A0A077Z6R0_TRITR Loading...

Protein lsy

AlphaFold DB , UniProt , Accession A0A077Z6R0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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	40.8	Very low	48.9	Very low	205 Å²	205	93.1 Å²	93.1	100%	1.01	49%	0.494	S	S	*	.				0	-25.2	0	-60.5	-63.2	179.4	0	0	114.1
2	A	39	Very low	48.9	Very low	89 Å²	89	94.8 Å²	94.8	74%	0.736	50%	0.503	S	S	*	.	H	α-helix	trans	-77.5	-27.4	-178.5	0	0	0	0	0	115.6
3	G	42.4	Very low	49	Very low	36 Å²	36	94.2 Å²	94.2	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-79.4	-21.8	-174.4	0	0	0	0	0	115.9
4	D	46.2	Very low	48.4	Very low	57 Å²	57	93.4 Å²	93.4	31%	0.305	51%	0.511	S	S	.	.	H	α-helix	trans	-72.8	-32.8	-180	-67.5	-70.4	0	0	0	111.7	D8 K72	D4-D8 PolarHBondContact O-N 3.48Å; D4-K72 IonicContact OD1-NZ 2.84Å; D4-K72 PolarHBondContact OD1-NZ 3.33Å
5	V	52	Low	47.4	Very low	83 Å²	83	97.3 Å²	97.3	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-74.5	-33.7	-175.3	-175	0	0	0	0	112.5	R9	V5-R9 WeakPolarHBondContact O-CB 3.07Å; V5-R9 PolarHBondContact O-N 2.77Å; V5-R9 VanDerWaalsContact O-N 3.15Å
6	E	50.9	Low	46.9	Very low	103 Å²	103	100.9 Å²	100.9	48%	0.481	55%	0.55	S	S	.	.	H	α-helix	trans	-72.3	-36.2	179.9	-161.1	-172.6	145.6	0	0	111.6	R9 M10 R57	E6-R9 PolarHBondContact O-N 3.15Å; E6-M10 WeakPolarHBondContact O-CG 3.46Å; E6-M10 PolarHBondContact O-N 3.21Å; E6-R57 IonicContact OE1-CZ 3.71Å; E6-R57 IonicContact OE1-NH1 3.6Å; E6-R57 IonicContact OE1-NH2 2.84Å; E6-R57 PolarHBondContact OE1-NH2 3.14Å
7	F	50.4	Low	46.2	Very low	38 Å²	38	105.5 Å²	105.5	17%	0.167	56%	0.564	C	S	.	*	H	α-helix	trans	-70.6	-43.6	179.6	-174.6	-101.2	0	0	0	112.4	R9 M10 L11 I52 F60	F7-R9 VanDerWaalsContact C-N 3.33Å; F7-M10 PolarHBondContact O-N 3.39Å; F7-L11 HydrophobicContact CD1-CD1 3.91Å; F7-L11 HydrophobicContact CE1-CD1 3.37Å; F7-L11 HydrophobicContact CE1-CG 4.27Å; F7-L11 HydrophobicContact CZ-CD1 3.79Å; F7-L11 HydrophobicContact CZ-CG 4.41Å; F7-L11 PolarHBondContact O-N 3.24Å; F7-L11 VanDerWaalsContact O-N 3.14Å; F7-I52 HydrophobicContact CD2-CD1 4.41Å; F7-I52 HydrophobicContact CE2-CD1 3.9Å; F7-F60 HydrophobicContact CB-CZ 4.43Å; F7-F60 HydrophobicContact CD1-CZ 4.07Å; F7-F60 HydrophobicContact CD2-CE2 4.45Å; F7-F60 HydrophobicContact CD2-CZ 4.3Å; F7-F60 HydrophobicContact CE1-CZ 4.38Å; F7-F60 HydrophobicContact CG-CZ 4.01Å
8	D	53.9	Low	46	Very low	90 Å²	90	105.1 Å²	105.1	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-68.5	-32.5	175.4	-81.7	-19.4	0	0	0	111.9	D4 L11 N12	D4-D8 PolarHBondContact O-N 3.48Å; D8-L11 PolarHBondContact O-N 3.36Å; D8-N12 VanDerWaalsContact O-CB 3.31Å; D8-N12 WeakPolarHBondContact O-CB 3.46Å; D8-N12 PolarHBondContact O-N 2.85Å; D8-N12 VanDerWaalsContact O-N 3.15Å; D8-N12 PolarHBondContact O-ND2 3.02Å
9	R	57	Low	45.5	Very low	191 Å²	191	108.6 Å²	108.6	72%	0.721	59%	0.585	S	S	*	*	H	α-helix	trans	-62.1	-41.1	169.8	-91	-176.6	169.1	155.2	-1.8	112.5	V5 E6 F7 L11	V5-R9 WeakPolarHBondContact O-CB 3.07Å; V5-R9 PolarHBondContact O-N 2.77Å; V5-R9 VanDerWaalsContact O-N 3.15Å; E6-R9 PolarHBondContact O-N 3.15Å; F7-R9 VanDerWaalsContact C-N 3.33Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 3.3Å
10	M	51.7	Low	44.9	Very low	110 Å²	110	112.4 Å²	112.4	54%	0.542	60%	0.598	S	S	.	*	H	α-helix	trans	-67.7	-29.7	177.6	-75.2	-174.6	114.8	0	0	113.2	E6 F7	E6-M10 WeakPolarHBondContact O-CG 3.46Å; E6-M10 PolarHBondContact O-N 3.21Å; F7-M10 PolarHBondContact O-N 3.39Å
11	L	54.2	Low	44.4	Very low	22 Å²	22	111.4 Å²	111.4	12%	0.115	61%	0.606	C	S	.	*	H	α-helix	trans	-84.9	-18	179.9	-70.6	-179.8	0	0	0	114.2	F7 D8 R9 Q48 Q49	F7-L11 HydrophobicContact CD1-CD1 3.91Å; F7-L11 HydrophobicContact CE1-CD1 3.37Å; F7-L11 HydrophobicContact CE1-CG 4.27Å; F7-L11 HydrophobicContact CZ-CD1 3.79Å; F7-L11 HydrophobicContact CZ-CG 4.41Å; F7-L11 PolarHBondContact O-N 3.24Å; F7-L11 VanDerWaalsContact O-N 3.14Å; D8-L11 PolarHBondContact O-N 3.36Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 3.3Å; L11-Q48 HydrophobicContact CD2-CB 3.93Å; L11-Q48 PolarHBondContact O-OE1 3.33Å; L11-Q49 HydrophobicContact CD1-CG 4.42Å; L11-Q49 HydrophobicContact CD2-CG 3.89Å
12	N	48.6	Very low	44.1	Very low	113 Å²	113	106 Å²	106	60%	0.604	59%	0.594	S	S	*	*	S	Bend	trans	-110.4	15.3	-172.1	-64.4	-29	0	0	0	113.6	D8	D8-N12 VanDerWaalsContact O-CB 3.31Å; D8-N12 WeakPolarHBondContact O-CB 3.46Å; D8-N12 PolarHBondContact O-N 2.85Å; D8-N12 VanDerWaalsContact O-N 3.15Å; D8-N12 PolarHBondContact O-ND2 3.02Å
13	S	50.1	Low	44.2	Very low	87 Å²	87	108.3 Å²	108.3	61%	0.608	59%	0.594	S	S	*	*			trans	-106	20.6	-171.3	87.9	0	0	0	0	116.6
14	V	40.8	Very low	44	Very low	84 Å²	84	110.8 Å²	110.8	51%	0.509	62%	0.619	S	S	.	*			trans	-137	83.6	174.3	-78.4	0	0	0	0	110.3
15	D	33.2	Very low	43.9	Very low	151 Å²	151	115.5 Å²	115.5	81%	0.807	64%	0.643	S	S	*	*			trans	-75.4	111.4	148.7	-50.1	-39	0	0	0	105
16	D	40.1	Very low	42.9	Very low	156 Å²	156	118.3 Å²	118.3	83%	0.834	65%	0.651	S	S	*	*			trans	-135.4	138.8	167	-144.4	-0.9	0	0	0	112.3
17	F	35	Very low	42.4	Very low	179 Å²	179	116.6 Å²	116.6	79%	0.785	65%	0.654	S	S	*	*			trans	-92.2	164.9	-153.3	-106.7	-108.8	0	0	0	112.3
18	S	41.2	Very low	42.2	Very low	98 Å²	98	120.3 Å²	120.3	69%	0.685	69%	0.685	S	S	*	*			trans	76.1	107.7	150.1	-58.5	0	0	0	0	117.9
19	M	36.4	Very low	42.2	Very low	171 Å²	171	121.5 Å²	121.5	84%	0.842	70%	0.696	S	S	*	*				74.1	111.5	84.3	-85.8	-174.8	64.2	0	0	114.3
20	E	35.1	Very low	42.3	Very low	184 Å²	184	118.2 Å²	118.2	86%	0.86	70%	0.699	S	S	*	*				167.5	107.3	127.9	-92.2	173.6	165.9	0	0	107.3
21	A	33.8	Very low	43.5	Very low	92 Å²	92	114.3 Å²	114.3	76%	0.76	69%	0.687	S	S	*	*				74.6	108.8	68.7	0	0	0	0	0	113.8
22	A	34.2	Very low	44.8	Very low	92 Å²	92	116.9 Å²	116.9	76%	0.76	70%	0.698	S	S	*	*			trans	62.9	71.9	132.5	0	0	0	0	0	118.5
23	L	40.5	Very low	46.6	Very low	138 Å²	138	115.3 Å²	115.3	72%	0.723	69%	0.687	S	S	*	*			trans	-140.5	134.8	138.4	-71	178.1	0	0	0	107.7	L25 E26	L23-L25 PolarHBondContact O-N 3.48Å; L23-E26 HydrophobicContact CB-CG 4.38Å; L23-E26 WeakPolarHBondContact O-CG 3.47Å
24	G	38.7	Very low	48.2	Very low	88 Å²	88	111.4 Å²	111.4	91%	0.907	66%	0.66	S	S	*	*	S	Bend	trans	-78.7	56.9	-173.9	0	0	0	0	0	113.8
25	L	43.3	Very low	50.4	Low	156 Å²	156	114.9 Å²	114.9	82%	0.817	67%	0.67	S	S	*	*	S	Bend	trans	-145.6	21.8	-179.3	-85.1	171.6	0	0	0	113.4	L23	L23-L25 PolarHBondContact O-N 3.48Å
26	E	32.6	Very low	52.9	Low	142 Å²	142	112.7 Å²	112.7	66%	0.664	66%	0.662	S	S	*	*			trans	-136.4	137.8	-148.5	-49.9	-81	142.2	0	0	108.4	L23	L23-E26 HydrophobicContact CB-CG 4.38Å; L23-E26 WeakPolarHBondContact O-CG 3.47Å
27	A	39.3	Very low	55.2	Low	66 Å²	66	107.7 Å²	107.7	55%	0.545	64%	0.639	S	S	.	*			cis	-171.5	155.6	-4.3	0	0	0	0	0	101.7	T29	A27-T29 PolarHBondContact O-N 2.7Å
28	S	47.5	Very low	57.7	Low	116 Å²	116	104.2 Å²	104.2	81%	0.811	63%	0.628	S	S	*	*	S	Bend	trans	-48.4	111.6	157.9	44	0	0	0	0	106.8	P30	S28-P30 VanDerWaalsContact O-N 3.12Å
29	T	54.2	Low	59.7	Low	116 Å²	116	105.6 Å²	105.6	71%	0.712	62%	0.622	S	S	*	*			trans	-40	122.8	-175.4	47.6	0	0	0	0	108.3	A27 G31	A27-T29 PolarHBondContact O-N 2.7Å; T29-G31 VanDerWaalsContact C-N 3.31Å; T29-G31 PolarHBondContact O-N 3.27Å
30	P	58	Low	61.9	Low	122 Å²	122	101.8 Å²	101.8	79%	0.792	61%	0.608	S	S	*	*			trans	-58	100.2	-173.4	9	-15.5	0	0	0	108.3	S28	S28-P30 VanDerWaalsContact O-N 3.12Å
31	G	77.6	Confident	64.2	Low	27 Å²	27	95.4 Å²	95.4	28%	0.278	58%	0.578	S	S	.	*			trans	-82.6	150	-175.8	0	0	0	0	0	109	T29 Q33 T40 F41	T29-G31 VanDerWaalsContact C-N 3.31Å; T29-G31 PolarHBondContact O-N 3.27Å; G31-Q33 PolarHBondContact O-N 3.14Å; G31-Q33 VanDerWaalsContact O-N 3.14Å; G31-T40 VanDerWaalsContact CA-CG2 3.47Å; G31-F41 CarbonylContact C-O 3.15Å; G31-F41 WeakPolarHBondContact CA-O 3.45Å
32	H	80.7	Confident	66.5	Low	76 Å²	76	97.9 Å²	97.9	35%	0.352	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.3	105.5	178.4	-61.4	-86.1	0	0	0	108.7	F41 S44 L47	H32-F41 PolarHBondContact N-O 3.19Å; H32-F41 WeakPolarHBondContact O-CD2 3.46Å; H32-F41 PolarHBondContact O-N 2.86Å; H32-S44 PolarHBondContact CD2-N 3.02Å; H32-S44 PolarHBondContact NE2-N 3.27Å; H32-S44 VanDerWaalsContact NE2-N 3.14Å; H32-L47 HydrophobicContact CB-CB 3.68Å; H32-L47 HydrophobicContact CB-CD2 3.7Å; H32-L47 HydrophobicContact CB-CG 4.28Å
33	Q	85.8	Confident	68.7	Low	81 Å²	81	96 Å²	96	38%	0.379	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	134.4	-176.6	-168.9	177.7	46.9	0	0	112.1	G31 Q35 L38 K39 L47	G31-Q33 PolarHBondContact O-N 3.14Å; G31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-Q35 PolarHBondContact O-N 3.42Å; Q33-Q35 PolarHBondContact O-NE2 3.01Å; Q33-L38 WeakPolarHBondContact CG-O 3.42Å; Q33-L38 PolarHBondContact NE2-O 2.65Å; Q33-K39 WeakPolarHBondContact CA-O 3.44Å; Q33-L47 WeakPolarHBondContact O-CD2 3.41Å
