244 Å²	244	145.1 Å²	145.1	92%	0.921	75%	0.749	S	S	*	*			trans	-108	47.7	158.1	-152.6	-176.6	-163	-175.8	4.6	109
57	E	33.7	Very low	35.3	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	75%	0.752	S	S	*	*			trans	-104.5	132.1	166	-74.1	-171.4	174.2	0	0	108.9
58	E	32.5	Very low	34.6	Very low	192 Å²	192	148.6 Å²	148.6	90%	0.897	76%	0.764	S	S	*	*	S	Bend	trans	-68.9	139.9	-162.2	-61.4	169.9	149.9	0	0	112.1
59	G	32.4	Very low	34	Very low	83 Å²	83	144 Å²	144	86%	0.856	76%	0.759	S	S	*	*			trans	97.7	4.2	145.6	0	0	0	0	0	119.2
60	V	31.7	Very low	33.2	Very low	136 Å²	136	144.7 Å²	144.7	82%	0.824	76%	0.763	S	S	*	*			trans	-89	121.2	174.5	-173.3	0	0	0	0	110.4
61	S	32.3	Very low	32.6	Very low	93 Å²	93	148.5 Å²	148.5	65%	0.65	77%	0.772	S	S	*	*			trans	-35.7	145.6	179.8	45.9	0	0	0	0	114.7	S63	S61-S63 PolarHBondContact O-N 3.4Å
62	K	32	Very low	32.3	Very low	222 Å²	222	151.3 Å²	151.3	97%	0.965	78%	0.778	S	S	*	*			trans	-59.8	50.9	169.7	-68.5	176.6	174.4	175.4	0	112.7	R64	K62-R64 PolarHBondContact O-N 2.87Å
63	S	33.7	Very low	32.5	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	75%	0.752	S	S	*	*			trans	-64.8	103.1	166.6	166.2	0	0	0	0	105.6	S61 E65	S61-S63 PolarHBondContact O-N 3.4Å; S63-E65 PolarHBondContact O-N 3.43Å
64	R	32.3	Very low	32.8	Very low	227 Å²	227	144.1 Å²	144.1	86%	0.857	75%	0.75	S	S	*	*			trans	10.2	110	159	-73.4	174.6	170.1	156.8	-2.3	111.7	K62 S66	K62-R64 PolarHBondContact O-N 2.87Å; R64-S66 VanDerWaalsContact C-N 3.26Å; R64-S66 PolarHBondContact O-N 3.46Å
65	E	29.8	Very low	33.3	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	72%	0.723	S	S	*	*			trans	-23.2	98.4	157.1	-77.7	166	141.6	0	0	107.6	S63 D67	S63-E65 PolarHBondContact O-N 3.43Å; E65-D67 PolarHBondContact O-N 3.38Å
66	S	29.9	Very low	33.9	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	72%	0.718	S	S	*	*			trans	-65.2	94.9	156.6	41.9	0	0	0	0	100.1	R64 L68	R64-S66 VanDerWaalsContact C-N 3.26Å; R64-S66 PolarHBondContact O-N 3.46Å; S66-L68 PolarHBondContact O-N 2.99Å
67	D	29.5	Very low	34.7	Very low	140 Å²	140	129.9 Å²	129.9	75%	0.749	69%	0.693	S	S	*	*			trans	-53.6	80.6	154.6	-87.3	-28	0	0	0	103.8	E65 S69	E65-D67 PolarHBondContact O-N 3.38Å; D67-S69 PolarHBondContact O-N 3.01Å
68	L	28.9	Very low	35.3	Very low	140 Å²	140	125.1 Å²	125.1	73%	0.733	67%	0.668	S	S	*	*			trans	-69.7	69.7	161.7	-151.7	88.6	0	0	0	101.8	S66 L70	S66-L68 PolarHBondContact O-N 2.99Å; L68-L70 HydrophobicContact CD2-CD1 4.4Å; L68-L70 PolarHBondContact O-N 3.08Å
69	S	27	Very low	36	Very low	87 Å²	87	121.8 Å²	121.8	61%	0.608	66%	0.656	S	S	*	*			trans	-61.5	93.9	162.7	82.6	0	0	0	0	101.1	D67 M71	D67-S69 PolarHBondContact O-N 3.01Å; S69-M71 PolarHBondContact O-N 3.48Å
70	L	30.9	Very low	36.8	Very low	116 Å²	116	121.5 Å²	121.5	61%	0.607	63%	0.631	S	S	*	*			trans	-61.1	85.5	166.7	-153.8	87.5	0	0	0	101.9	L68 Q72	L68-L70 HydrophobicContact CD2-CD1 4.4Å; L68-L70 PolarHBondContact O-N 3.08Å; L70-Q72 VanDerWaalsContact C-N 3.32Å; L70-Q72 PolarHBondContact O-N 3.08Å
71	M	32.7	Very low	37.7	Very low	142 Å²	142	124.1 Å²	124.1	70%	0.7	63%	0.626	S	S	*	*			trans	-55.4	110.5	177.5	-72	-145.1	89.9	0	0	102.7	S69 T73	S69-M71 PolarHBondContact O-N 3.48Å; M71-T73 PolarHBondContact O-N 3.31Å
72	Q	33.7	Very low	38.4	Very low	162 Å²	162	122 Å²	122	76%	0.757	61%	0.608	S	S	*	*			trans	-59.1	96.9	176.7	-90.1	178.9	-38.6	0	0	104.4	L70 S74	L70-Q72 VanDerWaalsContact C-N 3.32Å; L70-Q72 PolarHBondContact O-N 3.08Å; Q72-S74 PolarHBondContact O-N 3Å; Q72-S74 VanDerWaalsContact O-N 3.09Å
73	T	39.7	Very low	39.3	Very low	39 Å²	39	115.5 Å²	115.5	24%	0.239	59%	0.59	C	S	.	*			trans	-57.5	121.7	177.2	-5.4	0	0	0	0	103.9	M71 G75 G99 I106	M71-T73 PolarHBondContact O-N 3.31Å; T73-G75 PolarHBondContact O-N 2.93Å; T73-G99 VanDerWaalsContact CG2-O 3.31Å; T73-G99 WeakPolarHBondContact CG2-O 3.5Å; T73-I106 HydrophobicContact CG2-CD1 4.26Å
74	S	43.2	Very low	39.9	Very low	97 Å²	97	112.7 Å²	112.7	68%	0.678	57%	0.567	S	S	*	*			trans	-63.5	83.1	-179.4	52.7	0	0	0	0	108.4	Q72	Q72-S74 PolarHBondContact O-N 3Å; Q72-S74 VanDerWaalsContact O-N 3.09Å
75	G	48.2	Very low	40.5	Very low	21 Å²	21	111.5 Å²	111.5	22%	0.216	57%	0.568	C	S	.	*			trans	-81	148	179	0	0	0	0	0	109.8	T73 F96 S97	T73-G75 PolarHBondContact O-N 2.93Å; G75-F96 WeakPolarHBondContact O-CE2 3.17Å; G75-S97 WeakPolarHBondContact CA-O 3.45Å
76	K	46.9	Very low	41.3	Very low	174 Å²	174	107.6 Å²	107.6	76%	0.757	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.2	135.2	171.6	-69.6	-177.3	179.9	176.6	0	108.4	S97	K76-S97 PolarHBondContact N-O 3.39Å; K76-S97 PolarHBondContact O-N 3.45Å
77	Y	47.6	Very low	42	Very low	99 Å²	99	106.6 Å²	106.6	39%	0.388	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.3	136.3	165.8	-69	-84.1	0	0	0	109.2	I40 L94 F95 F96	I40-Y77 HydrophobicContact CD1-CE1 4.38Å; Y77-L94 HydrophobicContact CD1-CD2 3.45Å; Y77-L94 VanDerWaalsContact CD1-CD2 3.45Å; Y77-L94 HydrophobicContact CD1-CG 3.83Å; Y77-L94 HydrophobicContact CE1-CD2 4.15Å; Y77-L94 HydrophobicContact CG-CD2 3.88Å; Y77-L94 HydrophobicContact CG-CG 4.26Å; Y77-F95 CarbonylContact C-O 3.52Å; Y77-F95 WeakPolarHBondContact CA-O 3.34Å; Y77-F96 HydrophobicContact CD1-CB 3.9Å; Y77-F96 AromaticContact CD1-CD2 3.82Å; Y77-F96 HydrophobicContact CD1-CD2 3.82Å; Y77-F96 HydrophobicContact CD1-CG 4.34Å; Y77-F96 AromaticContact CD2-CD2 3.79Å; Y77-F96 HydrophobicContact CD2-CD2 3.79Å; Y77-F96 HydrophobicContact CD2-CE2 4.18Å; Y77-F96 HydrophobicContact CE1-CB 3.61Å; Y77-F96 AromaticContact CE1-CD2 3.53Å; Y77-F96 HydrophobicContact CE1-CD2 3.53Å; Y77-F96 AromaticContact CE1-CG 3.91Å; Y77-F96 HydrophobicContact CE1-CG 3.91Å; Y77-F96 AromaticContact CE2-CD2 3.47Å; Y77-F96 HydrophobicContact CE2-CD2 3.47Å; Y77-F96 VanDerWaalsContact CE2-CD2 3.47Å; Y77-F96 AromaticContact CE2-CE2 3.71Å; Y77-F96 HydrophobicContact CE2-CE2 3.71Å; Y77-F96 AromaticContact CG-CD2 3.95Å; Y77-F96 HydrophobicContact CG-CD2 3.95Å; Y77-F96 AromaticContact CZ-CD2 3.33Å; Y77-F96 AromaticContact CZ-CE2 3.9Å
78	Y	46.1	Very low	42.7	Very low	81 Å²	81	102.9 Å²	102.9	32%	0.318	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.6	143.1	173.6	66.3	-77.2	0	0	0	110.4	K80 F95	Y78-K80 HydrophobicContact CD2-CB 4.16Å; Y78-K80 HydrophobicContact CE2-CB 3.92Å; Y78-K80 HydrophobicContact CE2-CD 3.99Å; Y78-K80 HydrophobicContact CE2-CG 4.3Å; Y78-F95 HydrophobicContact CD1-CB 4Å; Y78-F95 WeakPolarHBondContact CD1-O 3.2Å; Y78-F95 HydrophobicContact CD2-CB 4.43Å; Y78-F95 HydrophobicContact CE1-CB 3.53Å; Y78-F95 HydrophobicContact CE2-CB 4.07Å; Y78-F95 HydrophobicContact CE2-CG 4.43Å; Y78-F95 HydrophobicContact CG-CB 4.41Å; Y78-F95 PolarHBondContact N-O 2.91Å; Y78-F95 PolarHBondContact O-N 2.79Å