34	C	83.9	Confident	70.8	Confident	5 Å²	5	91.4 Å²	91.4	3%	0.034	54%	0.544	C	S	.	.			trans	-70.7	121.5	169.5	179.9	0	0	0	0	110.9	V36 L38 K39 F41 L47 H50 H54	C34-V36 PolarHBondContact O-N 2.83Å; C34-V36 PolarHBondContact SG-N 3.12Å; C34-V36 VanDerWaalsContact SG-N 3.39Å; C34-L38 WeakPolarHBondContact O-CA 3.5Å; C34-L38 PolarHBondContact O-N 2.82Å; C34-K39 PolarHBondContact N-O 2.84Å; C34-F41 HydrophobicContact CB-CE2 4.46Å; C34-L47 VanDerWaalsContact CA-CD1 3.46Å; C34-L47 HydrophobicContact CB-CD1 3.7Å; C34-H50 PolarHBondContact SG-NE2 3.38Å; C34-H50 VanDerWaalsContact SG-NE2 3.38Å; C34-H54 PolarHBondContact SG-NE2 3.27Å
35	Q	87.3	Confident	72.8	Confident	156 Å²	156	92.9 Å²	92.9	73%	0.729	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.8	178.9	-58.6	-56.8	-38.9	0	0	113.9	Q33	Q33-Q35 PolarHBondContact O-N 3.42Å; Q33-Q35 PolarHBondContact O-NE2 3.01Å
36	V	86.3	Confident	74.7	Confident	106 Å²	106	86.3 Å²	86.3	64%	0.642	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-42.8	180	-175.4	0	0	0	0	112	C34 H54	C34-V36 PolarHBondContact O-N 2.83Å; C34-V36 PolarHBondContact SG-N 3.12Å; C34-V36 VanDerWaalsContact SG-N 3.39Å; V36-H54 WeakPolarHBondContact CG1-ND1 2.98Å
37	C	87.8	Confident	77.1	Confident	51 Å²	51	81.3 Å²	81.3	35%	0.345	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	5.1	-177.1	72.7	0	0	0	0	114.8	K39 H50	C37-K39 PolarHBondContact O-N 2.99Å; C37-H50 VanDerWaalsContact SG-CE1 3.53Å; C37-H50 PolarHBondContact SG-NE2 3.07Å
38	L	88.3	Confident	79.2	Confident	106 Å²	106	80 Å²	80	56%	0.555	46%	0.455	S	S	*	.			trans	60.6	12.4	176.3	-54.1	179.2	0	0	0	115.3	Q33 C34	Q33-L38 WeakPolarHBondContact CG-O 3.42Å; Q33-L38 PolarHBondContact NE2-O 2.65Å; C34-L38 WeakPolarHBondContact O-CA 3.5Å; C34-L38 PolarHBondContact O-N 2.82Å
39	K	83.2	Confident	80.8	Confident	127 Å²	127	78.3 Å²	78.3	55%	0.552	43%	0.434	S	S	*	.			trans	-69.1	132.8	173.3	-72.3	-176.5	-178.8	-175.7	0	111.1	Q33 C34 C37 F41	Q33-K39 WeakPolarHBondContact CA-O 3.44Å; C34-K39 PolarHBondContact N-O 2.84Å; C37-K39 PolarHBondContact O-N 2.99Å; K39-F41 HydrophobicContact CB-CE2 3.78Å; K39-F41 HydrophobicContact CB-CZ 4.09Å; K39-F41 WeakPolarHBondContact O-CD2 3.48Å; K39-F41 WeakPolarHBondContact O-CE2 3.06Å
40	T	82.6	Confident	82.2	Confident	91 Å²	91	74 Å²	74	56%	0.558	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.5	-179.1	-50.3	0	0	0	0	110.8	G31	G31-T40 VanDerWaalsContact CA-CG2 3.47Å
41	F	82.4	Confident	83.3	Confident	50 Å²	50	70.8 Å²	70.8	22%	0.219	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.7	179.4	-63.9	-91.6	0	0	0	110.5	G31 H32 C34 K39 S43 L47 H50	G31-F41 CarbonylContact C-O 3.15Å; G31-F41 WeakPolarHBondContact CA-O 3.45Å; H32-F41 PolarHBondContact N-O 3.19Å; H32-F41 WeakPolarHBondContact O-CD2 3.46Å; H32-F41 PolarHBondContact O-N 2.86Å; C34-F41 HydrophobicContact CB-CE2 4.46Å; K39-F41 HydrophobicContact CB-CE2 3.78Å; K39-F41 HydrophobicContact CB-CZ 4.09Å; K39-F41 WeakPolarHBondContact O-CD2 3.48Å; K39-F41 WeakPolarHBondContact O-CE2 3.06Å; F41-S43 PolarHBondContact O-N 2.84Å; F41-L47 HydrophobicContact CB-CB 4.25Å; F41-L47 HydrophobicContact CD2-CB 4.05Å; F41-L47 HydrophobicContact CD2-CD1 3.9Å; F41-L47 HydrophobicContact CE2-CD1 4.17Å; F41-L47 HydrophobicContact CG-CB 4.31Å; F41-H50 HydrophobicContact CD1-CB 4.48Å; F41-H50 HydrophobicContact CD2-CB 4.45Å; F41-H50 HydrophobicContact CE1-CB 3.72Å; F41-H50 HydrophobicContact CE2-CB 3.7Å; F41-H50 AromaticContact CE2-CD2 3.43Å; F41-H50 VanDerWaalsContact CE2-CD2 3.43Å; F41-H50 WeakPolarHBondContact CE2-CD2 3.35Å; F41-H50 AromaticContact CE2-CG 3.45Å; F41-H50 VanDerWaalsContact CE2-CG 3.45Å; F41-H50 HydrophobicContact CZ-CB 3.31Å; F41-H50 AromaticContact CZ-CD2 3.63Å; F41-H50 AromaticContact CZ-CE1 3.99Å; F41-H50 AromaticContact CZ-CG 3.13Å; F41-H50 AromaticContact CZ-ND1 3.42Å; F41-H50 WeakPolarHBondContact CZ-ND1 3.28Å
42	V	82.8	Confident	83.6	Confident	144 Å²	144	70.3 Å²	70.3	87%	0.873	38%	0.377	S	S	*	.	S	Bend	trans	-68.4	-14.9	177.3	-66.3	0	0	0	0	113.5
43	S	80.9	Confident	83.6	Confident	51 Å²	51	69.1 Å²	69.1	36%	0.357	38%	0.376	S	S	.	.	S	Bend	trans	-144.8	148.2	-178.3	67.4	0	0	0	0	112.2	F41 K45 G46 L47	F41-S43 PolarHBondContact O-N 2.84Å; S43-K45 PolarHBondContact O-N 2.83Å; S43-G46 WeakPolarHBondContact O-CA 3.25Å; S43-G46 PolarHBondContact O-N 2.86Å; S43-G46 PolarHBondContact OG-N 2.99Å; S43-G46 VanDerWaalsContact OG-N 3.11Å; S43-L47 PolarHBondContact O-N 2.81Å
44	S	82.9	Confident	83.5	Confident	43 Å²	43	68.5 Å²	68.5	30%	0.301	37%	0.373	S	S	.	.	H	α-helix	trans	-57.6	-41.6	175.7	-177.3	0	0	0	0	110.8	H32 G46 L47 Q48	H32-S44 PolarHBondContact CD2-N 3.02Å; H32-S44 PolarHBondContact NE2-N 3.27Å; H32-S44 VanDerWaalsContact NE2-N 3.14Å; S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.7Å; S44-L47 CarbonylContact O-C 3.4Å; S44-L47 WeakPolarHBondContact O-CB 3.45Å; S44-L47 PolarHBondContact O-N 3.45Å; S44-L47 VanDerWaalsContact O-N 3.09Å; S44-Q48 WeakPolarHBondContact O-CG 3.49Å; S44-Q48 PolarHBondContact O-N 3.09Å
45	K	81.5	Confident	83.1	Confident	119 Å²	119	71.8 Å²	71.8	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-57.4	-40.9	173.7	-172.6	172.8	-175.2	168.4	0	112.6	S43 Q48 Q49	S43-K45 PolarHBondContact O-N 2.83Å; K45-Q48 PolarHBondContact O-N 3.05Å; K45-Q49 WeakPolarHBondContact O-CB 3.47Å; K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.26Å
46	G	82.7	Confident	82.5	Confident	17 Å²	17	71 Å²	71	18%	0.175	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-43.3	174.7	0	0	0	0	0	112.2	S43 S44 H50	S43-G46 WeakPolarHBondContact O-CA 3.25Å; S43-G46 PolarHBondContact O-N 2.86Å; S43-G46 PolarHBondContact OG-N 2.99Å; S43-G46 VanDerWaalsContact OG-N 3.11Å; S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.7Å; G46-H50 VanDerWaalsContact O-CB 3.28Å; G46-H50 WeakPolarHBondContact O-CB 3.42Å; G46-H50 PolarHBondContact O-N 3.31Å
47	L	83.8	Confident	82.2	Confident	37 Å²	37	71.2 Å²	71.2	19%	0.194	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-43.8	174.7	173.3	61.4	0	0	0	112	H32 Q33 C34 F41 S43 S44 H50 S51	H32-L47 HydrophobicContact CB-CB 3.68Å; H32-L47 HydrophobicContact CB-CD2 3.7Å; H32-L47 HydrophobicContact CB-CG 4.28Å; Q33-L47 WeakPolarHBondContact O-CD2 3.41Å; C34-L47 VanDerWaalsContact CA-CD1 3.46Å; C34-L47 HydrophobicContact CB-CD1 3.7Å; F41-L47 HydrophobicContact CB-CB 4.25Å; F41-L47 HydrophobicContact CD2-CB 4.05Å; F41-L47 HydrophobicContact CD2-CD1 3.9Å; F41-L47 HydrophobicContact CE2-CD1 4.17Å; F41-L47 HydrophobicContact CG-CB 4.31Å; S43-L47 PolarHBondContact O-N 2.81Å; S44-L47 CarbonylContact O-C 3.4Å; S44-L47 WeakPolarHBondContact O-CB 3.45Å; S44-L47 PolarHBondContact O-N 3.45Å; S44-L47 VanDerWaalsContact O-N 3.09Å; L47-H50 CarbonylContact O-C 3.55Å; L47-H50 WeakPolarHBondContact O-CA 3.29Å; L47-H50 WeakPolarHBondContact O-CB 3.36Å; L47-H50 PolarHBondContact O-N 3.16Å; L47-H50 VanDerWaalsContact O-N 3.16Å; L47-S51 PolarHBondContact O-N 2.78Å
48	Q	83.7	Confident	82.1	Confident	40 Å²	40	74.1 Å²	74.1	19%	0.187	39%	0.389	C	S	.	.	H	α-helix	trans	-62.7	-47.8	177.4	-74.3	-175.5	-25.3	0	0	111.7	L11 S44 K45 H50 S51	L11-Q48 HydrophobicContact CD2-CB 3.93Å; L11-Q48 PolarHBondContact O-OE1 3.33Å; S44-Q48 WeakPolarHBondContact O-CG 3.49Å; S44-Q48 PolarHBondContact O-N 3.09Å; K45-Q48 PolarHBondContact O-N 3.05Å; Q48-H50 PolarHBondContact O-N 2.9Å; Q48-S51 WeakPolarHBondContact O-CB 3.38Å; Q48-S51 PolarHBondContact O-N 2.71Å; Q48-S51 PolarHBondContact O-OG 3.15Å
49	Q	80.4	Confident	81.8	Confident	80 Å²	80	71.1 Å²	71.1	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-33.4	173.2	-76.6	-175.4	-12.7	0	0	112.1	L11 K45 I52	L11-Q49 HydrophobicContact CD1-CG 4.42Å; L11-Q49 HydrophobicContact CD2-CG 3.89Å; K45-Q49 WeakPolarHBondContact O-CB 3.47Å; K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.26Å; Q49-I52 WeakPolarHBondContact O-CG2 3.47Å