79	N	48.6	Very low	43.4	Very low	121 Å²	121	99.9 Å²	99.9	65%	0.647	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.9	173.4	-76.3	-25.5	0	0	0	109.2	L94	N79-L94 WeakPolarHBondContact OD1-CD1 3.42Å
80	K	49.3	Very low	44.2	Very low	78 Å²	78	105.4 Å²	105.4	34%	0.339	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.9	174.2	-167	-170.6	-163.6	169.5	0	110.1	Y78 L82 G93 F95	Y78-K80 HydrophobicContact CD2-CB 4.16Å; Y78-K80 HydrophobicContact CE2-CB 3.92Å; Y78-K80 HydrophobicContact CE2-CD 3.99Å; Y78-K80 HydrophobicContact CE2-CG 4.3Å; K80-L82 HydrophobicContact CD-CD1 4.42Å; K80-L82 HydrophobicContact CD-CD2 4.19Å; K80-L82 HydrophobicContact CD-CG 4.18Å; K80-L82 HydrophobicContact CG-CG 4.43Å; K80-G93 PolarHBondContact N-O 2.84Å; K80-G93 VanDerWaalsContact N-O 3.1Å; K80-G93 PolarHBondContact O-N 3.1Å; K80-F95 HydrophobicContact CB-CD2 3.54Å; K80-F95 HydrophobicContact CB-CE2 3.45Å; K80-F95 VanDerWaalsContact CB-CE2 3.45Å; K80-F95 HydrophobicContact CB-CG 4.25Å; K80-F95 HydrophobicContact CB-CZ 3.99Å; K80-F95 HydrophobicContact CD-CE1 4.19Å; K80-F95 HydrophobicContact CD-CE2 4.39Å; K80-F95 HydrophobicContact CD-CZ 4.09Å; K80-F95 HydrophobicContact CG-CE2 4.39Å; K80-F95 HydrophobicContact CG-CZ 4.49Å; K80-F95 WeakPolarHBondContact O-CE2 3.23Å
81	R	49	Very low	44.8	Very low	190 Å²	190	101.5 Å²	101.5	72%	0.717	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.3	171.2	-67.6	177.6	-179.7	171	-1.2	108.5	Y91 E92	R81-Y91 CarbonylContact C-O 3.58Å; R81-Y91 WeakPolarHBondContact CA-O 3.4Å; R81-E92 HydrophobicContact CG-CB 4.12Å; R81-E92 HydrophobicContact CG-CG 3.84Å; R81-E92 IonicContact CZ-OE1 3.26Å; R81-E92 VanDerWaalsContact CZ-OE1 3.26Å; R81-E92 IonicContact CZ-OE2 3.77Å; R81-E92 IonicContact NE-OE1 2.79Å; R81-E92 PolarHBondContact NE-OE1 2.98Å; R81-E92 IonicContact NE-OE2 3.24Å; R81-E92 PolarHBondContact NE-OE2 3.1Å; R81-E92 IonicContact NH2-OE1 2.84Å; R81-E92 PolarHBondContact NH2-OE1 3.32Å; R81-E92 IonicContact NH2-OE2 3.6Å
82	L	48.5	Very low	45.3	Very low	49 Å²	49	99.4 Å²	99.4	26%	0.257	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.6	174	-70.1	173.2	0	0	0	109.1	K80 R90 Y91 F95 I152	K80-L82 HydrophobicContact CD-CD1 4.42Å; K80-L82 HydrophobicContact CD-CD2 4.19Å; K80-L82 HydrophobicContact CD-CG 4.18Å; K80-L82 HydrophobicContact CG-CG 4.43Å; L82-R90 CarbonylContact O-C 3.51Å; L82-R90 WeakPolarHBondContact O-CA 3.36Å; L82-Y91 PolarHBondContact N-O 3.23Å; L82-Y91 PolarHBondContact O-N 2.93Å; L82-Y91 VanDerWaalsContact O-O 3.11Å; L82-F95 HydrophobicContact CD1-CE1 4.15Å; L82-F95 HydrophobicContact CD1-CZ 3.82Å; L82-F95 HydrophobicContact CG-CZ 4.43Å; L82-I152 HydrophobicContact CD1-CD1 3.96Å
83	S	48.9	Very low	45.8	Very low	86 Å²	86	92.3 Å²	92.3	60%	0.601	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.7	171.9	57.3	0	0	0	0	109.1	K89	S83-K89 WeakPolarHBondContact CA-O 3.35Å
84	N	46.4	Very low	46	Very low	40 Å²	40	93.7 Å²	93.7	21%	0.214	48%	0.481	C	S	.	.			trans	-96.8	113	171.5	-179.5	-21.2	0	0	0	108	A86 T87 G88 K89 Y91 I209	N84-A86 VanDerWaalsContact C-N 3.3Å; N84-A86 PolarHBondContact O-N 3.2Å; N84-A86 WeakPolarHBondContact OD1-CB 3.42Å; N84-A86 PolarHBondContact OD1-N 3.02Å; N84-T87 WeakPolarHBondContact CB-OG1 3.5Å; N84-T87 PolarHBondContact ND2-OG1 3.11Å; N84-T87 PolarHBondContact OD1-N 3.1Å; N84-G88 WeakPolarHBondContact O-CA 3.46Å; N84-G88 PolarHBondContact O-N 3.41Å; N84-K89 PolarHBondContact N-O 3.37Å; N84-K89 PolarHBondContact O-N 2.97Å; N84-Y91 HydrophobicContact CB-CE2 3.87Å; N84-I209 WeakPolarHBondContact ND2-CD1 3.27Å
85	K	46.2	Very low	46	Very low	202 Å²	202	89.3 Å²	89.3	88%	0.878	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.3	179.6	-71.5	-174.8	178.3	-179.3	0	112.8
86	A	46	Very low	45.8	Very low	96 Å²	96	90.8 Å²	90.8	79%	0.793	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-39.1	-176.4	0	0	0	0	0	112.3	N84	N84-A86 VanDerWaalsContact C-N 3.3Å; N84-A86 PolarHBondContact O-N 3.2Å; N84-A86 WeakPolarHBondContact OD1-CB 3.42Å; N84-A86 PolarHBondContact OD1-N 3.02Å
87	T	44.3	Very low	45.7	Very low	78 Å²	78	83.9 Å²	83.9	48%	0.479	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.5	-179.7	55.7	0	0	0	0	113.5	N84 K89	N84-T87 WeakPolarHBondContact CB-OG1 3.5Å; N84-T87 PolarHBondContact ND2-OG1 3.11Å; N84-T87 PolarHBondContact OD1-N 3.1Å; T87-K89 PolarHBondContact O-N 3.44Å; T87-K89 VanDerWaalsContact O-N 3.16Å
88	G	43.8	Very low	45.3	Very low	63 Å²	63	84 Å²	84	65%	0.649	42%	0.424	S	S	*	.			trans	67.5	5	-172.9	0	0	0	0	0	114.1	N84	N84-G88 WeakPolarHBondContact O-CA 3.46Å; N84-G88 PolarHBondContact O-N 3.41Å
89	K	44.7	Very low	44.9	Very low	76 Å²	76	81.1 Å²	81.1	33%	0.33	42%	0.42	S	S	.	.			trans	-77.9	134.6	-177.7	-67.3	-178.6	177.9	-174.4	0	110.3	S83 N84 T87 Y91	S83-K89 WeakPolarHBondContact CA-O 3.35Å; N84-K89 PolarHBondContact N-O 3.37Å; N84-K89 PolarHBondContact O-N 2.97Å; T87-K89 PolarHBondContact O-N 3.44Å; T87-K89 VanDerWaalsContact O-N 3.16Å; K89-Y91 HydrophobicContact CB-CE1 4.27Å; K89-Y91 HydrophobicContact CB-CE2 3.85Å; K89-Y91 WeakPolarHBondContact CB-OH 3.48Å; K89-Y91 WeakPolarHBondContact CD-OH 3.49Å
90	R	43.1	Very low	44.4	Very low	203 Å²	203	83.6 Å²	83.6	77%	0.766	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.9	171.2	-64.8	-178.6	177.4	-178.5	-1.4	108.9	L82 Y115	L82-R90 CarbonylContact O-C 3.51Å; L82-R90 WeakPolarHBondContact O-CA 3.36Å; R90-Y115 WeakPolarHBondContact O-CE2 3.21Å
91	Y	43.8	Very low	43.7	Very low	34 Å²	34	82 Å²	82	13%	0.133	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.9	179.9	-50.5	-87.3	0	0	0	108	R81 L82 N84 K89 Y115 F150	R81-Y91 CarbonylContact C-O 3.58Å; R81-Y91 WeakPolarHBondContact CA-O 3.4Å; L82-Y91 PolarHBondContact N-O 3.23Å; L82-Y91 PolarHBondContact O-N 2.93Å; L82-Y91 VanDerWaalsContact O-O 3.11Å; N84-Y91 HydrophobicContact CB-CE2 3.87Å; K89-Y91 HydrophobicContact CB-CE1 4.27Å; K89-Y91 HydrophobicContact CB-CE2 3.85Å; K89-Y91 WeakPolarHBondContact CB-OH 3.48Å; K89-Y91 WeakPolarHBondContact CD-OH 3.49Å; Y91-Y115 AromaticContact CD1-CD2 3.78Å; Y91-Y115 HydrophobicContact CD1-CD2 3.78Å; Y91-Y115 HydrophobicContact CD1-CE2 4.12Å; Y91-Y115 HydrophobicContact CE1-CD2 4.11Å; Y91-Y115 HydrophobicContact CE1-CE2 4.21Å; Y91-F150 HydrophobicContact CD1-CE2 4.31Å; Y91-F150 HydrophobicContact CE1-CD2 4.41Å; Y91-F150 AromaticContact CE1-CE2 3.93Å; Y91-F150 HydrophobicContact CE1-CE2 3.93Å; Y91-F150 HydrophobicContact CE1-CZ 4.37Å
92	E	43.1	Very low	42.9	Very low	98 Å²	98	78.5 Å²	78.5	46%	0.458	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.1	172.4	-179.2	165.4	-162.2	0	0	106.7	R81	R81-E92 HydrophobicContact CG-CB 4.12Å; R81-E92 HydrophobicContact CG-CG 3.84Å; R81-E92 IonicContact CZ-OE1 3.26Å; R81-E92 VanDerWaalsContact CZ-OE1 3.26Å; R81-E92 IonicContact CZ-OE2 3.77Å; R81-E92 IonicContact NE-OE1 2.79Å; R81-E92 PolarHBondContact NE-OE1 2.98Å; R81-E92 IonicContact NE-OE2 3.24Å; R81-E92 PolarHBondContact NE-OE2 3.1Å; R81-E92 IonicContact NH2-OE1 2.84Å; R81-E92 PolarHBondContact NH2-OE1 3.32Å; R81-E92 IonicContact NH2-OE2 3.6Å
93	G	44.4	Very low	42.2	Very low	13 Å²	13	85.7 Å²	85.7	13%	0.134	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	167.9	-177.7	0	0	0	0	0	112.2	K80 F95	K80-G93 PolarHBondContact N-O 2.84Å; K80-G93 VanDerWaalsContact N-O 3.1Å; K80-G93 PolarHBondContact O-N 3.1Å; G93-F95 VanDerWaalsContact O-CD2 3.23Å; G93-F95 WeakPolarHBondContact O-CD2 3.47Å; G93-F95 WeakPolarHBondContact O-CE2 3.28Å
94	L	44.3	Very low	41.5	Very low	68 Å²	68	83.6 Å²	83.6	36%	0.356	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.5	172.6	-166.2	82.3	0	0	0	108.2	Y77 N79 T111	Y77-L94 HydrophobicContact CD1-CD2 3.45Å; Y77-L94 VanDerWaalsContact CD1-CD2 3.45Å; Y77-L94 HydrophobicContact CD1-CG 3.83Å; Y77-L94 HydrophobicContact CE1-CD2 4.15Å; Y77-L94 HydrophobicContact CG-CD2 3.88Å; Y77-L94 HydrophobicContact CG-CG 4.26Å; N79-L94 WeakPolarHBondContact OD1-CD1 3.42Å; L94-T111 WeakPolarHBondContact O-CG2 3.47Å
95	F	43.4	Very low	40.8	Very low	6 Å²	6	86 Å²	86	3%	0.026	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	-177.9	-70.7	-113.1	0	0	0	109.7	Y77 Y78 K80 L82 G93 T111 F113 I152	Y77-F95 CarbonylContact C-O 3.52Å; Y77-F95 WeakPolarHBondContact CA-O 3.34Å; Y78-F95 HydrophobicContact CD1-CB 4Å; Y78-F95 WeakPolarHBondContact CD1-O 3.2Å; Y78-F95 HydrophobicContact CD2-CB 4.43Å; Y78-F95 HydrophobicContact CE1-CB 3.53Å; Y78-F95 HydrophobicContact CE2-CB 4.07Å; Y78-F95 HydrophobicContact CE2-CG 4.43Å; Y78-F95 HydrophobicContact CG-CB 4.41Å; Y78-F95 PolarHBondContact N-O 2.91Å; Y78-F95 PolarHBondContact O-N 2.79Å; K80-F95 HydrophobicContact CB-CD2 3.54Å; K80-F95 HydrophobicContact CB-CE2 3.45Å; K80-F95 VanDerWaalsContact CB-CE2 3.45Å; K80-F95 HydrophobicContact CB-CG 4.25Å; K80-F95 HydrophobicContact CB-CZ 3.99Å; K80-F95 HydrophobicContact CD-CE1 4.19Å; K80-F95 HydrophobicContact CD-CE2 4.39Å; K80-F95 HydrophobicContact CD-CZ 4.09Å; K80-F95 HydrophobicContact CG-CE2 4.39Å; K80-F95 HydrophobicContact CG-CZ 4.49Å; K80-F95 WeakPolarHBondContact O-CE2 3.23Å; L82-F95 HydrophobicContact CD1-CE1 4.15Å; L82-F95 HydrophobicContact CD1-CZ 3.82Å; L82-F95 HydrophobicContact CG-CZ 4.43Å; G93-F95 VanDerWaalsContact O-CD2 3.23Å; G93-F95 WeakPolarHBondContact O-CD2 3.47Å; G93-F95 WeakPolarHBondContact O-CE2 3.28Å; F95-T111 HydrophobicContact CD1-CG2 4.32Å; F95-T111 HydrophobicContact CG-CG2 4.3Å; F95-F113 HydrophobicContact CD1-CZ 4.13Å; F95-F113 HydrophobicContact CD2-CE1 4.47Å; F95-F113 AromaticContact CE1-CE1 3.76Å; F95-F113 HydrophobicContact CE1-CE1 3.76Å; F95-F113 AromaticContact CE1-CZ 3.39Å; F95-F113 HydrophobicContact CE1-CZ 3.39Å; F95-F113 AromaticContact CE2-CE1 3.58Å; F95-F113 HydrophobicContact CE2-CE1 3.58Å; F95-F113 HydrophobicContact CE2-CZ 4.11Å; F95-F113 AromaticContact CZ-CE1 3.2Å; F95-F113 HydrophobicContact CZ-CE1 3.2Å; F95-F113 AromaticContact CZ-CZ 3.39Å; F95-F113 HydrophobicContact CZ-CZ 3.39Å; F95-I152 HydrophobicContact CE1-CD1 4.11Å
96	F	43.9	Very low	40.2	Very low	52 Å²	52	78.5 Å²	78.5	23%	0.228	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.3	169.6	-171	-109.9	0	0	0	109	G75 Y77 R98 T111	G75-F96 WeakPolarHBondContact O-CE2 3.17Å; Y77-F96 HydrophobicContact CD1-CB 3.9Å; Y77-F96 AromaticContact CD1-CD2 3.82Å; Y77-F96 HydrophobicContact CD1-CD2 3.82Å; Y77-F96 HydrophobicContact CD1-CG 4.34Å; Y77-F96 AromaticContact CD2-CD2 3.79Å; Y77-F96 HydrophobicContact CD2-CD2 3.79Å; Y77-F96 HydrophobicContact CD2-CE2 4.18Å; Y77-F96 HydrophobicContact CE1-CB 3.61Å; Y77-F96 AromaticContact CE1-CD2 3.53Å; Y77-F96 HydrophobicContact CE1-CD2 3.53Å; Y77-F96 AromaticContact CE1-CG 3.91Å; Y77-F96 HydrophobicContact CE1-CG 3.91Å; Y77-F96 AromaticContact CE2-CD2 3.47Å; Y77-F96 HydrophobicContact CE2-CD2 3.47Å; Y77-F96 VanDerWaalsContact CE2-CD2 3.47Å; Y77-F96 AromaticContact CE2-CE2 3.71Å; Y77-F96 HydrophobicContact CE2-CE2 3.71Å; Y77-F96 AromaticContact CG-CD2 3.95Å; Y77-F96 HydrophobicContact CG-CD2 3.95Å; Y77-F96 AromaticContact CZ-CD2 3.33Å; Y77-F96 AromaticContact CZ-CE2 3.9Å; F96-R98 HydrophobicContact CD1-CG 3.83Å; F96-R98 HydrophobicContact CE1-CG 3.54Å; F96-R98 PolarHBondContact O-N 3.28Å; F96-T111 PolarHBondContact N-OG1 3.18Å
97	S	44.6	Very low	39.7	Very low	29 Å²	29	79.7 Å²	79.7	20%	0.203	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.6	166.9	-166.7	0	0	0	0	107.6	G75 K76 G99 E109	G75-S97 WeakPolarHBondContact CA-O 3.45Å; K76-S97 PolarHBondContact N-O 3.39Å; K76-S97 PolarHBondContact O-N 3.45Å; S97-G99 PolarHBondContact O-N 3.03Å; S97-E109 WeakPolarHBondContact CA-OE1 3.45Å; S97-E109 VanDerWaalsContact CB-OE1 3.31Å; S97-E109 WeakPolarHBondContact CB-OE1 3.48Å; S97-E109 PolarHBondContact OG-OE1 2.76Å
98	R	39.5	Very low	39.3	Very low	100 Å²	100	77 Å²	77	38%	0.377	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-64.3	120.5	159.8	-73	176	-177.4	176.5	-0.1	105.1	F96 I106	F96-R98 HydrophobicContact CD1-CG 3.83Å; F96-R98 HydrophobicContact CE1-CG 3.54Å; F96-R98 PolarHBondContact O-N 3.28Å; R98-I106 HydrophobicContact CB-CD1 4.43Å; R98-I106 HydrophobicContact CB-CG2 4.4Å
99	G	37.9	Very low	39.1	Very low	22 Å²	22	76.1 Å²	76.1	23%	0.227	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-49.8	156.3	174.7	0	0	0	0	0	111	T73 S97 S101 I106	T73-G99 VanDerWaalsContact CG2-O 3.31Å; T73-G99 WeakPolarHBondContact CG2-O 3.5Å; S97-G99 PolarHBondContact O-N 3.03Å; G99-S101 PolarHBondContact O-N 2.79Å; G99-I106 WeakPolarHBondContact O-CD1 3.36Å
100	Y	37.7	Very low	38.7	Very low	172 Å²	172	75.6 Å²	75.6	68%	0.675	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-62.1	133.1	179.6	-55.7	-85.3	0	0	0	110.3
101	S	34.1	Very low	38.6	Very low	45 Å²	45	66.3 Å²	66.3	32%	0.315	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-89.6	137.3	167.3	178.4	0	0	0	0	109.4	G99 Y103	G99-S101 PolarHBondContact O-N 2.79Å; S101-Y103 PolarHBondContact O-N 3.07Å; S101-Y103 PolarHBondContact OG-N 3.05Å