50	H	83.5	Confident	82	Confident	24 Å²	24	65.7 Å²	65.7	11%	0.111	35%	0.353	C	S	.	.	H	α-helix	trans	-70.2	-40.1	172.7	168.9	75.5	0	0	0	112	C34 C37 F41 G46 L47 Q48 I52 V53 H54	C34-H50 PolarHBondContact SG-NE2 3.38Å; C34-H50 VanDerWaalsContact SG-NE2 3.38Å; C37-H50 VanDerWaalsContact SG-CE1 3.53Å; C37-H50 PolarHBondContact SG-NE2 3.07Å; F41-H50 HydrophobicContact CD1-CB 4.48Å; F41-H50 HydrophobicContact CD2-CB 4.45Å; F41-H50 HydrophobicContact CE1-CB 3.72Å; F41-H50 HydrophobicContact CE2-CB 3.7Å; F41-H50 AromaticContact CE2-CD2 3.43Å; F41-H50 VanDerWaalsContact CE2-CD2 3.43Å; F41-H50 WeakPolarHBondContact CE2-CD2 3.35Å; F41-H50 AromaticContact CE2-CG 3.45Å; F41-H50 VanDerWaalsContact CE2-CG 3.45Å; F41-H50 HydrophobicContact CZ-CB 3.31Å; F41-H50 AromaticContact CZ-CD2 3.63Å; F41-H50 AromaticContact CZ-CE1 3.99Å; F41-H50 AromaticContact CZ-CG 3.13Å; F41-H50 AromaticContact CZ-ND1 3.42Å; F41-H50 WeakPolarHBondContact CZ-ND1 3.28Å; G46-H50 VanDerWaalsContact O-CB 3.28Å; G46-H50 WeakPolarHBondContact O-CB 3.42Å; G46-H50 PolarHBondContact O-N 3.31Å; L47-H50 CarbonylContact O-C 3.55Å; L47-H50 WeakPolarHBondContact O-CA 3.29Å; L47-H50 WeakPolarHBondContact O-CB 3.36Å; L47-H50 PolarHBondContact O-N 3.16Å; L47-H50 VanDerWaalsContact O-N 3.16Å; Q48-H50 PolarHBondContact O-N 2.9Å; H50-I52 PolarHBondContact O-N 3.49Å; H50-V53 WeakPolarHBondContact O-CB 3.43Å; H50-V53 VanDerWaalsContact O-CG1 3.28Å; H50-V53 WeakPolarHBondContact O-CG1 3.49Å; H50-V53 WeakPolarHBondContact O-CG2 3.45Å; H50-V53 PolarHBondContact O-N 3.08Å; H50-H54 AromaticContact CE1-NE2 3.81Å; H50-H54 AromaticContact NE2-CD2 3.99Å; H50-H54 AromaticContact NE2-NE2 3.24Å; H50-H54 PolarHBondContact NE2-NE2 3.46Å
51	S	81.9	Confident	82.2	Confident	55 Å²	55	64.2 Å²	64.2	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-55.1	-30.2	-175.4	75.8	0	0	0	0	113.5	L47 Q48 V53 H54	L47-S51 PolarHBondContact O-N 2.78Å; Q48-S51 WeakPolarHBondContact O-CB 3.38Å; Q48-S51 PolarHBondContact O-N 2.71Å; Q48-S51 PolarHBondContact O-OG 3.15Å; S51-V53 PolarHBondContact O-N 3.01Å; S51-V53 VanDerWaalsContact O-N 3.12Å; S51-H54 WeakPolarHBondContact O-CB 3.28Å; S51-H54 PolarHBondContact O-N 3.36Å
52	I	82.5	Confident	82.5	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.087	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.1	175.7	-159	171	0	0	0	112.8	F7 Q49 H50 H54 T55 P59 R70 F71	F7-I52 HydrophobicContact CD2-CD1 4.41Å; F7-I52 HydrophobicContact CE2-CD1 3.9Å; Q49-I52 WeakPolarHBondContact O-CG2 3.47Å; H50-I52 PolarHBondContact O-N 3.49Å; I52-H54 PolarHBondContact O-N 3.28Å; I52-T55 WeakPolarHBondContact CA-OG1 3.47Å; I52-T55 PolarHBondContact O-N 2.92Å; I52-T55 PolarHBondContact O-OG1 2.81Å; I52-P59 HydrophobicContact CD1-CG 4.25Å; I52-R70 HydrophobicContact CB-CG 4.48Å; I52-R70 HydrophobicContact CD1-CG 4.16Å; I52-R70 HydrophobicContact CG1-CG 4.09Å; I52-R70 HydrophobicContact CG2-CG 3.66Å; I52-R70 PolarHBondContact O-NE 3.06Å; I52-R70 PolarHBondContact O-NH2 3.49Å; I52-F71 HydrophobicContact CG2-CE1 3.8Å; I52-F71 HydrophobicContact CG2-CZ 3.92Å
53	V	81.6	Confident	82.7	Confident	52 Å²	52	61.8 Å²	61.8	32%	0.315	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-28	174.8	-52	0	0	0	0	112.4	H50 S51 R70	H50-V53 WeakPolarHBondContact O-CB 3.43Å; H50-V53 VanDerWaalsContact O-CG1 3.28Å; H50-V53 WeakPolarHBondContact O-CG1 3.49Å; H50-V53 WeakPolarHBondContact O-CG2 3.45Å; H50-V53 PolarHBondContact O-N 3.08Å; S51-V53 PolarHBondContact O-N 3.01Å; S51-V53 VanDerWaalsContact O-N 3.12Å; V53-R70 VanDerWaalsContact C-NH2 3.29Å; V53-R70 PolarHBondContact O-NH1 2.99Å; V53-R70 PolarHBondContact O-NH2 2.8Å
54	H	84.4	Confident	83	Confident	68 Å²	68	64.4 Å²	64.4	32%	0.315	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-23.9	178.9	-61.5	-60.5	0	0	0	113	C34 V36 H50 S51 I52 N56	C34-H54 PolarHBondContact SG-NE2 3.27Å; V36-H54 WeakPolarHBondContact CG1-ND1 2.98Å; H50-H54 AromaticContact CE1-NE2 3.81Å; H50-H54 AromaticContact NE2-CD2 3.99Å; H50-H54 AromaticContact NE2-NE2 3.24Å; H50-H54 PolarHBondContact NE2-NE2 3.46Å; S51-H54 WeakPolarHBondContact O-CB 3.28Å; S51-H54 PolarHBondContact O-N 3.36Å; I52-H54 PolarHBondContact O-N 3.28Å; H54-N56 PolarHBondContact O-N 3.1Å
55	T	75.4	Confident	83.4	Confident	74 Å²	74	64.7 Å²	64.7	45%	0.454	34%	0.339	S	S	.	.	S	Bend	trans	-86.3	3.5	-169.8	61.4	0	0	0	0	115.1	I52 R57	I52-T55 WeakPolarHBondContact CA-OG1 3.47Å; I52-T55 PolarHBondContact O-N 2.92Å; I52-T55 PolarHBondContact O-OG1 2.81Å; T55-R57 WeakPolarHBondContact O-CG 3.43Å; T55-R57 PolarHBondContact O-N 2.84Å
56	N	74.6	Confident	83.8	Confident	139 Å²	139	65.4 Å²	65.4	74%	0.743	34%	0.343	S	S	*	.			trans	48	3.6	-171.9	-73.8	-28.4	0	0	0	116.1	H54	H54-N56 PolarHBondContact O-N 3.1Å
57	R	80	Confident	84.2	Confident	110 Å²	110	70.8 Å²	70.8	42%	0.415	36%	0.362	S	S	.	.			trans	-70.9	135.7	178.6	-66.8	-172.8	76	-170.1	1.9	109.2	E6 T55	E6-R57 IonicContact OE1-CZ 3.71Å; E6-R57 IonicContact OE1-NH1 3.6Å; E6-R57 IonicContact OE1-NH2 2.84Å; E6-R57 PolarHBondContact OE1-NH2 3.14Å; T55-R57 WeakPolarHBondContact O-CG 3.43Å; T55-R57 PolarHBondContact O-N 2.84Å
58	K	84.9	Confident	84.4	Confident	112 Å²	112	71.2 Å²	71.2	49%	0.487	37%	0.368	S	S	.	.			trans	-129.6	76.4	176.6	-69.6	176.6	171.7	-170.4	0	108.5	F60 S68 F69	K58-F60 PolarHBondContact O-N 3.11Å; K58-S68 WeakPolarHBondContact CB-OG 3.5Å; K58-S68 WeakPolarHBondContact CD-O 2.93Å; K58-S68 VanDerWaalsContact CD-OG 3.29Å; K58-S68 WeakPolarHBondContact CD-OG 3.33Å; K58-S68 WeakPolarHBondContact O-CB 3.4Å; K58-F69 CarbonylContact C-O 3.46Å; K58-F69 VanDerWaalsContact CA-O 3.25Å; K58-F69 WeakPolarHBondContact CA-O 3.4Å
59	P	82.9	Confident	84.5	Confident	44 Å²	44	71.2 Å²	71.2	29%	0.286	37%	0.368	S	S	.	.			trans	-69.9	-18.8	-169	26.8	-33.1	0	0	0	113.6	I52 F69	I52-P59 HydrophobicContact CD1-CG 4.25Å; P59-F69 WeakPolarHBondContact CD-O 3.45Å
60	F	85.7	Confident	84.6	Confident	12 Å²	12	70 Å²	70	5%	0.053	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	107.5	-174.7	-58.4	-73.9	0	0	0	110.7	F7 K58 S68 F69 R70 K72 L75	F7-F60 HydrophobicContact CB-CZ 4.43Å; F7-F60 HydrophobicContact CD1-CZ 4.07Å; F7-F60 HydrophobicContact CD2-CE2 4.45Å; F7-F60 HydrophobicContact CD2-CZ 4.3Å; F7-F60 HydrophobicContact CE1-CZ 4.38Å; F7-F60 HydrophobicContact CG-CZ 4.01Å; K58-F60 PolarHBondContact O-N 3.11Å; F60-S68 CarbonylContact O-C 3.52Å; F60-S68 WeakPolarHBondContact O-CA 3.11Å; F60-F69 HydrophobicContact CB-CB 4.23Å; F60-F69 PolarHBondContact N-O 3.23Å; F60-F69 VanDerWaalsContact N-O 3.08Å; F60-F69 PolarHBondContact O-N 3.14Å; F60-R70 WeakPolarHBondContact CE2-O 3.31Å; F60-K72 HydrophobicContact CD1-CB 4.08Å; F60-K72 HydrophobicContact CD1-CG 4.43Å; F60-K72 HydrophobicContact CE1-CB 3.8Å; F60-K72 HydrophobicContact CE1-CD 4.38Å; F60-K72 HydrophobicContact CE1-CG 4.29Å; F60-K72 HydrophobicContact CE2-CB 4.34Å; F60-K72 HydrophobicContact CG-CB 4.48Å; F60-K72 HydrophobicContact CZ-CB 3.94Å; F60-L75 HydrophobicContact CB-CB 3.96Å; F60-L75 HydrophobicContact CB-CD2 3.83Å; F60-L75 HydrophobicContact CB-CG 4.48Å
61	V	88	Confident	84.4	Confident	61 Å²	61	71.9 Å²	71.9	37%	0.37	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.5	-176	-174.3	0	0	0	0	111
62	C	87.5	Confident	84.4	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.375	C	S	.	.			trans	-74.9	120	169.7	-179.7	0	0	0	0	110.1	V64 C65 Q66 K67 F69 L75 H78 H82	C62-V64 PolarHBondContact O-N 3.02Å; C62-C65 VanDerWaalsContact SG-SG 3.69Å; C62-Q66 WeakPolarHBondContact O-CA 3.48Å; C62-Q66 PolarHBondContact O-N 3.23Å; C62-K67 WeakPolarHBondContact CB-O 3.46Å; C62-K67 PolarHBondContact N-O 3.35Å; C62-F69 HydrophobicContact CB-CE2 4.35Å; C62-L75 HydrophobicContact CB-CD1 3.91Å; C62-H78 PolarHBondContact SG-NE2 3.05Å; C62-H78 VanDerWaalsContact SG-NE2 3.36Å; C62-H82 PolarHBondContact SG-NE2 2.92Å; C62-H82 VanDerWaalsContact SG-NE2 3.36Å
63	E	88.5	Confident	84	Confident	143 Å²	143	78 Å²	78	67%	0.668	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.8	179.4	-68.5	161	-141.9	0	0	112.8	Q66 R79	E63-Q66 PolarHBondContact O-NE2 3.15Å; E63-Q66 VanDerWaalsContact O-NE2 3.1Å; E63-R79 IonicContact OE1-NH2 2.92Å; E63-R79 PolarHBondContact OE1-NH2 3.09Å
64	V	86.9	Confident	84.1	Confident	106 Å²	106	78.6 Å²	78.6	64%	0.642	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-48.4	-178	-176.9	0	0	0	0	112.3	C62 H82	C62-V64 PolarHBondContact O-N 3.02Å; V64-H82 HydrophobicContact CG1-CB 4.42Å; V64-H82 HydrophobicContact CG2-CB 4.47Å
65	C	90.4	Very high	84.1	Confident	49 Å²	49	76.1 Å²	76.1	33%	0.331	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	4.7	-173.5	73.3	0	0	0	0	114.7	C62 K67 H78 H82	C62-C65 VanDerWaalsContact SG-SG 3.69Å; C65-K67 PolarHBondContact O-N 3.48Å; C65-H78 PolarHBondContact SG-NE2 3.42Å; C65-H82 PolarHBondContact SG-NE2 3.37Å
66	Q	90.9	Very high	84.4	Confident	133 Å²	133	79.1 Å²	79.1	62%	0.621	39%	0.394	S	S	*	.			trans	60.3	11.5	178.5	-56.1	-60.6	-37.7	0	0	115.2	C62 E63	C62-Q66 WeakPolarHBondContact O-CA 3.48Å; C62-Q66 PolarHBondContact O-N 3.23Å; E63-Q66 PolarHBondContact O-NE2 3.15Å; E63-Q66 VanDerWaalsContact O-NE2 3.1Å
67	K	89.8	Confident	84.4	Confident	130 Å²	130	76.6 Å²	76.6	57%	0.565	38%	0.377	S	S	*	.			trans	-66.8	134.4	170.7	-73.8	-178	-179.4	178.5	0	110.5	C62 C65 F69	C62-K67 WeakPolarHBondContact CB-O 3.46Å; C62-K67 PolarHBondContact N-O 3.35Å; C65-K67 PolarHBondContact O-N 3.48Å; K67-F69 HydrophobicContact CB-CE2 3.92Å; K67-F69 HydrophobicContact CB-CZ 4.04Å; K67-F69 WeakPolarHBondContact O-CE2 3.37Å