102	I	31.9	Very low	38.3	Very low	117 Å²	117	69.2 Å²	69.2	60%	0.6	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.4	167.2	40.8	167.7	0	0	0	112.8	G104 Y164	I102-G104 VanDerWaalsContact C-N 3.35Å; I102-G104 PolarHBondContact O-N 3.39Å; I102-Y164 HydrophobicContact CG2-CE2 4.02Å
103	Y	35.2	Very low	38	Very low	199 Å²	199	64.9 Å²	64.9	78%	0.78	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	8.5	-171.2	-67.3	-71	0	0	0	114.9	S101	S101-Y103 PolarHBondContact O-N 3.07Å; S101-Y103 PolarHBondContact OG-N 3.05Å
104	G	32.5	Very low	37.5	Very low	42 Å²	42	70.6 Å²	70.6	43%	0.433	36%	0.363	S	S	.	.	S	Bend	trans	134.1	170.4	179.2	0	0	0	0	0	112.1	I102 I106	I102-G104 VanDerWaalsContact C-N 3.35Å; I102-G104 PolarHBondContact O-N 3.39Å; G104-I106 PolarHBondContact O-N 2.89Å
105	D	31.7	Very low	36.9	Very low	91 Å²	91	68.5 Å²	68.5	49%	0.487	35%	0.351	S	S	.	.			trans	-54.3	113.6	-180	-67	-40.6	0	0	0	109.7	D107 T156	D105-D107 PolarHBondContact O-N 3.45Å; D105-T156 HydrophobicContact CB-CG2 4.06Å; D105-T156 WeakPolarHBondContact OD1-CB 3.43Å
106	I	35.3	Very low	36.2	Very low	45 Å²	45	71.1 Å²	71.1	23%	0.231	38%	0.379	C	S	.	.			trans	-75.4	94	164.6	-59.3	174.4	0	0	0	105.3	T73 R98 G99 G104 S108	T73-I106 HydrophobicContact CG2-CD1 4.26Å; R98-I106 HydrophobicContact CB-CD1 4.43Å; R98-I106 HydrophobicContact CB-CG2 4.4Å; G99-I106 WeakPolarHBondContact O-CD1 3.36Å; G104-I106 PolarHBondContact O-N 2.89Å; I106-S108 PolarHBondContact O-N 2.81Å; I106-S108 VanDerWaalsContact O-N 3.08Å
107	D	34	Very low	35.6	Very low	121 Å²	121	69.2 Å²	69.2	65%	0.647	37%	0.374	S	S	*	.			trans	-57.2	116.2	172.9	-75.8	-29.6	0	0	0	109	D105	D105-D107 PolarHBondContact O-N 3.45Å
108	S	37	Very low	34.9	Very low	20 Å²	20	75.1 Å²	75.1	14%	0.14	40%	0.396	C	S	.	.			trans	72.4	107.1	165.2	71	0	0	0	0	118.3	I106 T110	I106-S108 PolarHBondContact O-N 2.81Å; I106-S108 VanDerWaalsContact O-N 3.08Å; S108-T110 PolarHBondContact O-N 3.3Å; S108-T110 PolarHBondContact OG-OG1 3.35Å
109	E	38.3	Very low	34.7	Very low	45 Å²	45	73.1 Å²	73.1	21%	0.21	39%	0.392	C	S	.	.			trans	-62	79.1	149.8	-70.3	-174.5	154	0	0	109.6	S97 T111 A154	S97-E109 WeakPolarHBondContact CA-OE1 3.45Å; S97-E109 VanDerWaalsContact CB-OE1 3.31Å; S97-E109 WeakPolarHBondContact CB-OE1 3.48Å; S97-E109 PolarHBondContact OG-OE1 2.76Å; E109-T111 PolarHBondContact O-N 3.01Å; E109-A154 HydrophobicContact CB-CB 4.32Å; E109-A154 HydrophobicContact CG-CB 4.23Å
110	T	38.1	Very low	34.6	Very low	65 Å²	65	75 Å²	75	40%	0.399	40%	0.4	S	S	.	.			trans	-74.1	91.6	176.8	-47	0	0	0	0	109	S108 R151	S108-T110 PolarHBondContact O-N 3.3Å; S108-T110 PolarHBondContact OG-OG1 3.35Å; T110-R151 HydrophobicContact CG2-CB 4.46Å; T110-R151 HydrophobicContact CG2-CG 3.97Å
111	T	39.9	Very low	34.7	Very low	8 Å²	8	76 Å²	76	5%	0.049	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.5	171.8	-63.4	0	0	0	0	109.2	L94 F95 F96 E109 F113 F150	L94-T111 WeakPolarHBondContact O-CG2 3.47Å; F95-T111 HydrophobicContact CD1-CG2 4.32Å; F95-T111 HydrophobicContact CG-CG2 4.3Å; F96-T111 PolarHBondContact N-OG1 3.18Å; E109-T111 PolarHBondContact O-N 3.01Å; T111-F113 HydrophobicContact CG2-CE1 4.5Å; T111-F113 HydrophobicContact CG2-CE2 4.15Å; T111-F113 HydrophobicContact CG2-CZ 4.05Å; T111-F113 WeakPolarHBondContact O-CE2 3.34Å; T111-F150 VanDerWaalsContact O-O 3.11Å
112	T	37.7	Very low	34.9	Very low	96 Å²	96	83.3 Å²	83.3	59%	0.589	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	127	171.4	-28.5	0	0	0	0	109.1	D149	T112-D149 HydrophobicContact CG2-CB 4.12Å
113	F	36.9	Very low	35.1	Very low	6 Å²	6	80.9 Å²	80.9	3%	0.026	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-94.8	139.5	178.9	-68.8	-89.2	0	0	0	111	F95 T111 F150 I152	F95-F113 HydrophobicContact CD1-CZ 4.13Å; F95-F113 HydrophobicContact CD2-CE1 4.47Å; F95-F113 AromaticContact CE1-CE1 3.76Å; F95-F113 HydrophobicContact CE1-CE1 3.76Å; F95-F113 AromaticContact CE1-CZ 3.39Å; F95-F113 HydrophobicContact CE1-CZ 3.39Å; F95-F113 AromaticContact CE2-CE1 3.58Å; F95-F113 HydrophobicContact CE2-CE1 3.58Å; F95-F113 HydrophobicContact CE2-CZ 4.11Å; F95-F113 AromaticContact CZ-CE1 3.2Å; F95-F113 HydrophobicContact CZ-CE1 3.2Å; F95-F113 AromaticContact CZ-CZ 3.39Å; F95-F113 HydrophobicContact CZ-CZ 3.39Å; T111-F113 HydrophobicContact CG2-CE1 4.5Å; T111-F113 HydrophobicContact CG2-CE2 4.15Å; T111-F113 HydrophobicContact CG2-CZ 4.05Å; T111-F113 WeakPolarHBondContact O-CE2 3.34Å; F113-F150 HydrophobicContact CB-CD2 4.27Å; F113-F150 HydrophobicContact CD2-CB 4.07Å; F113-F150 WeakPolarHBondContact CD2-O 3.17Å; F113-I152 HydrophobicContact CE1-CD1 4.3Å; F113-I152 HydrophobicContact CE2-CB 4.22Å; F113-I152 HydrophobicContact CE2-CD1 3.58Å; F113-I152 HydrophobicContact CE2-CG1 3.55Å; F113-I152 HydrophobicContact CZ-CD1 3.32Å; F113-I152 HydrophobicContact CZ-CG1 3.87Å
114	Q	34.5	Very low	35.3	Very low	134 Å²	134	80.9 Å²	80.9	63%	0.626	44%	0.437	S	S	*	.			trans	-105	104.9	156.5	-70	-177.2	10.5	0	0	107.5	G116	Q114-G116 PolarHBondContact O-N 3.49Å
115	Y	31.3	Very low	35.6	Very low	24 Å²	24	89.8 Å²	89.8	9%	0.094	46%	0.458	C	S	.	.			trans	-73.1	113.1	178.6	176.9	-92.5	0	0	0	111.2	R90 Y91 G117 I146	R90-Y115 WeakPolarHBondContact O-CE2 3.21Å; Y91-Y115 AromaticContact CD1-CD2 3.78Å; Y91-Y115 HydrophobicContact CD1-CD2 3.78Å; Y91-Y115 HydrophobicContact CD1-CE2 4.12Å; Y91-Y115 HydrophobicContact CE1-CD2 4.11Å; Y91-Y115 HydrophobicContact CE1-CE2 4.21Å; Y115-G117 VanDerWaalsContact CE1-CA 3.4Å; Y115-G117 VanDerWaalsContact CZ-CA 3.49Å; Y115-I146 WeakPolarHBondContact CB-O 2.92Å; Y115-I146 HydrophobicContact CD1-CB 4.16Å; Y115-I146 WeakPolarHBondContact CD1-O 3.31Å; Y115-I146 HydrophobicContact CE1-CB 4.5Å
116	G	28.7	Very low	36	Very low	60 Å²	60	96.8 Å²	96.8	62%	0.619	48%	0.477	S	S	*	.			trans	-104.3	50.6	171.4	0	0	0	0	0	112.3	Q114	Q114-G116 PolarHBondContact O-N 3.49Å
117	G	30	Very low	36.2	Very low	12 Å²	12	106.1 Å²	106.1	12%	0.124	51%	0.51	C	S	.	.			trans	-88.2	129.3	-178.9	0	0	0	0	0	113.6	Y115 I119	Y115-G117 VanDerWaalsContact CE1-CA 3.4Å; Y115-G117 VanDerWaalsContact CZ-CA 3.49Å; G117-I119 PolarHBondContact O-N 2.9Å
118	K	31.5	Very low	36.7	Very low	153 Å²	153	109.5 Å²	109.5	67%	0.665	52%	0.518	S	S	*	.			trans	-79.2	100.7	167.2	-171.4	177.6	-176.9	177.5	0	108.9	T120	K118-T120 PolarHBondContact O-N 3.34Å; K118-T120 VanDerWaalsContact O-N 3.15Å
119	I	35.5	Very low	37	Very low	59 Å²	59	120 Å²	120	30%	0.303	56%	0.557	S	S	.	*			trans	-76.3	97.7	169.1	-59	176.6	0	0	0	108	G117 K121 I146	G117-I119 PolarHBondContact O-N 2.9Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 HydrophobicContact CG2-CB 4.33Å; I119-K121 HydrophobicContact CG2-CG 4.14Å; I119-K121 PolarHBondContact O-N 3.49Å; I119-K121 VanDerWaalsContact O-N 3.1Å; I119-I146 HydrophobicContact CD1-CD1 3.72Å