68	S	89.2	Confident	84.7	Confident	46 Å²	46	72.1 Å²	72.1	32%	0.322	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.6	-178.9	62.3	0	0	0	0	112.4	K58 F60	K58-S68 WeakPolarHBondContact CB-OG 3.5Å; K58-S68 WeakPolarHBondContact CD-O 2.93Å; K58-S68 VanDerWaalsContact CD-OG 3.29Å; K58-S68 WeakPolarHBondContact CD-OG 3.33Å; K58-S68 WeakPolarHBondContact O-CB 3.4Å; F60-S68 CarbonylContact O-C 3.52Å; F60-S68 WeakPolarHBondContact O-CA 3.11Å
69	F	85.6	Confident	84.5	Confident	40 Å²	40	71.5 Å²	71.5	18%	0.175	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.2	-175.2	-60	-87.5	0	0	0	110.8	K58 P59 F60 C62 K67 N74 L75 H78	K58-F69 CarbonylContact C-O 3.46Å; K58-F69 VanDerWaalsContact CA-O 3.25Å; K58-F69 WeakPolarHBondContact CA-O 3.4Å; P59-F69 WeakPolarHBondContact CD-O 3.45Å; F60-F69 HydrophobicContact CB-CB 4.23Å; F60-F69 PolarHBondContact N-O 3.23Å; F60-F69 VanDerWaalsContact N-O 3.08Å; F60-F69 PolarHBondContact O-N 3.14Å; C62-F69 HydrophobicContact CB-CE2 4.35Å; K67-F69 HydrophobicContact CB-CE2 3.92Å; K67-F69 HydrophobicContact CB-CZ 4.04Å; K67-F69 WeakPolarHBondContact O-CE2 3.37Å; F69-N74 HydrophobicContact CB-CB 4.21Å; F69-N74 HydrophobicContact CD1-CB 3.9Å; F69-N74 HydrophobicContact CG-CB 4.35Å; F69-L75 HydrophobicContact CB-CB 4.28Å; F69-L75 HydrophobicContact CD2-CB 4.02Å; F69-L75 HydrophobicContact CD2-CD1 3.8Å; F69-L75 HydrophobicContact CE2-CD1 4.06Å; F69-L75 HydrophobicContact CG-CB 4.29Å; F69-H78 HydrophobicContact CE1-CB 3.78Å; F69-H78 AromaticContact CE1-CG 4Å; F69-H78 HydrophobicContact CE2-CB 3.77Å; F69-H78 AromaticContact CE2-CD2 3.4Å; F69-H78 VanDerWaalsContact CE2-CD2 3.4Å; F69-H78 WeakPolarHBondContact CE2-CD2 3.4Å; F69-H78 AromaticContact CE2-CG 3.5Å; F69-H78 VanDerWaalsContact CE2-CG 3.5Å; F69-H78 HydrophobicContact CZ-CB 3.34Å; F69-H78 AromaticContact CZ-CD2 3.5Å; F69-H78 AromaticContact CZ-CG 3.1Å; F69-H78 AromaticContact CZ-ND1 3.48Å; F69-H78 WeakPolarHBondContact CZ-ND1 3.44Å
70	R	81.8	Confident	84	Confident	55 Å²	55	69.9 Å²	69.9	21%	0.208	35%	0.345	C	S	.	.	S	Bend	trans	-79.3	-30.4	-179.8	179.5	168.2	-85.5	152.7	-12.6	113.1	I52 V53 F60	I52-R70 HydrophobicContact CB-CG 4.48Å; I52-R70 HydrophobicContact CD1-CG 4.16Å; I52-R70 HydrophobicContact CG1-CG 4.09Å; I52-R70 HydrophobicContact CG2-CG 3.66Å; I52-R70 PolarHBondContact O-NE 3.06Å; I52-R70 PolarHBondContact O-NH2 3.49Å; V53-R70 VanDerWaalsContact C-NH2 3.29Å; V53-R70 PolarHBondContact O-NH1 2.99Å; V53-R70 PolarHBondContact O-NH2 2.8Å; F60-R70 WeakPolarHBondContact CE2-O 3.31Å
71	F	80.3	Confident	83.7	Confident	64 Å²	64	73.8 Å²	73.8	28%	0.281	37%	0.366	S	S	.	.	S	Bend	trans	-127.7	145.7	-178.5	-58.1	-67.6	0	0	0	111	I52 S73 N74 L75	I52-F71 HydrophobicContact CG2-CE1 3.8Å; I52-F71 HydrophobicContact CG2-CZ 3.92Å; F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.1Å; F71-N74 WeakPolarHBondContact O-CB 3.41Å; F71-N74 PolarHBondContact O-N 3.39Å; F71-N74 VanDerWaalsContact O-N 3.1Å; F71-L75 PolarHBondContact O-N 3.15Å
72	K	80.8	Confident	83.4	Confident	124 Å²	124	74.4 Å²	74.4	54%	0.539	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-37.5	178.5	-171.7	168.3	-176.3	155.8	0	112.7	D4 F60 N74 L75 F76	D4-K72 IonicContact OD1-NZ 2.84Å; D4-K72 PolarHBondContact OD1-NZ 3.33Å; F60-K72 HydrophobicContact CD1-CB 4.08Å; F60-K72 HydrophobicContact CD1-CG 4.43Å; F60-K72 HydrophobicContact CE1-CB 3.8Å; F60-K72 HydrophobicContact CE1-CD 4.38Å; F60-K72 HydrophobicContact CE1-CG 4.29Å; F60-K72 HydrophobicContact CE2-CB 4.34Å; F60-K72 HydrophobicContact CG-CB 4.48Å; F60-K72 HydrophobicContact CZ-CB 3.94Å; K72-N74 VanDerWaalsContact C-N 3.25Å; K72-N74 PolarHBondContact O-N 2.91Å; K72-L75 PolarHBondContact O-N 3.02Å; K72-F76 PolarHBondContact O-N 3.37Å
73	S	75.3	Confident	82.9	Confident	75 Å²	75	78 Å²	78	52%	0.524	39%	0.387	S	S	.	.	H	α-helix	trans	-55.7	-40.9	174	50.6	0	0	0	0	112.2	F71 F76 E77	F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.1Å; S73-F76 PolarHBondContact O-N 3.35Å; S73-E77 WeakPolarHBondContact O-CB 3.21Å; S73-E77 PolarHBondContact O-N 2.92Å
74	N	82.2	Confident	81.9	Confident	65 Å²	65	73.3 Å²	73.3	35%	0.348	38%	0.377	S	S	.	.	H	α-helix	trans	-73.8	-35.1	-178.6	-62.4	39.6	0	0	0	111.3	F69 F71 K72 H78	F69-N74 HydrophobicContact CB-CB 4.21Å; F69-N74 HydrophobicContact CD1-CB 3.9Å; F69-N74 HydrophobicContact CG-CB 4.35Å; F71-N74 WeakPolarHBondContact O-CB 3.41Å; F71-N74 PolarHBondContact O-N 3.39Å; F71-N74 VanDerWaalsContact O-N 3.1Å; K72-N74 VanDerWaalsContact C-N 3.25Å; K72-N74 PolarHBondContact O-N 2.91Å; N74-H78 WeakPolarHBondContact O-CB 3.48Å; N74-H78 PolarHBondContact O-N 3.21Å
75	L	85.9	Confident	81	Confident	17 Å²	17	74 Å²	74	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-65	-42.3	171.1	173.6	62.4	0	0	0	111	F60 C62 F69 F71 K72 H78 R79	F60-L75 HydrophobicContact CB-CB 3.96Å; F60-L75 HydrophobicContact CB-CD2 3.83Å; F60-L75 HydrophobicContact CB-CG 4.48Å; C62-L75 HydrophobicContact CB-CD1 3.91Å; F69-L75 HydrophobicContact CB-CB 4.28Å; F69-L75 HydrophobicContact CD2-CB 4.02Å; F69-L75 HydrophobicContact CD2-CD1 3.8Å; F69-L75 HydrophobicContact CE2-CD1 4.06Å; F69-L75 HydrophobicContact CG-CB 4.29Å; F71-L75 PolarHBondContact O-N 3.15Å; K72-L75 PolarHBondContact O-N 3.02Å; L75-H78 PolarHBondContact O-N 3.26Å; L75-R79 HydrophobicContact CD1-CG 4.32Å; L75-R79 WeakPolarHBondContact O-CG 2.94Å; L75-R79 PolarHBondContact O-N 2.94Å
76	F	80.3	Confident	80.1	Confident	137 Å²	137	74.9 Å²	74.9	60%	0.601	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-49.2	177.5	-177.8	-93.9	0	0	0	111.6	K72 S73 H78 R79	K72-F76 PolarHBondContact O-N 3.37Å; S73-F76 PolarHBondContact O-N 3.35Å; F76-H78 VanDerWaalsContact C-N 3.31Å; F76-H78 PolarHBondContact O-N 3.36Å; F76-R79 PolarHBondContact O-N 2.92Å
77	E	75.6	Confident	78.8	Confident	86 Å²	86	71.1 Å²	71.1	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-57.8	-42.1	172.1	144.4	165.9	-154.8	0	0	112.2	S73 R79 S80 L99	S73-E77 WeakPolarHBondContact O-CB 3.21Å; S73-E77 PolarHBondContact O-N 2.92Å; E77-R79 VanDerWaalsContact C-N 3.35Å; E77-R79 PolarHBondContact O-N 3.26Å; E77-S80 PolarHBondContact O-N 2.89Å; E77-S80 PolarHBondContact O-OG 2.93Å; E77-L99 HydrophobicContact CB-CD2 3.57Å; E77-L99 HydrophobicContact CG-CD1 4.5Å; E77-L99 HydrophobicContact CG-CD2 3.35Å; E77-L99 HydrophobicContact CG-CG 4.42Å; E77-L99 WeakPolarHBondContact OE1-CD1 3.44Å; E77-L99 WeakPolarHBondContact OE1-CD2 3.44Å
78	H	85.3	Confident	77.4	Confident	16 Å²	16	67.9 Å²	67.9	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-37.5	178.2	170.2	70.9	0	0	0	112.8	C62 C65 F69 N74 L75 F76 S80 I81 H82	C62-H78 PolarHBondContact SG-NE2 3.05Å; C62-H78 VanDerWaalsContact SG-NE2 3.36Å; C65-H78 PolarHBondContact SG-NE2 3.42Å; F69-H78 HydrophobicContact CE1-CB 3.78Å; F69-H78 AromaticContact CE1-CG 4Å; F69-H78 HydrophobicContact CE2-CB 3.77Å; F69-H78 AromaticContact CE2-CD2 3.4Å; F69-H78 VanDerWaalsContact CE2-CD2 3.4Å; F69-H78 WeakPolarHBondContact CE2-CD2 3.4Å; F69-H78 AromaticContact CE2-CG 3.5Å; F69-H78 VanDerWaalsContact CE2-CG 3.5Å; F69-H78 HydrophobicContact CZ-CB 3.34Å; F69-H78 AromaticContact CZ-CD2 3.5Å; F69-H78 AromaticContact CZ-CG 3.1Å; F69-H78 AromaticContact CZ-ND1 3.48Å; F69-H78 WeakPolarHBondContact CZ-ND1 3.44Å; N74-H78 WeakPolarHBondContact O-CB 3.48Å; N74-H78 PolarHBondContact O-N 3.21Å; L75-H78 PolarHBondContact O-N 3.26Å; F76-H78 VanDerWaalsContact C-N 3.31Å; F76-H78 PolarHBondContact O-N 3.36Å; H78-S80 PolarHBondContact O-N 3.46Å; H78-I81 VanDerWaalsContact O-CB 3.31Å; H78-I81 WeakPolarHBondContact O-CB 3.4Å; H78-I81 WeakPolarHBondContact O-CG1 3.2Å; H78-I81 PolarHBondContact O-N 3.24Å; H78-H82 AromaticContact CD2-NE2 3.9Å; H78-H82 AromaticContact CE1-NE2 3.49Å; H78-H82 PolarHBondContact CE1-NE2 3.25Å; H78-H82 AromaticContact NE2-CD2 3.78Å; H78-H82 AromaticContact NE2-NE2 3.01Å; H78-H82 PolarHBondContact NE2-NE2 3.36Å
79	R	80.7	Confident	75.8	Confident	98 Å²	98	68 Å²	68	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-31	179.7	-79.8	179.9	176.4	-154.6	-5	112.3	E63 L75 F76 E77 I81 H82 T83	E63-R79 IonicContact OE1-NH2 2.92Å; E63-R79 PolarHBondContact OE1-NH2 3.09Å; L75-R79 HydrophobicContact CD1-CG 4.32Å; L75-R79 WeakPolarHBondContact O-CG 2.94Å; L75-R79 PolarHBondContact O-N 2.94Å; F76-R79 PolarHBondContact O-N 2.92Å; E77-R79 VanDerWaalsContact C-N 3.35Å; E77-R79 PolarHBondContact O-N 3.26Å; R79-I81 PolarHBondContact O-N 3.24Å; R79-I81 VanDerWaalsContact O-N 3.09Å; R79-H82 PolarHBondContact O-N 2.84Å; R79-T83 PolarHBondContact O-N 3.12Å