120	T	35.4	Very low	37.3	Very low	62 Å²	62	121.5 Å²	121.5	38%	0.38	57%	0.572	S	S	.	*			trans	-78.6	83.5	162.5	20.9	0	0	0	0	108.5	K118 Y122	K118-T120 PolarHBondContact O-N 3.34Å; K118-T120 VanDerWaalsContact O-N 3.15Å; T120-Y122 WeakPolarHBondContact O-CD2 3.39Å; T120-Y122 PolarHBondContact O-N 3.36Å
121	K	38.5	Very low	38	Very low	192 Å²	192	126.7 Å²	126.7	84%	0.835	60%	0.598	S	S	*	*			trans	-70.1	101.6	166.3	-112.3	-175.7	179.8	178.3	0	107.6	I119 G123	I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 HydrophobicContact CG2-CB 4.33Å; I119-K121 HydrophobicContact CG2-CG 4.14Å; I119-K121 PolarHBondContact O-N 3.49Å; I119-K121 VanDerWaalsContact O-N 3.1Å; K121-G123 PolarHBondContact O-N 3.47Å
122	Y	38.2	Very low	38.1	Very low	198 Å²	198	136.2 Å²	136.2	78%	0.776	63%	0.633	S	S	*	*			trans	-72.9	69.8	170	-58.3	-78.4	0	0	0	109.8	T120 K124	T120-Y122 WeakPolarHBondContact O-CD2 3.39Å; T120-Y122 PolarHBondContact O-N 3.36Å; Y122-K124 VanDerWaalsContact C-N 3.27Å; Y122-K124 PolarHBondContact O-N 3.26Å
123	G	36.8	Very low	38.3	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	65%	0.646	S	S	*	*			trans	-74.6	84.1	167.6	0	0	0	0	0	108.9	K121 R125	K121-G123 PolarHBondContact O-N 3.47Å; G123-R125 VanDerWaalsContact C-N 3.29Å; G123-R125 PolarHBondContact O-N 2.86Å
124	K	39.9	Very low	38.2	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.865	68%	0.678	S	S	*	*			trans	-59.4	100.7	161.8	-74.4	-173.4	179.6	-178.6	0	106.3	Y122 R126	Y122-K124 VanDerWaalsContact C-N 3.27Å; Y122-K124 PolarHBondContact O-N 3.26Å; K124-R126 PolarHBondContact O-N 3.41Å
125	R	39	Very low	38.3	Very low	229 Å²	229	146.2 Å²	146.2	86%	0.864	69%	0.69	S	S	*	*			trans	-58	116.1	166.3	-82.8	-177	153.1	144.6	-4.1	105.7	G123 R127	G123-R125 VanDerWaalsContact C-N 3.29Å; G123-R125 PolarHBondContact O-N 2.86Å; R125-R127 PolarHBondContact O-N 2.76Å; R125-R127 VanDerWaalsContact O-N 3.11Å
126	R	38.8	Very low	38.6	Very low	239 Å²	239	148.1 Å²	148.1	90%	0.902	72%	0.716	S	S	*	*			trans	-50.6	124.1	167.6	-79.5	-175.9	168.8	175.3	-3.5	106.3	K124 K128	K124-R126 PolarHBondContact O-N 3.41Å; R126-K128 PolarHBondContact O-N 3.44Å
127	R	40.8	Very low	39	Very low	241 Å²	241	150.3 Å²	150.3	91%	0.909	72%	0.722	S	S	*	*			trans	-54.4	108.6	171.2	-77.9	179.8	159.2	153.1	-6.5	106.1	R125 Y129	R125-R127 PolarHBondContact O-N 2.76Å; R125-R127 VanDerWaalsContact O-N 3.11Å; R127-Y129 PolarHBondContact O-N 3.29Å
128	K	44.7	Very low	39.4	Very low	191 Å²	191	153.9 Å²	153.9	83%	0.83	75%	0.745	S	S	*	*			trans	-64	128.1	158.4	-84	-170.9	174.5	-173	0	104.4	R126 S130	R126-K128 PolarHBondContact O-N 3.44Å; K128-S130 VanDerWaalsContact C-N 3.29Å; K128-S130 PolarHBondContact O-N 3.33Å
129	Y	43.6	Very low	39.8	Very low	240 Å²	240	152.4 Å²	152.4	94%	0.941	75%	0.745	S	S	*	*			trans	-50.2	98.3	170.3	-57.3	-88	0	0	0	107.9	R127	R127-Y129 PolarHBondContact O-N 3.29Å
130	S	44.5	Very low	39.8	Very low	77 Å²	77	160.3 Å²	160.3	54%	0.538	77%	0.771	S	S	.	*			trans	-137.2	120.9	165.7	73.7	0	0	0	0	105.2	K128 R132	K128-S130 VanDerWaalsContact C-N 3.29Å; K128-S130 PolarHBondContact O-N 3.33Å; S130-R132 PolarHBondContact O-N 2.74Å
131	D	52.3	Low	39.5	Very low	174 Å²	174	165.6 Å²	165.6	93%	0.93	79%	0.785	S	S	*	*	S	Bend	trans	-69.9	22.8	-173.1	-52.5	-40.7	0	0	0	113.6
132	R	41.9	Very low	39.3	Very low	208 Å²	208	160.4 Å²	160.4	79%	0.785	78%	0.778	S	S	*	*	S	Bend	trans	-105.4	120.6	171.3	-76.3	-175.5	-168.6	179	3.9	108.6	S130 T134	S130-R132 PolarHBondContact O-N 2.74Å; R132-T134 PolarHBondContact O-N 3.08Å
133	D	41.6	Very low	39	Very low	164 Å²	164	154.6 Å²	154.6	88%	0.877	77%	0.766	S	S	*	*			trans	-57.7	77.1	156.1	-74	-36	0	0	0	108.7	I135	D133-I135 PolarHBondContact O-N 3.43Å
134	T	35.2	Very low	38.9	Very low	114 Å²	114	154.3 Å²	154.3	70%	0.699	75%	0.754	S	S	*	*			trans	-66.1	93.5	164.7	25.9	0	0	0	0	107	R132 G136	R132-T134 PolarHBondContact O-N 3.08Å; T134-G136 PolarHBondContact O-N 3.4Å; T134-G136 VanDerWaalsContact O-N 3.15Å
135	I	36.8	Very low	38.5	Very low	169 Å²	169	153.7 Å²	153.7	87%	0.867	75%	0.747	S	S	*	*	S	Bend	trans	-34.9	115	159.7	-69.8	166.7	0	0	0	108	D133	D133-I135 PolarHBondContact O-N 3.43Å
136	G	36.9	Very low	38.4	Very low	63 Å²	63	145.5 Å²	145.5	65%	0.649	72%	0.72	S	S	*	*			trans	71.1	75.1	167.9	0	0	0	0	0	114.6	T134 S138	T134-G136 PolarHBondContact O-N 3.4Å; T134-G136 VanDerWaalsContact O-N 3.15Å; G136-S138 PolarHBondContact O-N 3.16Å
137	S	36.5	Very low	38.1	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	71%	0.712	S	S	*	*			trans	-66.2	75.6	136.5	61.1	0	0	0	0	106.9	D139	S137-D139 PolarHBondContact O-N 2.92Å; S137-D139 VanDerWaalsContact O-N 3.11Å
138	S	38.9	Very low	37.8	Very low	88 Å²	88	133.3 Å²	133.3	62%	0.615	68%	0.683	S	S	*	*			trans	-56.7	121.3	165.7	71.4	0	0	0	0	105	G136 R140	G136-S138 PolarHBondContact O-N 3.16Å; S138-R140 VanDerWaalsContact C-N 3.33Å; S138-R140 PolarHBondContact O-N 2.81Å
139	D	40.3	Very low	37.5	Very low	121 Å²	121	129.3 Å²	129.3	65%	0.647	67%	0.67	S	S	*	*			trans	-51.6	102.9	171.5	-73.5	-37.7	0	0	0	107.4	S137 Y141	S137-D139 PolarHBondContact O-N 2.92Å; S137-D139 VanDerWaalsContact O-N 3.11Å; D139-Y141 HydrophobicContact CB-CE1 4.43Å; D139-Y141 VanDerWaalsContact O-CD2 3.25Å; D139-Y141 WeakPolarHBondContact O-CD2 3.36Å; D139-Y141 WeakPolarHBondContact O-CE2 3.43Å; D139-Y141 PolarHBondContact O-N 2.69Å
140	R	34.4	Very low	37.3	Very low	225 Å²	225	118.7 Å²	118.7	85%	0.849	63%	0.629	S	S	*	*			trans	-70.5	100.3	178.3	-83.5	-170.4	-160.5	-167.1	3.4	106.2	S138 A142	S138-R140 VanDerWaalsContact C-N 3.33Å; S138-R140 PolarHBondContact O-N 2.81Å; R140-A142 PolarHBondContact O-N 2.71Å
141	Y	30	Very low	37	Very low	173 Å²	173	123.5 Å²	123.5	68%	0.678	64%	0.636	S	S	*	*			trans	-67.7	100.3	171.4	-57.1	-75.9	0	0	0	108.6	D139 S143	D139-Y141 HydrophobicContact CB-CE1 4.43Å; D139-Y141 VanDerWaalsContact O-CD2 3.25Å; D139-Y141 WeakPolarHBondContact O-CD2 3.36Å; D139-Y141 WeakPolarHBondContact O-CE2 3.43Å; D139-Y141 PolarHBondContact O-N 2.69Å; Y141-S143 PolarHBondContact O-N 3.09Å
142	A	34.2	Very low	36.4	Very low	83 Å²	83	116.6 Å²	116.6	69%	0.686	60%	0.598	S	S	*	*			trans	-86.7	93.4	164.3	0	0	0	0	0	107.8	R140	R140-A142 PolarHBondContact O-N 2.71Å
143	S	31.7	Very low	35.9	Very low	76 Å²	76	114.9 Å²	114.9	53%	0.531	59%	0.592	S	S	.	*			trans	-81.7	110.2	165.2	52.9	0	0	0	0	108.5	Y141	Y141-S143 PolarHBondContact O-N 3.09Å
144	S	34.7	Very low	35.6	Very low	60 Å²	60	108.3 Å²	108.3	42%	0.42	56%	0.56	S	S	.	*			trans	-107	128.2	167.3	61.8	0	0	0	0	109.4