80	S	74.1	Confident	74.4	Confident	10 Å²	10	66.3 Å²	66.3	7%	0.07	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-15.5	177.7	87	0	0	0	0	113.5	E77 H78 G84	E77-S80 PolarHBondContact O-N 2.89Å; E77-S80 PolarHBondContact O-OG 2.93Å; H78-S80 PolarHBondContact O-N 3.46Å; S80-G84 PolarHBondContact O-N 3Å
81	I	79.1	Confident	73	Confident	94 Å²	94	67 Å²	67	48%	0.482	35%	0.347	S	S	.	.	H	α-helix	trans	-74.3	-34.8	174.2	-57.4	172.3	0	0	0	110.8	H78 R79	H78-I81 VanDerWaalsContact O-CB 3.31Å; H78-I81 WeakPolarHBondContact O-CB 3.4Å; H78-I81 WeakPolarHBondContact O-CG1 3.2Å; H78-I81 PolarHBondContact O-N 3.24Å; R79-I81 PolarHBondContact O-N 3.24Å; R79-I81 VanDerWaalsContact O-N 3.09Å
82	H	81.7	Confident	71.5	Confident	75 Å²	75	65 Å²	65	35%	0.347	34%	0.339	S	S	.	.	H	α-helix	trans	-80.9	-39.6	-179.7	-62	-61.3	0	0	0	111.9	C62 V64 C65 H78 R79 G84	C62-H82 PolarHBondContact SG-NE2 2.92Å; C62-H82 VanDerWaalsContact SG-NE2 3.36Å; V64-H82 HydrophobicContact CG1-CB 4.42Å; V64-H82 HydrophobicContact CG2-CB 4.47Å; C65-H82 PolarHBondContact SG-NE2 3.37Å; H78-H82 AromaticContact CD2-NE2 3.9Å; H78-H82 AromaticContact CE1-NE2 3.49Å; H78-H82 PolarHBondContact CE1-NE2 3.25Å; H78-H82 AromaticContact NE2-CD2 3.78Å; H78-H82 AromaticContact NE2-NE2 3.01Å; H78-H82 PolarHBondContact NE2-NE2 3.36Å; R79-H82 PolarHBondContact O-N 2.84Å; H82-G84 VanDerWaalsContact C-N 3.29Å
83	T	75.8	Confident	70.3	Confident	76 Å²	76	60.9 Å²	60.9	47%	0.466	33%	0.325	S	S	.	.	H	α-helix	trans	-78.5	-17.4	-178.7	59.1	0	0	0	0	112.7	R79 E85	R79-T83 PolarHBondContact O-N 3.12Å; T83-E85 PolarHBondContact O-N 3.22Å; T83-E85 VanDerWaalsContact OG1-CB 3.3Å; T83-E85 WeakPolarHBondContact OG1-CB 3.31Å; T83-E85 VanDerWaalsContact OG1-CG 3.28Å; T83-E85 WeakPolarHBondContact OG1-CG 3.43Å; T83-E85 PolarHBondContact OG1-N 3.34Å; T83-E85 PolarHBondContact OG1-OE2 2.87Å
84	G	69	Low	70	Confident	44 Å²	44	62.2 Å²	62.2	45%	0.454	33%	0.334	S	S	.	.			trans	63.3	16.7	-169	0	0	0	0	0	112.3	S80 H82 H86	S80-G84 PolarHBondContact O-N 3Å; H82-G84 VanDerWaalsContact C-N 3.29Å; G84-H86 PolarHBondContact O-CD2 3.24Å; G84-H86 VanDerWaalsContact O-CD2 3.27Å
85	E	68.1	Low	69.1	Low	121 Å²	121	64.5 Å²	64.5	57%	0.565	34%	0.341	S	S	*	.			trans	-76.8	131.1	179.1	-71.6	168	154.8	0	0	110.3	T83 P87	T83-E85 PolarHBondContact O-N 3.22Å; T83-E85 VanDerWaalsContact OG1-CB 3.3Å; T83-E85 WeakPolarHBondContact OG1-CB 3.31Å; T83-E85 VanDerWaalsContact OG1-CG 3.28Å; T83-E85 WeakPolarHBondContact OG1-CG 3.43Å; T83-E85 PolarHBondContact OG1-N 3.34Å; T83-E85 PolarHBondContact OG1-OE2 2.87Å; E85-P87 VanDerWaalsContact C-CD 3.47Å; E85-P87 VanDerWaalsContact O-CD 3.27Å; E85-P87 WeakPolarHBondContact O-CD 3.36Å
86	H	70.2	Confident	68.1	Low	67 Å²	67	66.6 Å²	66.6	31%	0.31	35%	0.354	S	S	.	.			trans	-114.8	78.1	171.7	-70.4	-123.7	0	0	0	108.5	G84 Y88 T96 C97 R98	G84-H86 PolarHBondContact O-CD2 3.24Å; G84-H86 VanDerWaalsContact O-CD2 3.27Å; H86-Y88 PolarHBondContact O-N 3.04Å; H86-Y88 VanDerWaalsContact O-N 3.08Å; H86-T96 WeakPolarHBondContact CB-OG1 3.4Å; H86-T96 PolarHBondContact ND1-O 3.02Å; H86-T96 VanDerWaalsContact ND1-O 3.07Å; H86-T96 PolarHBondContact ND1-OG1 3.47Å; H86-C97 CarbonylContact C-O 3.52Å; H86-R98 PolarHBondContact NE2-NE 3.42Å; H86-R98 VanDerWaalsContact NE2-NE 3.12Å
87	P	64.1	Low	67.3	Low	54 Å²	54	60.5 Å²	60.5	35%	0.351	33%	0.329	S	S	.	.			trans	-66.4	-15.3	-170.1	25.9	-34.6	0	0	0	113.5	E85	E85-P87 VanDerWaalsContact C-CD 3.47Å; E85-P87 VanDerWaalsContact O-CD 3.27Å; E85-P87 WeakPolarHBondContact O-CD 3.36Å
88	Y	60.7	Low	66.9	Low	62 Å²	62	61 Å²	61	24%	0.243	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	100.3	-178.1	-55.9	-73.9	0	0	0	110.6	H86 T96 C97 R98 K100	H86-Y88 PolarHBondContact O-N 3.04Å; H86-Y88 VanDerWaalsContact O-N 3.08Å; Y88-T96 CarbonylContact O-C 3.58Å; Y88-T96 WeakPolarHBondContact O-CA 3.44Å; Y88-C97 WeakPolarHBondContact CB-O 3.48Å; Y88-C97 WeakPolarHBondContact CD2-O 3.38Å; Y88-C97 PolarHBondContact N-O 3.12Å; Y88-C97 VanDerWaalsContact N-O 3.11Å; Y88-C97 PolarHBondContact O-N 3.45Å; Y88-R98 WeakPolarHBondContact CD2-O 3.48Å; Y88-R98 WeakPolarHBondContact CE2-O 3.44Å; Y88-K100 HydrophobicContact CD1-CB 4.25Å; Y88-K100 VanDerWaalsContact CD2-N 3.32Å; Y88-K100 HydrophobicContact CE1-CB 3.88Å; Y88-K100 HydrophobicContact CE1-CG 4.4Å; Y88-K100 HydrophobicContact CE2-CB 4.25Å; Y88-K100 VanDerWaalsContact CE2-N 3.26Å
89	V	55.9	Low	66.1	Low	48 Å²	48	62.1 Å²	62.1	29%	0.291	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.1	178.2	-174.3	0	0	0	0	110.1	T96	V89-T96 HydrophobicContact CG1-CG2 4.29Å; V89-T96 HydrophobicContact CG2-CG2 4.01Å
90	C	56.4	Low	65.5	Low	5 Å²	5	64.8 Å²	64.8	3%	0.034	35%	0.348	C	S	.	.			trans	-72.2	128.6	169.7	-175	0	0	0	0	110.3	F92 C93 K95 L103 H106 H110	C90-F92 PolarHBondContact O-N 3.49Å; C90-F92 PolarHBondContact SG-N 3.05Å; C90-F92 VanDerWaalsContact SG-N 3.43Å; C90-C93 WeakPolarHBondContact CB-O 3.28Å; C90-K95 HydrophobicContact CB-CB 4.45Å; C90-K95 VanDerWaalsContact CB-O 3.23Å; C90-K95 WeakPolarHBondContact CB-O 3.3Å; C90-K95 PolarHBondContact N-O 3.46Å; C90-L103 HydrophobicContact CB-CD1 4Å; C90-H106 WeakPolarHBondContact CB-NE2 3.49Å; C90-H106 VanDerWaalsContact SG-CD2 3.51Å; C90-H106 PolarHBondContact SG-NE2 3.23Å; C90-H110 PolarHBondContact SG-NE2 3.09Å
91	P	51.2	Low	65.3	Low	70 Å²	70	66.4 Å²	66.4	46%	0.455	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.7	177	29.4	-35.1	0	0	0	113.2	L107	P91-L107 HydrophobicContact CG-CD2 4.32Å
92	F	49.8	Very low	65.1	Low	22 Å²	22	65.4 Å²	65.4	10%	0.096	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-15.2	-169.1	-63.1	-39.6	0	0	0	114.6	C90 L107 H110 F211 I214	C90-F92 PolarHBondContact O-N 3.49Å; C90-F92 PolarHBondContact SG-N 3.05Å; C90-F92 VanDerWaalsContact SG-N 3.43Å; F92-L107 HydrophobicContact CD2-CD2 3.66Å; F92-L107 HydrophobicContact CE2-CD2 3.73Å; F92-H110 HydrophobicContact CD2-CB 4.14Å; F92-H110 AromaticContact CD2-CD2 3.89Å; F92-H110 AromaticContact CD2-CG 3.88Å; F92-F211 HydrophobicContact CB-CD1 3.95Å; F92-F211 HydrophobicContact CB-CE1 3.18Å; F92-F211 HydrophobicContact CB-CE2 4.41Å; F92-F211 HydrophobicContact CB-CZ 3.44Å; F92-F211 VanDerWaalsContact CB-CZ 3.44Å; F92-F211 AromaticContact CD1-CD1 3.34Å; F92-F211 HydrophobicContact CD1-CD1 3.34Å; F92-F211 AromaticContact CD1-CD2 3.42Å; F92-F211 HydrophobicContact CD1-CD2 3.42Å; F92-F211 VanDerWaalsContact CD1-CD2 3.42Å; F92-F211 AromaticContact CD1-CE1 3.24Å; F92-F211 HydrophobicContact CD1-CE1 3.24Å; F92-F211 AromaticContact CD1-CE2 3.28Å; F92-F211 HydrophobicContact CD1-CE2 3.28Å; F92-F211 AromaticContact CD1-CG 3.48Å; F92-F211 HydrophobicContact CD1-CG 3.48Å; F92-F211 VanDerWaalsContact CD1-CG 3.48Å; F92-F211 AromaticContact CD1-CZ 3.19Å; F92-F211 HydrophobicContact CD1-CZ 3.19Å; F92-F211 AromaticContact CD2-CD1 3.81Å; F92-F211 HydrophobicContact CD2-CD1 3.81Å; F92-F211 AromaticContact CD2-CE1 3.96Å; F92-F211 HydrophobicContact CD2-CE1 3.96Å; F92-F211 HydrophobicContact CD2-CG 4.48Å; F92-F211 HydrophobicContact CE1-CB 4.08Å; F92-F211 AromaticContact CE1-CD1 3.68Å; F92-F211 HydrophobicContact CE1-CD1 3.68Å; F92-F211 AromaticContact CE1-CD2 3.45Å; F92-F211 HydrophobicContact CE1-CD2 3.45Å; F92-F211 VanDerWaalsContact CE1-CD2 3.45Å; F92-F211 HydrophobicContact CE1-CE1 4.06Å; F92-F211 AromaticContact CE1-CE2 3.82Å; F92-F211 HydrophobicContact CE1-CE2 3.82Å; F92-F211 AromaticContact CE1-CG 3.41Å; F92-F211 HydrophobicContact CE1-CG 3.41Å; F92-F211 VanDerWaalsContact CE1-CG 3.41Å; F92-F211 HydrophobicContact CE1-CZ 4.11Å; F92-F211 HydrophobicContact CE2-CD1 4.13Å; F92-F211 HydrophobicContact CE2-CG 4.44Å; F92-F211 AromaticContact CG-CD1 3.41Å; F92-F211 HydrophobicContact CG-CD1 3.41Å; F92-F211 VanDerWaalsContact CG-CD1 3.41Å; F92-F211 HydrophobicContact CG-CD2 4.32Å; F92-F211 AromaticContact CG-CE1 3.16Å; F92-F211 HydrophobicContact CG-CE1 3.16Å; F92-F211 HydrophobicContact CG-CE2 4.1Å; F92-F211 HydrophobicContact CG-CG 4.04Å; F92-F211 AromaticContact CG-CZ 3.53Å; F92-F211 HydrophobicContact CG-CZ 3.53Å; F92-F211 HydrophobicContact CZ-CB 4.21Å; F92-F211 HydrophobicContact CZ-CD1 4.07Å; F92-F211 HydrophobicContact CZ-CD2 4.39Å; F92-F211 AromaticContact CZ-CG 3.93Å; F92-F211 HydrophobicContact CZ-CG 3.93Å; F92-I214 HydrophobicContact CE1-CD1 3.95Å; F92-I214 HydrophobicContact CZ-CB 4.06Å; F92-I214 HydrophobicContact CZ-CD1 3.91Å; F92-I214 HydrophobicContact CZ-CG2 3.94Å