145	Y	30.7	Very low	35.6	Very low	187 Å²	187	108.9 Å²	108.9	73%	0.733	55%	0.553	S	S	*	*			trans	-84.3	115.2	167.1	-64.3	-91	0	0	0	107.7
146	I	37.4	Very low	35.5	Very low	57 Å²	57	103.6 Å²	103.6	29%	0.292	53%	0.529	S	S	.	.			trans	-92.6	109	171.2	-58.3	176.9	0	0	0	106.2	Y115 I119 D148	Y115-I146 WeakPolarHBondContact CB-O 2.92Å; Y115-I146 HydrophobicContact CD1-CB 4.16Å; Y115-I146 WeakPolarHBondContact CD1-O 3.31Å; Y115-I146 HydrophobicContact CE1-CB 4.5Å; I119-I146 HydrophobicContact CD1-CD1 3.72Å; I146-D148 VanDerWaalsContact C-N 3.31Å; I146-D148 HydrophobicContact CG2-CB 4.26Å; I146-D148 VanDerWaalsContact CG2-CG 3.47Å; I146-D148 WeakPolarHBondContact CG2-OD2 3.4Å; I146-D148 PolarHBondContact O-N 2.67Å; I146-D148 VanDerWaalsContact O-N 3.13Å
147	K	34	Very low	35.5	Very low	167 Å²	167	106.8 Å²	106.8	73%	0.726	53%	0.525	S	S	*	.			trans	-79.6	86.2	167	-82.7	-173.2	178	-176.5	0	107.7
148	D	34.2	Very low	35.5	Very low	56 Å²	56	109.9 Å²	109.9	30%	0.299	53%	0.525	S	S	.	.			trans	-98.4	121.9	166.7	-81.9	-21.8	0	0	0	109	I146 F150	I146-D148 VanDerWaalsContact C-N 3.31Å; I146-D148 HydrophobicContact CG2-CB 4.26Å; I146-D148 VanDerWaalsContact CG2-CG 3.47Å; I146-D148 WeakPolarHBondContact CG2-OD2 3.4Å; I146-D148 PolarHBondContact O-N 2.67Å; I146-D148 VanDerWaalsContact O-N 3.13Å; D148-F150 HydrophobicContact CB-CD1 4.31Å; D148-F150 HydrophobicContact CB-CD2 4.05Å; D148-F150 HydrophobicContact CB-CE1 3.61Å; D148-F150 HydrophobicContact CB-CE2 3.32Å; D148-F150 HydrophobicContact CB-CZ 3.07Å; D148-F150 PolarHBondContact O-N 2.65Å; D148-F150 VanDerWaalsContact OD2-CZ 3.24Å; D148-F150 WeakPolarHBondContact OD2-CZ 3.25Å
149	D	38	Very low	35.5	Very low	107 Å²	107	111.9 Å²	111.9	57%	0.572	52%	0.523	S	S	*	.			trans	-82	96.8	169.1	-70.4	-25.6	0	0	0	108.7	T112	T112-D149 HydrophobicContact CG2-CB 4.12Å
150	F	39.3	Very low	35.4	Very low	18 Å²	18	115 Å²	115	8%	0.079	53%	0.526	C	S	.	.			trans	-89.6	150.3	169.6	-47.7	-76	0	0	0	110.2	Y91 T111 F113 D148	Y91-F150 HydrophobicContact CD1-CE2 4.31Å; Y91-F150 HydrophobicContact CE1-CD2 4.41Å; Y91-F150 AromaticContact CE1-CE2 3.93Å; Y91-F150 HydrophobicContact CE1-CE2 3.93Å; Y91-F150 HydrophobicContact CE1-CZ 4.37Å; T111-F150 VanDerWaalsContact O-O 3.11Å; F113-F150 HydrophobicContact CB-CD2 4.27Å; F113-F150 HydrophobicContact CD2-CB 4.07Å; F113-F150 WeakPolarHBondContact CD2-O 3.17Å; D148-F150 HydrophobicContact CB-CD1 4.31Å; D148-F150 HydrophobicContact CB-CD2 4.05Å; D148-F150 HydrophobicContact CB-CE1 3.61Å; D148-F150 HydrophobicContact CB-CE2 3.32Å; D148-F150 HydrophobicContact CB-CZ 3.07Å; D148-F150 PolarHBondContact O-N 2.65Å; D148-F150 VanDerWaalsContact OD2-CZ 3.24Å; D148-F150 WeakPolarHBondContact OD2-CZ 3.25Å
151	R	39.1	Very low	35.6	Very low	178 Å²	178	113.1 Å²	113.1	67%	0.672	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	117	166.6	-69.1	-178.8	177.5	-169.3	-0.2	108.1	T110	T110-R151 HydrophobicContact CG2-CB 4.46Å; T110-R151 HydrophobicContact CG2-CG 3.97Å
152	I	37.8	Very low	36	Very low	29 Å²	29	116.2 Å²	116.2	15%	0.149	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.9	166.7	-64.4	179.6	0	0	0	107	L82 F95 F113 L207	L82-I152 HydrophobicContact CD1-CD1 3.96Å; F95-I152 HydrophobicContact CE1-CD1 4.11Å; F113-I152 HydrophobicContact CE1-CD1 4.3Å; F113-I152 HydrophobicContact CE2-CB 4.22Å; F113-I152 HydrophobicContact CE2-CD1 3.58Å; F113-I152 HydrophobicContact CE2-CG1 3.55Å; F113-I152 HydrophobicContact CZ-CD1 3.32Å; F113-I152 HydrophobicContact CZ-CG1 3.87Å; I152-L207 HydrophobicContact CD1-CD1 4.45Å; I152-L207 HydrophobicContact CD1-CD2 4.37Å; I152-L207 HydrophobicContact CG1-CD2 4.29Å; I152-L207 HydrophobicContact CG2-CD1 4.09Å; I152-L207 HydrophobicContact CG2-CD2 4.17Å; I152-L207 HydrophobicContact CG2-CG 4.07Å
153	R	32.2	Very low	36.1	Very low	172 Å²	172	117.4 Å²	117.4	65%	0.649	53%	0.533	S	S	*	.			trans	-102.1	113.2	164.6	-74	-176.2	160.7	-176.5	-5.5	107.4	K155	R153-K155 PolarHBondContact O-N 2.61Å
154	A	35.5	Very low	36	Very low	26 Å²	26	120 Å²	120	22%	0.215	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-67.8	123.9	162.2	0	0	0	0	0	107.8	E109	E109-A154 HydrophobicContact CB-CB 4.32Å; E109-A154 HydrophobicContact CG-CB 4.23Å
155	K	34.7	Very low	36.2	Very low	125 Å²	125	124.9 Å²	124.9	54%	0.543	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-74.8	122.8	164.8	-71.1	179.6	-175	165.4	0	107.5	R153 K157 D208	R153-K155 PolarHBondContact O-N 2.61Å; K155-K157 PolarHBondContact O-N 3.42Å; K155-D208 WeakPolarHBondContact CE-OD2 3.31Å; K155-D208 IonicContact NZ-OD2 2.76Å; K155-D208 PolarHBondContact NZ-OD2 2.84Å
156	T	35.5	Very low	36	Very low	58 Å²	58	119.4 Å²	119.4	36%	0.356	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-59.2	126.5	169.4	10.8	0	0	0	0	108.9	D105	D105-T156 HydrophobicContact CB-CG2 4.06Å; D105-T156 WeakPolarHBondContact OD1-CB 3.43Å
157	K	36	Very low	35.4	Very low	130 Å²	130	125 Å²	125	57%	0.565	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-82.4	127.8	162.1	-76.5	-173.4	-179	177	0	106.9	K155 K159 R204	K155-K157 PolarHBondContact O-N 3.42Å; K157-K159 PolarHBondContact O-N 2.98Å; K157-R204 VanDerWaalsContact CE-O 3.25Å; K157-R204 WeakPolarHBondContact CE-O 3.03Å; K157-R204 PolarHBondContact NZ-O 2.83Å
158	K	37.3	Very low	35	Very low	172 Å²	172	121 Å²	121	75%	0.748	57%	0.574	S	S	*	*			trans	-52	106.2	166.1	-71.4	-175.8	177.1	-177.6	0	107.9
159	K	38.9	Very low	34.7	Very low	130 Å²	130	124 Å²	124	57%	0.565	59%	0.59	S	S	*	*			trans	-84.3	132	173.6	-87.4	-162.4	172.5	-166.8	0	109.2	K157	K157-K159 PolarHBondContact O-N 2.98Å
160	Y	37.3	Very low	34	Very low	185 Å²	185	126 Å²	126	73%	0.725	60%	0.598	S	S	*	*			trans	-80.9	143.2	171.1	-63.2	-81.8	0	0	0	109	R162 D163	Y160-R162 PolarHBondContact O-N 3.06Å; Y160-D163 PolarHBondContact O-N 2.85Å
161	Q	38.7	Very low	33.2	Very low	186 Å²	186	130.8 Å²	130.8	87%	0.869	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-54.3	-12	-176.2	-164.5	168.4	9.5	0	0	115.2
162	R	39.6	Very low	32.4	Very low	238 Å²	238	125.5 Å²	125.5	90%	0.898	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-76.4	-17.7	-179.3	-69.7	-172.3	-169.8	179.2	3.6	114.8	Y160 Y164	Y160-R162 PolarHBondContact O-N 3.06Å; R162-Y164 PolarHBondContact O-N 2.86Å; R162-Y164 VanDerWaalsContact O-N 3.14Å
163	D	36.6	Very low	31.6	Very low	109 Å²	109	135.4 Å²	135.4	58%	0.583	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-81.5	17.7	-180	-62.3	-18.7	0	0	0	113.1	Y160 D165	Y160-D163 PolarHBondContact O-N 2.85Å; D163-D165 PolarHBondContact O-N 2.72Å