93	C	55.4	Low	64.5	Low	36 Å²	36	62.4 Å²	62.4	24%	0.243	35%	0.348	C	S	.	.	S	Bend	trans	-158.4	171.1	178	74.1	0	0	0	0	109.6	C90 K95 H106	C90-C93 WeakPolarHBondContact CB-O 3.28Å; C93-K95 PolarHBondContact O-N 2.93Å; C93-K95 WeakPolarHBondContact SG-CB 3.36Å; C93-K95 PolarHBondContact SG-N 3.43Å; C93-H106 VanDerWaalsContact SG-CE1 3.53Å; C93-H106 PolarHBondContact SG-NE2 3.47Å
94	S	67.6	Low	64	Low	104 Å²	104	64.2 Å²	64.2	73%	0.727	35%	0.349	S	S	*	.	S	Bend	trans	-71.3	4.5	-177.9	-47.2	0	0	0	0	114.8	T96	S94-T96 PolarHBondContact O-N 3.29Å
95	K	64.5	Low	64.1	Low	113 Å²	113	69.2 Å²	69.2	49%	0.491	36%	0.358	S	S	.	.			trans	-72.6	125.3	-176.4	-169	167.8	-172.9	165.6	0	111.1	C90 C93	C90-K95 HydrophobicContact CB-CB 4.45Å; C90-K95 VanDerWaalsContact CB-O 3.23Å; C90-K95 WeakPolarHBondContact CB-O 3.3Å; C90-K95 PolarHBondContact N-O 3.46Å; C93-K95 PolarHBondContact O-N 2.93Å; C93-K95 WeakPolarHBondContact SG-CB 3.36Å; C93-K95 PolarHBondContact SG-N 3.43Å
96	T	64.7	Low	64.2	Low	60 Å²	60	64.4 Å²	64.4	37%	0.368	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.3	175.6	66.8	0	0	0	0	110.3	H86 Y88 V89 S94	H86-T96 WeakPolarHBondContact CB-OG1 3.4Å; H86-T96 PolarHBondContact ND1-O 3.02Å; H86-T96 VanDerWaalsContact ND1-O 3.07Å; H86-T96 PolarHBondContact ND1-OG1 3.47Å; Y88-T96 CarbonylContact O-C 3.58Å; Y88-T96 WeakPolarHBondContact O-CA 3.44Å; V89-T96 HydrophobicContact CG1-CG2 4.29Å; V89-T96 HydrophobicContact CG2-CG2 4.01Å; S94-T96 PolarHBondContact O-N 3.29Å
97	C	63	Low	63.7	Low	9 Å²	9	63 Å²	63	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.3	-176.4	-69.7	0	0	0	0	109.8	H86 Y88 L99 N102 L103	H86-C97 CarbonylContact C-O 3.52Å; Y88-C97 WeakPolarHBondContact CB-O 3.48Å; Y88-C97 WeakPolarHBondContact CD2-O 3.38Å; Y88-C97 PolarHBondContact N-O 3.12Å; Y88-C97 VanDerWaalsContact N-O 3.11Å; Y88-C97 PolarHBondContact O-N 3.45Å; C97-L99 PolarHBondContact O-N 3.43Å; C97-N102 HydrophobicContact CB-CB 4.11Å; C97-L103 HydrophobicContact CB-CB 4.08Å
98	R	66.9	Low	63.8	Low	97 Å²	97	66.3 Å²	66.3	37%	0.366	34%	0.339	S	S	.	.	S	Bend	trans	-68.9	-24.7	169.8	-65	-177.4	-173.9	175.6	-0	112.4	H86 Y88	H86-R98 PolarHBondContact NE2-NE 3.42Å; H86-R98 VanDerWaalsContact NE2-NE 3.12Å; Y88-R98 WeakPolarHBondContact CD2-O 3.48Å; Y88-R98 WeakPolarHBondContact CE2-O 3.44Å
99	L	68.3	Low	64	Low	39 Å²	39	65.9 Å²	65.9	20%	0.204	34%	0.343	C	S	.	.	S	Bend	trans	-130.3	140.4	-172.2	-59.4	170.3	0	0	0	113.3	E77 C97 G101 N102 L103	E77-L99 HydrophobicContact CB-CD2 3.57Å; E77-L99 HydrophobicContact CG-CD1 4.5Å; E77-L99 HydrophobicContact CG-CD2 3.35Å; E77-L99 HydrophobicContact CG-CG 4.42Å; E77-L99 WeakPolarHBondContact OE1-CD1 3.44Å; E77-L99 WeakPolarHBondContact OE1-CD2 3.44Å; C97-L99 PolarHBondContact O-N 3.43Å; L99-G101 PolarHBondContact O-N 3.27Å; L99-N102 HydrophobicContact CB-CB 4.23Å; L99-N102 WeakPolarHBondContact O-CB 3.38Å; L99-N102 PolarHBondContact O-N 3.27Å; L99-L103 PolarHBondContact O-N 3.23Å
100	K	68.9	Low	64.1	Low	155 Å²	155	64.3 Å²	64.3	67%	0.674	33%	0.332	S	S	*	.	H	α-helix	trans	-56.9	-38.1	172.7	-171.7	172.5	-176.8	169.9	0	112.3	Y88 N102 L103 K104	Y88-K100 HydrophobicContact CD1-CB 4.25Å; Y88-K100 VanDerWaalsContact CD2-N 3.32Å; Y88-K100 HydrophobicContact CE1-CB 3.88Å; Y88-K100 HydrophobicContact CE1-CG 4.4Å; Y88-K100 HydrophobicContact CE2-CB 4.25Å; Y88-K100 VanDerWaalsContact CE2-N 3.26Å; K100-N102 VanDerWaalsContact C-N 3.33Å; K100-N102 PolarHBondContact O-N 3.28Å; K100-L103 PolarHBondContact O-N 3.46Å; K100-K104 PolarHBondContact O-N 3.07Å
101	G	69.6	Low	63.9	Low	43 Å²	43	66.5 Å²	66.5	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-36.9	176.5	0	0	0	0	0	113.1	L99 K104 K105	L99-G101 PolarHBondContact O-N 3.27Å; G101-K104 PolarHBondContact O-N 3.22Å; G101-K105 WeakPolarHBondContact O-CG 3.47Å; G101-K105 PolarHBondContact O-N 3.17Å
102	N	75.1	Confident	64.2	Low	74 Å²	74	69.7 Å²	69.7	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-71.3	-42.1	177.1	-69.7	-3.7	0	0	0	111	C97 L99 K100 K104 K105 H106	C97-N102 HydrophobicContact CB-CB 4.11Å; L99-N102 HydrophobicContact CB-CB 4.23Å; L99-N102 WeakPolarHBondContact O-CB 3.38Å; L99-N102 PolarHBondContact O-N 3.27Å; K100-N102 VanDerWaalsContact C-N 3.33Å; K100-N102 PolarHBondContact O-N 3.28Å; N102-K104 VanDerWaalsContact C-N 3.34Å; N102-K104 PolarHBondContact O-N 2.95Å; N102-K105 PolarHBondContact O-N 3.26Å; N102-H106 WeakPolarHBondContact O-CB 3.3Å; N102-H106 PolarHBondContact O-N 2.92Å
103	L	69	Low	64.1	Low	12 Å²	12	71.3 Å²	71.3	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-58.3	-46.9	171.8	177.7	60	0	0	0	110.5	C90 C97 L99 K100 K105 H106 L107	C90-L103 HydrophobicContact CB-CD1 4Å; C97-L103 HydrophobicContact CB-CB 4.08Å; L99-L103 PolarHBondContact O-N 3.23Å; K100-L103 PolarHBondContact O-N 3.46Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.4Å; L103-H106 CarbonylContact O-C 3.38Å; L103-H106 WeakPolarHBondContact O-CB 3.45Å; L103-H106 PolarHBondContact O-N 3.15Å; L103-H106 VanDerWaalsContact O-N 3.12Å; L103-L107 HydrophobicContact CD1-CD1 4.41Å; L103-L107 HydrophobicContact CD1-CD2 4.34Å; L103-L107 HydrophobicContact CD1-CG 4.07Å; L103-L107 HydrophobicContact CG-CD1 4.13Å; L103-L107 HydrophobicContact CG-CG 4.26Å; L103-L107 VanDerWaalsContact O-CG 3.3Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 3.07Å
104	K	66.5	Low	63.9	Low	114 Å²	114	70.5 Å²	70.5	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-59	-40.9	177.2	-170.4	-178.6	-176.4	-172.7	0	112.9	K100 G101 N102 K108	K100-K104 PolarHBondContact O-N 3.07Å; G101-K104 PolarHBondContact O-N 3.22Å; N102-K104 VanDerWaalsContact C-N 3.34Å; N102-K104 PolarHBondContact O-N 2.95Å; K104-K108 PolarHBondContact O-N 3.23Å
105	K	69.9	Low	63.1	Low	149 Å²	149	69.2 Å²	69.2	65%	0.648	34%	0.339	S	S	*	.	H	α-helix	trans	-65.1	-42.7	175.1	-75.1	177.8	179.7	179.5	0	111.2	G101 N102 L103 K108	G101-K105 WeakPolarHBondContact O-CG 3.47Å; G101-K105 PolarHBondContact O-N 3.17Å; N102-K105 PolarHBondContact O-N 3.26Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.4Å; K105-K108 WeakPolarHBondContact O-CB 3.3Å; K105-K108 PolarHBondContact O-N 3.26Å
106	H	70.4	Confident	62.4	Low	20 Å²	20	69 Å²	69	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-41.3	176.4	171.2	50.1	0	0	0	112.6	C90 C93 N102 L103 K108 T109 H110	C90-H106 WeakPolarHBondContact CB-NE2 3.49Å; C90-H106 VanDerWaalsContact SG-CD2 3.51Å; C90-H106 PolarHBondContact SG-NE2 3.23Å; C93-H106 VanDerWaalsContact SG-CE1 3.53Å; C93-H106 PolarHBondContact SG-NE2 3.47Å; N102-H106 WeakPolarHBondContact O-CB 3.3Å; N102-H106 PolarHBondContact O-N 2.92Å; L103-H106 CarbonylContact O-C 3.38Å; L103-H106 WeakPolarHBondContact O-CB 3.45Å; L103-H106 PolarHBondContact O-N 3.15Å; L103-H106 VanDerWaalsContact O-N 3.12Å; H106-K108 PolarHBondContact O-N 2.94Å; H106-K108 VanDerWaalsContact O-N 3.09Å; H106-T109 PolarHBondContact ND1-OG1 2.83Å; H106-T109 WeakPolarHBondContact O-CB 3.47Å; H106-T109 PolarHBondContact O-N 3.24Å; H106-T109 PolarHBondContact O-OG1 3.38Å; H106-H110 AromaticContact CD2-NE2 3.88Å; H106-H110 AromaticContact CE1-CD2 3.72Å; H106-H110 AromaticContact CE1-CE1 3.91Å; H106-H110 AromaticContact CE1-NE2 3.04Å; H106-H110 PolarHBondContact CE1-NE2 3.48Å; H106-H110 AromaticContact ND1-NE2 3.94Å; H106-H110 AromaticContact NE2-CD2 3.7Å; H106-H110 AromaticContact NE2-NE2 2.96Å; H106-H110 PolarHBondContact NE2-NE2 2.78Å
107	L	59.4	Low	61.4	Low	37 Å²	37	69.1 Å²	69.1	19%	0.194	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-27.3	174.8	-70.3	174	0	0	0	112.7	P91 F92 L103 T109 H110 I111	P91-L107 HydrophobicContact CG-CD2 4.32Å; F92-L107 HydrophobicContact CD2-CD2 3.66Å; F92-L107 HydrophobicContact CE2-CD2 3.73Å; L103-L107 HydrophobicContact CD1-CD1 4.41Å; L103-L107 HydrophobicContact CD1-CD2 4.34Å; L103-L107 HydrophobicContact CD1-CG 4.07Å; L103-L107 HydrophobicContact CG-CD1 4.13Å; L103-L107 HydrophobicContact CG-CG 4.26Å; L103-L107 VanDerWaalsContact O-CG 3.3Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 3.07Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.28Å; L107-H110 PolarHBondContact O-N 3.23Å; L107-I111 PolarHBondContact O-N 2.86Å
108	K	67.3	Low	60.7	Low	123 Å²	123	70.5 Å²	70.5	54%	0.535	34%	0.344	S	S	.	.	H	α-helix	trans	-70.4	-22.1	172.8	-62.7	179.8	176.6	-168.8	0	113.6	K104 K105 H106 K112	K104-K108 PolarHBondContact O-N 3.23Å; K105-K108 WeakPolarHBondContact O-CB 3.3Å; K105-K108 PolarHBondContact O-N 3.26Å; H106-K108 PolarHBondContact O-N 2.94Å; H106-K108 VanDerWaalsContact O-N 3.09Å; K108-K112 WeakPolarHBondContact O-CG 3.49Å; K108-K112 PolarHBondContact O-N 3.04Å
109	T	65.1	Low	60.3	Low	53 Å²	53	73 Å²	73	33%	0.325	35%	0.353	S	S	.	.	H	α-helix	trans	-71.7	-42.2	175.2	71.8	0	0	0	0	110	H106 L107 I111 K112 E113	H106-T109 PolarHBondContact ND1-OG1 2.83Å; H106-T109 WeakPolarHBondContact O-CB 3.47Å; H106-T109 PolarHBondContact O-N 3.24Å; H106-T109 PolarHBondContact O-OG1 3.38Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.28Å; T109-I111 VanDerWaalsContact C-N 3.26Å; T109-I111 PolarHBondContact O-N 3.37Å; T109-K112 PolarHBondContact O-N 3.21Å; T109-K112 VanDerWaalsContact O-N 3.07Å; T109-E113 WeakPolarHBondContact O-CB 3.27Å; T109-E113 VanDerWaalsContact O-CG 3.3Å; T109-E113 WeakPolarHBondContact O-CG 3.47Å; T109-E113 PolarHBondContact O-N 3.11Å
110	H	57.1	Low	59.4	Low	15 Å²	15	73.8 Å²	73.8	7%	0.069	37%	0.365	C	S	.	.	H	α-helix	trans	-56.7	-38.4	172.5	-68.4	-67.9	0	0	0	112.9	C90 F92 H106 L107 E113 A114 F211	C90-H110 PolarHBondContact SG-NE2 3.09Å; F92-H110 HydrophobicContact CD2-CB 4.14Å; F92-H110 AromaticContact CD2-CD2 3.89Å; F92-H110 AromaticContact CD2-CG 3.88Å; H106-H110 AromaticContact CD2-NE2 3.88Å; H106-H110 AromaticContact CE1-CD2 3.72Å; H106-H110 AromaticContact CE1-CE1 3.91Å; H106-H110 AromaticContact CE1-NE2 3.04Å; H106-H110 PolarHBondContact CE1-NE2 3.48Å; H106-H110 AromaticContact ND1-NE2 3.94Å; H106-H110 AromaticContact NE2-CD2 3.7Å; H106-H110 AromaticContact NE2-NE2 2.96Å; H106-H110 PolarHBondContact NE2-NE2 2.78Å; L107-H110 PolarHBondContact O-N 3.23Å; H110-E113 IonicContact ND1-OE2 3.67Å; H110-A114 WeakPolarHBondContact O-CB 3.15Å; H110-A114 PolarHBondContact O-N 3.47Å; H110-F211 HydrophobicContact CB-CD1 4.33Å; H110-F211 AromaticContact ND1-CE1 3.96Å
111	I	52.6	Low	58.3	Low	51 Å²	51	71.4 Å²	71.4	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-44.7	175.8	-62.3	169.7	0	0	0	111	L107 T109 A114 D115 A215	L107-I111 PolarHBondContact O-N 2.86Å; T109-I111 VanDerWaalsContact C-N 3.26Å; T109-I111 PolarHBondContact O-N 3.37Å; I111-A114 WeakPolarHBondContact O-CB 3.45Å; I111-A114 PolarHBondContact O-N 2.81Å; I111-D115 PolarHBondContact O-N 2.96Å; I111-A215 HydrophobicContact CD1-CB 3.78Å; I111-A215 HydrophobicContact CG1-CB 3.96Å
112	K	56.2	Low	57.6	Low	137 Å²	137	71.8 Å²	71.8	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-64.6	-42.3	178.3	-70.9	178.3	177.1	-169	0	112.1	K108 T109 A114 D115 E116	K108-K112 WeakPolarHBondContact O-CG 3.49Å; K108-K112 PolarHBondContact O-N 3.04Å; T109-K112 PolarHBondContact O-N 3.21Å; T109-K112 VanDerWaalsContact O-N 3.07Å; K112-A114 VanDerWaalsContact C-N 3.28Å; K112-A114 PolarHBondContact O-N 3.16Å; K112-D115 PolarHBondContact O-N 3.13Å; K112-E116 WeakPolarHBondContact O-CG 3.38Å; K112-E116 PolarHBondContact O-N 3.47Å
113	E	49.6	Very low	57.2	Low	57 Å²	57	72.3 Å²	72.3	27%	0.266	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-43.6	174.4	-71.6	162.6	-148.5	0	0	109.7	T109 H110 E116 I117	T109-E113 WeakPolarHBondContact O-CB 3.27Å; T109-E113 VanDerWaalsContact O-CG 3.3Å; T109-E113 WeakPolarHBondContact O-CG 3.47Å; T109-E113 PolarHBondContact O-N 3.11Å; H110-E113 IonicContact ND1-OE2 3.67Å; E113-E116 PolarHBondContact O-N 3.39Å; E113-I117 WeakPolarHBondContact O-CD1 3.29Å; E113-I117 WeakPolarHBondContact O-CG1 3.27Å; E113-I117 PolarHBondContact O-N 2.69Å
114	A	49.6	Very low	56.4	Low	18 Å²	18	77.8 Å²	77.8	15%	0.149	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-43.7	174.1	0	0	0	0	0	113.2	H110 I111 K112 E116 I117 D118 L212	H110-A114 WeakPolarHBondContact O-CB 3.15Å; H110-A114 PolarHBondContact O-N 3.47Å; I111-A114 WeakPolarHBondContact O-CB 3.45Å; I111-A114 PolarHBondContact O-N 2.81Å; K112-A114 VanDerWaalsContact C-N 3.28Å; K112-A114 PolarHBondContact O-N 3.16Å; A114-E116 VanDerWaalsContact C-N 3.28Å; A114-E116 PolarHBondContact O-N 3Å; A114-I117 PolarHBondContact O-N 2.72Å; A114-D118 PolarHBondContact O-N 2.73Å; A114-L212 HydrophobicContact CB-CD2 4.29Å
115	D	51.1	Low	55.6	Low	77 Å²	77	75.1 Å²	75.1	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-65.1	-31.1	176.6	-69	-23.9	0	0	0	112.5	I111 K112 R119	I111-D115 PolarHBondContact O-N 2.96Å; K112-D115 PolarHBondContact O-N 3.13Å; D115-R119 WeakPolarHBondContact O-CB 3.41Å; D115-R119 WeakPolarHBondContact O-CG 3.16Å; D115-R119 PolarHBondContact O-N 3.08Å; D115-R119 VanDerWaalsContact O-N 3.15Å; D115-R119 PolarHBondContact O-NE 3Å
116	E	49.5	Very low	54.7	Low	110 Å²	110	70.6 Å²	70.6	51%	0.514	38%	0.381	S	S	.	.	H	α-helix	trans	-71.3	-40	174	-76.9	172.3	-172.3	0	0	111.9	K112 E113 A114 R119 A120	K112-E116 WeakPolarHBondContact O-CG 3.38Å; K112-E116 PolarHBondContact O-N 3.47Å; E113-E116 PolarHBondContact O-N 3.39Å; A114-E116 VanDerWaalsContact C-N 3.28Å; A114-E116 PolarHBondContact O-N 3Å; E116-R119 PolarHBondContact O-N 2.92Å; E116-R119 IonicContact OE1-NH2 3.87Å; E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 3.41Å
117	I	45.2	Very low	53.5	Low	62 Å²	62	73.5 Å²	73.5	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-47	174.7	-65.2	163.1	0	0	0	110.8	E113 A114 R119 A120 Y121 L175	E113-I117 WeakPolarHBondContact O-CD1 3.29Å; E113-I117 WeakPolarHBondContact O-CG1 3.27Å; E113-I117 PolarHBondContact O-N 2.69Å; A114-I117 PolarHBondContact O-N 2.72Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.23Å; I117-A120 PolarHBondContact O-N 3.41Å; I117-Y121 WeakPolarHBondContact O-CB 3.48Å; I117-Y121 PolarHBondContact O-N 3.48Å; I117-L175 HydrophobicContact CD1-CD1 3.4Å; I117-L175 HydrophobicContact CD1-CD2 3.51Å; I117-L175 HydrophobicContact CD1-CG 4.07Å; I117-L175 HydrophobicContact CG1-CD1 3.37Å; I117-L175 HydrophobicContact CG1-CD2 4.39Å
118	D	48.2	Very low	52.6	Low	37 Å²	37	78.1 Å²	78.1	20%	0.198	43%	0.433	C	S	.	.	H	α-helix	trans	-58.8	-42.3	176.8	-93.5	-9.3	0	0	0	110.1	A114 Y121 E122 R226	A114-D118 PolarHBondContact O-N 2.73Å; D118-Y121 PolarHBondContact O-N 2.72Å; D118-E122 VanDerWaalsContact O-CG 3.32Å; D118-E122 WeakPolarHBondContact O-CG 3.41Å; D118-E122 PolarHBondContact O-N 3.29Å; D118-R226 IonicContact OD1-CZ 2.81Å; D118-R226 IonicContact OD1-NH1 2.74Å; D118-R226 IonicContact OD1-NH2 3.83Å; D118-R226 PolarHBondContact OD1-NH2 3.03Å; D118-R226 IonicContact OD2-CZ 3.7Å; D118-R226 IonicContact OD2-NH1 3.57Å; D118-R226 PolarHBondContact OD2-NH1 3.01Å; D118-R226 IonicContact OD2-NH2 3.01Å
119	R	57.9	Low	51.5	Low	151 Å²	151	75.6 Å²	75.6	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-64.1	-43.1	174.2	-82.1	-176.4	-72.9	154.7	-7.4	113.5	D115 E116 I117 Y121 E122 A123	D115-R119 WeakPolarHBondContact O-CB 3.41Å; D115-R119 WeakPolarHBondContact O-CG 3.16Å; D115-R119 PolarHBondContact O-N 3.08Å; D115-R119 VanDerWaalsContact O-N 3.15Å; D115-R119 PolarHBondContact O-NE 3Å; E116-R119 PolarHBondContact O-N 2.92Å; E116-R119 IonicContact OE1-NH2 3.87Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.23Å; R119-Y121 VanDerWaalsContact C-N 3.34Å; R119-E122 PolarHBondContact O-N 3.08Å; R119-A123 PolarHBondContact O-N 3.36Å
120	A	48.4	Very low	50.2	Low	55 Å²	55	76.2 Å²	76.2	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-65.5	-40.1	178.1	0	0	0	0	0	111.2	E116 I117 A123 V124	E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 3.41Å; I117-A120 PolarHBondContact O-N 3.41Å; A120-A123 PolarHBondContact O-N 3.29Å; A120-V124 WeakPolarHBondContact O-CG2 3.38Å; A120-V124 PolarHBondContact O-N 3.08Å
121	Y	47.5	Very low	49.1	Very low	105 Å²	105	81.6 Å²	81.6	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-41.4	175.5	-175.5	-95.7	0	0	0	111.9	I117 D118 R119 V124 T125	I117-Y121 WeakPolarHBondContact O-CB 3.48Å; I117-Y121 PolarHBondContact O-N 3.48Å; D118-Y121 PolarHBondContact O-N 2.72Å; R119-Y121 VanDerWaalsContact C-N 3.34Å; Y121-V124 PolarHBondContact O-N 3.49Å; Y121-T125 HydrophobicContact CD1-CG2 4.03Å; Y121-T125 HydrophobicContact CD2-CG2 4.2Å; Y121-T125 HydrophobicContact CE1-CG2 3.6Å; Y121-T125 HydrophobicContact CE2-CG2 3.79Å; Y121-T125 HydrophobicContact CG-CG2 4.31Å; Y121-T125 VanDerWaalsContact CZ-CG2 3.47Å; Y121-T125 WeakPolarHBondContact O-CB 3.45Å; Y121-T125 WeakPolarHBondContact O-CG2 3.24Å; Y121-T125 PolarHBondContact O-N 3.42Å; Y121-T125 PolarHBondContact O-OG1 2.99Å
122	E	54.6	Low	48	Very low	50 Å²	50	85.4 Å²	85.4	23%	0.234	51%	0.514	C	S	.	.	H	α-helix	trans	-62.8	-41.1	174.2	-75.2	173.4	-176.8	0	0	112.2	D118 R119 V124 T125 G126 R229	D118-E122 VanDerWaalsContact O-CG 3.32Å; D118-E122 WeakPolarHBondContact O-CG 3.41Å; D118-E122 PolarHBondContact O-N 3.29Å; R119-E122 PolarHBondContact O-N 3.08Å; E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 2.81Å; E122-T125 PolarHBondContact O-N 2.68Å; E122-G126 PolarHBondContact O-N 2.81Å; E122-G126 VanDerWaalsContact O-N 3.08Å; E122-R229 IonicContact OE1-CZ 2.95Å; E122-R229 IonicContact OE1-NH1 3.87Å; E122-R229 PolarHBondContact OE1-NH1 3.31Å; E122-R229 IonicContact OE1-NH2 2.94Å; E122-R229 PolarHBondContact OE1-NH2 3.22Å