164	Y	29.7	Very low	31.1	Very low	130 Å²	130	131 Å²	131	51%	0.51	67%	0.673	S	S	.	*			trans	-94.8	75.2	-170.6	-143	-87	0	0	0	112.1	I102 R162 G166	I102-Y164 HydrophobicContact CG2-CE2 4.02Å; R162-Y164 PolarHBondContact O-N 2.86Å; R162-Y164 VanDerWaalsContact O-N 3.14Å; Y164-G166 PolarHBondContact O-N 2.7Å
165	D	37.8	Very low	30.5	Very low	163 Å²	163	141 Å²	141	87%	0.872	71%	0.705	S	S	*	*			trans	-89.3	77.4	166.5	-77.1	-20.7	0	0	0	110.4	D163 M167	D163-D165 PolarHBondContact O-N 2.72Å; D165-M167 PolarHBondContact O-N 2.79Å
166	G	27.6	Very low	29.8	Very low	71 Å²	71	144 Å²	144	73%	0.732	72%	0.721	S	S	*	*	S	Bend	trans	73.5	17.8	140.1	0	0	0	0	0	121.2	Y164	Y164-G166 PolarHBondContact O-N 2.7Å
167	M	23.6	Very low	29.1	Very low	175 Å²	175	147.4 Å²	147.4	86%	0.862	74%	0.736	S	S	*	*			trans	-106.2	86.1	164	-89.9	170.6	136.9	0	0	110.6	D165 D169	D165-M167 PolarHBondContact O-N 2.79Å; M167-D169 PolarHBondContact O-N 3.42Å
168	S	25.4	Very low	28.4	Very low	83 Å²	83	145.8 Å²	145.8	58%	0.58	74%	0.737	S	S	*	*			trans	-74.7	105.7	171.7	-173.7	0	0	0	0	109.1	M170	S168-M170 PolarHBondContact O-N 3Å
169	D	28.4	Very low	27.6	Very low	119 Å²	119	142.9 Å²	142.9	64%	0.636	74%	0.739	S	S	*	*			trans	-62.9	124.5	164.7	-82.6	-24.2	0	0	0	108.6	M167 T171	M167-D169 PolarHBondContact O-N 3.42Å; D169-T171 PolarHBondContact O-N 3.05Å; D169-T171 VanDerWaalsContact O-N 3.13Å
170	M	22.9	Very low	26.7	Very low	150 Å²	150	143.6 Å²	143.6	74%	0.739	75%	0.747	S	S	*	*			trans	-56.1	114.9	-166	-58.2	176.1	86.1	0	0	110.4	S168 G172 I177	S168-M170 PolarHBondContact O-N 3Å; M170-G172 PolarHBondContact O-N 2.99Å; M170-I177 HydrophobicContact CE-CD1 3.35Å; M170-I177 HydrophobicContact SD-CD1 3.95Å
171	T	23.2	Very low	25.9	Very low	117 Å²	117	145.7 Å²	145.7	72%	0.718	75%	0.754	S	S	*	*			trans	-61.4	107.5	-179.9	-34.9	0	0	0	0	108.9	D169 R173	D169-T171 PolarHBondContact O-N 3.05Å; D169-T171 VanDerWaalsContact O-N 3.13Å; T171-R173 VanDerWaalsContact C-N 3.27Å; T171-R173 PolarHBondContact O-N 2.65Å
172	G	21.1	Very low	25.1	Very low	67 Å²	67	140 Å²	140	69%	0.691	75%	0.745	S	S	*	*			trans	-66.3	81.5	174.9	0	0	0	0	0	111.5	M170	M170-G172 PolarHBondContact O-N 2.99Å
173	R	22.5	Very low	24.2	Very low	237 Å²	237	134.6 Å²	134.6	89%	0.894	74%	0.738	S	S	*	*	S	Bend	trans	-137.1	92.7	155.4	-89.3	-168.4	-178.5	-172.9	1.4	108.8	T171	T171-R173 VanDerWaalsContact C-N 3.27Å; T171-R173 PolarHBondContact O-N 2.65Å
174	G	21.7	Very low	23.7	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	75%	0.749	S	S	*	*	S	Bend	trans	92.7	15.8	144.6	0	0	0	0	0	119.6
175	R	22.5	Very low	23.3	Very low	234 Å²	234	135 Å²	135	88%	0.883	76%	0.76	S	S	*	*			trans	-134.7	104.3	170.4	-69.4	-168.7	177.1	-166.2	-0.7	112.9	I177	R175-I177 PolarHBondContact O-N 3.47Å
176	Q	20.7	Very low	22.7	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	76%	0.762	S	S	*	*			trans	-36.6	112.4	159.3	-124.8	170.7	1.2	0	0	110.1	T178	Q176-T178 PolarHBondContact O-N 3.5Å
177	I	20.3	Very low	22.6	Very low	129 Å²	129	144 Å²	144	66%	0.662	77%	0.772	S	S	*	*			trans	-90.1	92.7	169.2	-59.3	176.7	0	0	0	106.5	M170 R175 S179	M170-I177 HydrophobicContact CE-CD1 3.35Å; M170-I177 HydrophobicContact SD-CD1 3.95Å; R175-I177 PolarHBondContact O-N 3.47Å; I177-S179 PolarHBondContact O-N 2.92Å
178	T	20.4	Very low	22.7	Very low	97 Å²	97	139 Å²	139	60%	0.595	77%	0.767	S	S	*	*			trans	-58.6	118.9	169.1	-41	0	0	0	0	108.5	Q176 I180	Q176-T178 PolarHBondContact O-N 3.5Å; T178-I180 HydrophobicContact CG2-CD1 4.44Å; T178-I180 HydrophobicContact CG2-CG1 4.12Å; T178-I180 PolarHBondContact O-N 3.05Å; T178-I180 VanDerWaalsContact O-N 3.08Å
179	S	20.3	Very low	22.7	Very low	111 Å²	111	143 Å²	143	78%	0.776	78%	0.78	S	S	*	*			trans	-62.4	104.8	169.2	52.4	0	0	0	0	109.3	I177	I177-S179 PolarHBondContact O-N 2.92Å
180	I	20.8	Very low	22.5	Very low	145 Å²	145	143 Å²	143	74%	0.744	79%	0.789	S	S	*	*			trans	-116.6	116.5	172.1	-58.5	177.6	0	0	0	108	T178	T178-I180 HydrophobicContact CG2-CD1 4.44Å; T178-I180 HydrophobicContact CG2-CG1 4.12Å; T178-I180 PolarHBondContact O-N 3.05Å; T178-I180 VanDerWaalsContact O-N 3.08Å
181	W	19.5	Very low	22.8	Very low	228 Å²	228	144.2 Å²	144.2	86%	0.864	79%	0.79	S	S	*	*			trans	-54.8	131	173.9	-73.5	16.9	0	0	0	111.7
182	G	22.7	Very low	22.8	Very low	66 Å²	66	144.5 Å²	144.5	68%	0.68	79%	0.792	S	S	*	*			trans	-126	50.7	172.5	0	0	0	0	0	111.5	H184	G182-H184 PolarHBondContact O-N 2.9Å
183	T	21.4	Very low	23.1	Very low	125 Å²	125	150.7 Å²	150.7	77%	0.767	80%	0.8	S	S	*	*			trans	-70.7	80.9	160.5	36.7	0	0	0	0	108.5
184	H	24.6	Very low	23.2	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.815	79%	0.793	S	S	*	*			trans	-120.6	99.7	169.4	-81	81.8	0	0	0	109.5	G182	G182-H184 PolarHBondContact O-N 2.9Å
185	G	22.1	Very low	23.3	Very low	71 Å²	71	147.7 Å²	147.7	73%	0.732	79%	0.793	S	S	*	*			trans	55.4	108.4	132.4	0	0	0	0	0	118.5	R187	G185-R187 PolarHBondContact O-N 2.95Å
186	N	25.1	Very low	23.5	Very low	170 Å²	170	141 Å²	141	91%	0.909	78%	0.783	S	S	*	*			trans	-19.9	111.3	148.2	-72.7	-24.5	0	0	0	114
187	R	26.1	Very low	23.6	Very low	253 Å²	253	141.4 Å²	141.4	96%	0.955	78%	0.781	S	S	*	*			trans	-168.6	128.1	152.8	-108.5	166.3	-167	162.4	3.7	109.8	G185	G185-R187 PolarHBondContact O-N 2.95Å
188	G	24.2	Very low	23.8	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	78%	0.784	S	S	*	*			trans	114.9	80.5	159.3	0	0	0	0	0	114.8	S190	G188-S190 PolarHBondContact O-N 3.08Å
189	I	25.4	Very low	24	Very low	167 Å²	167	141.6 Å²	141.6	86%	0.856	79%	0.793	S	S	*	*			trans	-53.1	118.4	155.5	-63.4	160.8	0	0	0	107.8
190	S	25.8	Very low	24.2	Very low	119 Å²	119	145.1 Å²	145.1	83%	0.832	80%	0.798	S	S	*	*			trans	-125.7	130.1	166.2	176.5	0	0	0	0	108.6	G188	G188-S190 PolarHBondContact O-N 3.08Å
191	K	28.2	Very low	24.5	Very low	175 Å²	175	142.6 Å²	142.6	76%	0.761	79%	0.793	S	S	*	*			trans	-90.1	133	-161.8	-79.6	178.1	173.6	177.6	0	111.6
192	T	24.5	Very low	24.9	Very low	122 Å²	122	140 Å²	140	75%	0.748	79%	0.79	S	S	*	*			trans	58.2	134.4	141.8	24.7	0	0	0	0	123.1
193	K	25.9	Very low	25.2	Very low	198 Å²	198	142.2 Å²	142.2	86%	0.861	79%	0.787	S	S	*	*			trans	69	94.3	137.8	-82.7	178.8	171.3	-176.8	0	118.6
194	G	26.1	Very low	25.4	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	79%	0.786	S	S	*	*			trans	-148.6	88.3	146.3	0	0	0	0	0	108.4	S196	G194-S196 VanDerWaalsContact C-N 3.29Å; G194-S196 PolarHBondContact O-N 3.21Å
195	E	23.6	Very low	25.8	Very low	182 Å²	182	141.4 Å²	141.4	85%	0.85	77%	0.772	S	S	*	*			trans	-67.3	87.7	169.5	-75.1	174.8	170.9	0	0	108.5	K197	E195-K197 PolarHBondContact O-N 3.32Å; E195-K197 VanDerWaalsContact O-N 3.14Å
196	S	25.6	Very low	26.2	Very low	95 Å²	95	145.4 Å²	145.4	66%	0.664	77%	0.772	S	S	*	*			trans	-74.4	102.6	166.9	60.6	0	0	0	0	107.9	G194 T198	G194-S196 VanDerWaalsContact C-N 3.29Å; G194-S196 PolarHBondContact O-N 3.21Å; S196-T198 PolarHBondContact O-N 3.03Å
197	K	24	Very low	26.8	Very low	196 Å²	196	140.6 Å²	140.6	85%	0.852	75%	0.746	S	S	*	*			trans	-62	84.8	166.4	-67.8	178.6	179.4	177.2	0	108.5	E195 S199	E195-K197 PolarHBondContact O-N 3.32Å; E195-K197 VanDerWaalsContact O-N 3.14Å; K197-S199 PolarHBondContact O-N 3.29Å; K197-S199 VanDerWaalsContact O-N 3.09Å
198	T	24.4	Very low	27.3	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	72%	0.722	S	S	*	*			trans	-70.5	105.8	170	42.1	0	0	0	0	107.8	S196 E200	S196-T198 PolarHBondContact O-N 3.03Å; T198-E200 PolarHBondContact O-N 3.13Å
199	S	24.7	Very low	27.8	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	71%	0.707	S	S	*	*			trans	-57.5	103.7	169.9	46.2	0	0	0	0	109.5	K197 S201	K197-S199 PolarHBondContact O-N 3.29Å; K197-S199 VanDerWaalsContact O-N 3.09Å; S199-S201 PolarHBondContact O-N 3.35Å
200	E	24.8	Very low	28.3	Very low	185 Å²	185	132 Å²	132	86%	0.864	70%	0.696	S	S	*	*			trans	-63.9	96.2	168.8	-78.9	-177.7	148.2	0	0	108.7	T198 Q202	T198-E200 PolarHBondContact O-N 3.13Å; E200-Q202 PolarHBondContact O-N 3.28Å
201	S	26.6	Very low	28.7	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	68%	0.679	S	S	*	*			trans	-62.6	111.4	167	68.5	0	0	0	0	107.6	S199 N203	S199-S201 PolarHBondContact O-N 3.35Å; S201-N203 PolarHBondContact O-N 3.22Å
202	Q	26.9	Very low	29.2	Very low	173 Å²	173	128 Å²	128	81%	0.808	68%	0.679	S	S	*	*			trans	-62.4	96.5	-179.5	-69.5	-176.6	-17.1	0	0	110.4	E200 R204	E200-Q202 PolarHBondContact O-N 3.28Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.94Å
203	N	29.3	Very low	29.6	Very low	112 Å²	112	127.8 Å²	127.8	60%	0.599	67%	0.673	S	S	*	*			trans	-66.1	88.2	173.9	-82.2	-39.3	0	0	0	110	S201 T205	S201-N203 PolarHBondContact O-N 3.22Å; N203-T205 PolarHBondContact O-N 3.09Å; N203-T205 VanDerWaalsContact O-N 3.16Å
204	R	26.4	Very low	30.2	Very low	199 Å²	199	127.7 Å²	127.7	75%	0.751	68%	0.676	S	S	*	*			trans	-68.2	107.3	167.1	-80.1	-175.2	176.1	-176	-0.2	109.3	K157 Q202	K157-R204 VanDerWaalsContact CE-O 3.25Å; K157-R204 WeakPolarHBondContact CE-O 3.03Å; K157-R204 PolarHBondContact NZ-O 2.83Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.94Å
205	T	31.6	Very low	30.8	Very low	86 Å²	86	131.2 Å²	131.2	53%	0.528	68%	0.678	S	S	.	*			trans	-89.4	117.4	168.6	-27.2	0	0	0	0	108.2	N203	N203-T205 PolarHBondContact O-N 3.09Å; N203-T205 VanDerWaalsContact O-N 3.16Å
206	E	31.9	Very low	31.1	Very low	154 Å²	154	125.8 Å²	125.8	72%	0.72	67%	0.67	S	S	*	*			trans	-83.1	134.4	167.4	-73.9	178.2	178.2	0	0	108.7
207	L	36.2	Very low	31.4	Very low	70 Å²	70	132.5 Å²	132.5	37%	0.366	68%	0.681	S	S	.	*			trans	-131.6	115.5	-164.4	-148.2	147.3	0	0	0	110	I152 I209	I152-L207 HydrophobicContact CD1-CD1 4.45Å; I152-L207 HydrophobicContact CD1-CD2 4.37Å; I152-L207 HydrophobicContact CG1-CD2 4.29Å; I152-L207 HydrophobicContact CG2-CD1 4.09Å; I152-L207 HydrophobicContact CG2-CD2 4.17Å; I152-L207 HydrophobicContact CG2-CG 4.07Å; L207-I209 HydrophobicContact CD2-CD1 4.34Å; L207-I209 HydrophobicContact CD2-CG1 3.54Å
208	D	37	Very low	32	Very low	84 Å²	84	134.5 Å²	134.5	45%	0.449	68%	0.683	S	S	.	*			trans	-93.7	113.5	171.3	-66.7	-35.7	0	0	0	108.1	K155 F210	K155-D208 WeakPolarHBondContact CE-OD2 3.31Å; K155-D208 IonicContact NZ-OD2 2.76Å; K155-D208 PolarHBondContact NZ-OD2 2.84Å; D208-F210 HydrophobicContact CB-CE2 3.98Å; D208-F210 HydrophobicContact CB-CZ 4.32Å
209	I	35.2	Very low	32.4	Very low	85 Å²	85	141.7 Å²	141.7	44%	0.436	71%	0.712	S	S	.	*			trans	-93	116	176.8	-59.2	171.7	0	0	0	107.7	N84 L207	N84-I209 WeakPolarHBondContact ND2-CD1 3.27Å; L207-I209 HydrophobicContact CD2-CD1 4.34Å; L207-I209 HydrophobicContact CD2-CG1 3.54Å
210	F	35.7	Very low	32.8	Very low	143 Å²	143	143.1 Å²	143.1	63%	0.627	71%	0.708	S	S	*	*			trans	-95	119.5	168.6	-61.3	-86.1	0	0	0	108.5	D208	D208-F210 HydrophobicContact CB-CE2 3.98Å; D208-F210 HydrophobicContact CB-CZ 4.32Å
211	S	34.9	Very low	33.2	Very low	69 Å²	69	140.9 Å²	140.9	48%	0.483	70%	0.7	S	S	.	*			trans	-87.1	131.4	162.2	54.4	0	0	0	0	108.5	D213	S211-D213 WeakPolarHBondContact CB-OD1 3.35Å; S211-D213 PolarHBondContact O-N 3.17Å; S211-D213 PolarHBondContact OG-OD1 3.23Å
212	N	37.5	Very low	33.6	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	70%	0.702	S	S	*	*			trans	-73.9	90.8	159.4	-75.7	-18	0	0	0	106	E214	N212-E214 PolarHBondContact O-N 2.84Å
213	D	34.2	Very low	34	Very low	118 Å²	118	141.8 Å²	141.8	63%	0.631	70%	0.696	S	S	*	*			trans	-67.1	107	167.4	-72.6	0.5	0	0	0	106.5	S211 N215 G216	S211-D213 WeakPolarHBondContact CB-OD1 3.35Å; S211-D213 PolarHBondContact O-N 3.17Å; S211-D213 PolarHBondContact OG-OD1 3.23Å; D213-N215 PolarHBondContact O-N 3.31Å; D213-G216 PolarHBondContact O-N 3.31Å; D213-G216 VanDerWaalsContact O-N 3.11Å
214	E	38	Very low	34.2	Very low	196 Å²	196	143.7 Å²	143.7	92%	0.916	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-2.7	171.2	-82.2	-172.5	148.7	0	0	113	N212 G216	N212-E214 PolarHBondContact O-N 2.84Å; E214-G216 VanDerWaalsContact C-N 3.27Å; E214-G216 PolarHBondContact O-N 3.14Å
215	N	38.1	Very low	34.8	Very low	147 Å²	147	140 Å²	140	79%	0.786	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	38.6	167.3	-73.2	-27.1	0	0	0	112.9	D213 R217	D213-N215 PolarHBondContact O-N 3.31Å; N215-R217 PolarHBondContact O-N 3.27Å
216	G	30.7	Very low	35	Very low	67 Å²	67	143.9 Å²	143.9	69%	0.691	71%	0.711	S	S	*	*			trans	-62.2	59.7	157.2	0	0	0	0	0	111.4	D213 E214 R218	D213-G216 PolarHBondContact O-N 3.31Å; D213-G216 VanDerWaalsContact O-N 3.11Å; E214-G216 VanDerWaalsContact C-N 3.27Å; E214-G216 PolarHBondContact O-N 3.14Å; G216-R218 PolarHBondContact O-N 3.14Å
217	R	31.2	Very low	35.2	Very low	236 Å²	236	143.1 Å²	143.1	89%	0.891	71%	0.71	S	S	*	*			trans	-65.7	112.6	159.9	-99.4	-176.3	178	173	-0.8	106.3	N215	N215-R217 PolarHBondContact O-N 3.27Å
218	R	35.9	Very low	35.2	Very low	239 Å²	239	149.2 Å²	149.2	90%	0.902	74%	0.739	S	S	*	*			trans	-37.5	146.6	166.1	-68.7	171.5	165.1	-175.4	-6.4	112.5	G216	G216-R218 PolarHBondContact O-N 3.14Å
219	M	33.6	Very low	35	Very low	267 Å²	267	155.1 Å²	155.1	100%	1.315	77%	0.765	S	S	*	*			trans	-13.4	0	156.8	-62.3	-178.5	175.3	0	0	116

Retrieved 219 of 219 residues in 30.4 ms (Link to these results)

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