123	A	65.1	Low	46.7	Very low	85 Å²	85	82.2 Å²	82.2	70%	0.702	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-36.6	175.5	0	0	0	0	0	112.5	R119 A120	R119-A123 PolarHBondContact O-N 3.36Å; A120-A123 PolarHBondContact O-N 3.29Å
124	V	53	Low	45.9	Very low	127 Å²	127	84.9 Å²	84.9	77%	0.77	54%	0.544	S	S	*	.	H	α-helix	trans	-77.7	-41.4	178.6	173.3	0	0	0	0	112.2	A120 Y121 E122 G126	A120-V124 WeakPolarHBondContact O-CG2 3.38Å; A120-V124 PolarHBondContact O-N 3.08Å; Y121-V124 PolarHBondContact O-N 3.49Å; E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 2.81Å; V124-G126 VanDerWaalsContact C-N 3.34Å
125	T	50.8	Low	44.8	Very low	58 Å²	58	93.3 Å²	93.3	36%	0.356	57%	0.574	S	S	.	*	H	α-helix	trans	-84.6	-7.7	-174.2	56.4	0	0	0	0	114.1	Y121 E122 S127	Y121-T125 HydrophobicContact CD1-CG2 4.03Å; Y121-T125 HydrophobicContact CD2-CG2 4.2Å; Y121-T125 HydrophobicContact CE1-CG2 3.6Å; Y121-T125 HydrophobicContact CE2-CG2 3.79Å; Y121-T125 HydrophobicContact CG-CG2 4.31Å; Y121-T125 VanDerWaalsContact CZ-CG2 3.47Å; Y121-T125 WeakPolarHBondContact O-CB 3.45Å; Y121-T125 WeakPolarHBondContact O-CG2 3.24Å; Y121-T125 PolarHBondContact O-N 3.42Å; Y121-T125 PolarHBondContact O-OG1 2.99Å; E122-T125 PolarHBondContact O-N 2.68Å; T125-S127 PolarHBondContact O-N 3.39Å
126	G	50	Low	43.8	Very low	55 Å²	55	101.7 Å²	101.7	57%	0.567	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.9	18.7	179.6	0	0	0	0	0	113.4	E122 V124 V128	E122-G126 PolarHBondContact O-N 2.81Å; E122-G126 VanDerWaalsContact O-N 3.08Å; V124-G126 VanDerWaalsContact C-N 3.34Å; G126-V128 PolarHBondContact O-N 3.44Å
127	S	45.8	Very low	42.8	Very low	81 Å²	81	102.8 Å²	102.8	57%	0.566	61%	0.614	S	S	*	*			trans	-70.7	97.9	177.1	-91.6	0	0	0	0	109	T125 A129	T125-S127 PolarHBondContact O-N 3.39Å; S127-A129 VanDerWaalsContact C-N 3.27Å; S127-A129 PolarHBondContact O-N 3.39Å
128	V	40.5	Very low	42.3	Very low	134 Å²	134	105.5 Å²	105.5	81%	0.812	64%	0.639	S	S	*	*			trans	-58.8	90.3	170.3	-144.6	0	0	0	0	107.8	G126 G130	G126-V128 PolarHBondContact O-N 3.44Å; V128-G130 PolarHBondContact O-N 3.37Å
129	A	43.4	Very low	41.7	Very low	70 Å²	70	112.3 Å²	112.3	58%	0.579	67%	0.669	S	S	*	*			trans	-61.4	107.7	160.2	0	0	0	0	0	105.5	S127 T131	S127-A129 VanDerWaalsContact C-N 3.27Å; S127-A129 PolarHBondContact O-N 3.39Å; A129-T131 PolarHBondContact O-N 2.94Å
130	G	37.5	Very low	40.8	Very low	66 Å²	66	110.4 Å²	110.4	68%	0.68	68%	0.679	S	S	*	*			trans	-44.2	125.9	-172.8	0	0	0	0	0	111.5	V128	V128-G130 PolarHBondContact O-N 3.37Å
131	T	33.8	Very low	40.2	Very low	127 Å²	127	113.3 Å²	113.3	78%	0.779	69%	0.692	S	S	*	*			trans	-49.6	132.9	169.7	34.6	0	0	0	0	109.7	A129 G133	A129-T131 PolarHBondContact O-N 2.94Å; T131-G133 PolarHBondContact O-N 3.26Å
132	P	31	Very low	39.7	Very low	132 Å²	132	116.3 Å²	116.3	86%	0.857	71%	0.709	S	S	*	*	S	Bend	trans	-64.4	118.9	171.7	-12.1	25.6	0	0	0	108.6
133	G	28.5	Very low	38.6	Very low	70 Å²	70	122.1 Å²	122.1	72%	0.722	74%	0.736	S	S	*	*			trans	88.6	97.6	160.5	0	0	0	0	0	117.2	T131	T131-G133 PolarHBondContact O-N 3.26Å
134	S	31.4	Very low	36.9	Very low	112 Å²	112	123.6 Å²	123.6	78%	0.783	74%	0.742	S	S	*	*			trans	-160.5	110.3	135.7	174	0	0	0	0	107.8
135	Y	26.8	Very low	35.8	Very low	196 Å²	196	122.7 Å²	122.7	77%	0.769	74%	0.741	S	S	*	*			trans	-96.4	151.2	-176.6	47.1	-88.7	0	0	0	110.6
136	R	30.1	Very low	34.6	Very low	252 Å²	252	131.1 Å²	131.1	95%	0.951	77%	0.768	S	S	*	*			trans	-144.7	114.1	140.3	-93.1	-172.2	-176.2	165.6	1.4	107.1
137	T	28.8	Very low	33.6	Very low	133 Å²	133	132.6 Å²	132.6	82%	0.816	76%	0.763	S	S	*	*			trans	-119	129.6	168.4	46.3	0	0	0	0	107.1
138	S	36.2	Very low	32.8	Very low	120 Å²	120	131.8 Å²	131.8	84%	0.839	76%	0.757	S	S	*	*			trans	-93.8	138.7	171	49.3	0	0	0	0	110.7
139	E	35	Very low	32.1	Very low	179 Å²	179	131 Å²	131	84%	0.836	76%	0.755	S	S	*	*			trans	-54.3	175.7	-170.4	-81.2	149.5	131.7	0	0	120.7
140	S	37.6	Very low	31.4	Very low	112 Å²	112	133 Å²	133	78%	0.783	75%	0.749	S	S	*	*			trans	101.7	122.3	154.4	74.7	0	0	0	0	114.3
141	T	37.6	Very low	31	Very low	116 Å²	116	131 Å²	131	71%	0.712	73%	0.725	S	S	*	*			cis	-161.5	147.7	13.9	38.8	0	0	0	0	109.8
142	E	35.6	Very low	30.6	Very low	168 Å²	168	130.6 Å²	130.6	79%	0.785	72%	0.716	S	S	*	*			trans	29	143.1	135.4	-57.8	169.2	-171.5	0	0	120.2
143	E	31.4	Very low	30.3	Very low	171 Å²	171	129.5 Å²	129.5	80%	0.799	70%	0.696	S	S	*	*			cis	-173.1	163.2	-1.6	-109.4	-175.5	174.6	0	0	107
144	S	29.6	Very low	30.5	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	69%	0.686	S	S	*	*			trans	102.6	115.5	158.8	86.4	0	0	0	0	120
145	S	30.8	Very low	30.4	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	68%	0.676	S	S	*	*	S	Bend	trans	82.5	100.8	132.5	-176.8	0	0	0	0	119.6
146	Y	25.8	Very low	30.6	Very low	235 Å²	235	130.1 Å²	130.1	92%	0.922	68%	0.678	S	S	*	*			trans	72	73.9	163.7	-109	-93.3	0	0	0	116.8
147	D	27.7	Very low	30.6	Very low	86 Å²	86	122.7 Å²	122.7	46%	0.46	66%	0.657	S	S	.	*			trans	-91.7	107.1	170.9	-91.7	-26	0	0	0	111	A151 M152 K155	D147-A151 HydrophobicContact CB-CB 4.32Å; D147-A151 WeakPolarHBondContact OD1-CB 3.32Å; D147-M152 HydrophobicContact CB-CE 4.41Å; D147-K155 IonicContact OD1-NZ 3.19Å; D147-K155 IonicContact OD2-NZ 2.68Å; D147-K155 PolarHBondContact OD2-NZ 3.02Å
148	S	29.9	Very low	30.4	Very low	64 Å²	64	127.2 Å²	127.2	45%	0.448	66%	0.659	S	S	.	*			trans	-55.1	148.9	166.8	167.1	0	0	0	0	111.1	Y150 A151	S148-Y150 PolarHBondContact O-N 2.95Å; S148-Y150 PolarHBondContact OG-N 2.91Å; S148-A151 WeakPolarHBondContact O-CB 3.41Å; S148-A151 PolarHBondContact O-N 3.29Å
149	P	26.2	Very low	30.1	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	66%	0.659	S	S	*	*	H	α-helix	trans	-50	-23.3	171.8	-26.9	34.5	0	0	0	114.1
150	Y	28.5	Very low	29.8	Very low	112 Å²	112	132.7 Å²	132.7	44%	0.439	66%	0.66	S	S	.	*	H	α-helix	trans	-72	-31.9	174.8	-144.1	-110.8	0	0	0	113.8	S148 Y153 E240	S148-Y150 PolarHBondContact O-N 2.95Å; S148-Y150 PolarHBondContact OG-N 2.91Å; Y150-Y153 PolarHBondContact O-N 3.3Å; Y150-E240 PolarHBondContact OH-OE2 2.83Å
151	A	29.4	Very low	29.3	Very low	23 Å²	23	133.4 Å²	133.4	19%	0.19	66%	0.659	C	S	.	*	H	α-helix	trans	-75.7	-26.3	178.7	0	0	0	0	0	112.9	D147 S148 Y153 T154	D147-A151 HydrophobicContact CB-CB 4.32Å; D147-A151 WeakPolarHBondContact OD1-CB 3.32Å; S148-A151 WeakPolarHBondContact O-CB 3.41Å; S148-A151 PolarHBondContact O-N 3.29Å; A151-Y153 VanDerWaalsContact C-N 3.3Å; A151-T154 PolarHBondContact O-OG1 3.04Å
152	M	24	Very low	28.8	Very low	119 Å²	119	135 Å²	135	59%	0.586	66%	0.662	S	S	*	*	H	α-helix	trans	-66.1	-33.8	172.8	-70.4	-91.7	162.4	0	0	111.8	D147	D147-M152 HydrophobicContact CB-CE 4.41Å
153	Y	26.4	Very low	28.3	Very low	109 Å²	109	131.1 Å²	131.1	43%	0.427	65%	0.653	S	S	.	*	H	α-helix	trans	-75	-34.4	-176.7	-160.4	-102.9	0	0	0	113	Y150 A151	Y150-Y153 PolarHBondContact O-N 3.3Å; A151-Y153 VanDerWaalsContact C-N 3.3Å
154	T	31.9	Very low	28.2	Very low	86 Å²	86	127.6 Å²	127.6	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-82.2	-24.3	-177.1	58.6	0	0	0	0	113.5	A151	A151-T154 PolarHBondContact O-OG1 3.04Å
155	K	28.2	Very low	28.1	Very low	132 Å²	132	132.9 Å²	132.9	57%	0.574	65%	0.647	S	S	*	*	H	α-helix	trans	-72.5	-31.6	176.3	-74.3	177.7	-177.8	172.4	0	113	D147	D147-K155 IonicContact OD1-NZ 3.19Å; D147-K155 IonicContact OD2-NZ 2.68Å; D147-K155 PolarHBondContact OD2-NZ 3.02Å
156	Q	32.7	Very low	28.2	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-14	-176.2	-76.4	-178.3	-9.6	0	0	115.1
157	N	28.7	Very low	28.4	Very low	97 Å²	97	134.4 Å²	134.4	52%	0.519	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.1	34.8	-171.4	-97.4	-20.8	0	0	0	114.7	R159	N157-R159 PolarHBondContact O-N 2.84Å
158	R	25.7	Very low	28.6	Very low	227 Å²	227	133.3 Å²	133.3	86%	0.857	64%	0.643	S	S	*	*			trans	-69.6	74.4	164.6	-70.9	-167.6	-175.3	-157.5	3.5	110.7
159	R	30.1	Very low	28.6	Very low	219 Å²	219	139.6 Å²	139.6	83%	0.826	66%	0.663	S	S	*	*			trans	-128.4	139.7	166.6	-77.8	-174.1	174.3	173.3	-1.2	110.8	N157	N157-R159 PolarHBondContact O-N 2.84Å
160	K	28.3	Very low	28.7	Very low	196 Å²	196	136.7 Å²	136.7	85%	0.852	65%	0.648	S	S	*	*			trans	-49.6	132.3	-159.6	-67.4	172	175.9	179	0	114	I162	K160-I162 PolarHBondContact O-N 3.21Å
161	V	26.3	Very low	28.5	Very low	127 Å²	127	135.7 Å²	135.7	77%	0.77	66%	0.655	S	S	*	*			trans	-50.9	111.5	164.5	179.5	0	0	0	0	108.8
162	I	26.9	Very low	28.4	Very low	150 Å²	150	140.4 Å²	140.4	77%	0.769	69%	0.687	S	S	*	*			trans	-97.6	119.2	165.9	-60.1	175.1	0	0	0	105.7	K160	K160-I162 PolarHBondContact O-N 3.21Å
163	S	25.8	Very low	28.5	Very low	86 Å²	86	139.6 Å²	139.6	60%	0.601	69%	0.689	S	S	*	*			trans	-61	143.3	174.8	54.1	0	0	0	0	110.4	R165	S163-R165 PolarHBondContact O-N 2.87Å
164	P	30	Very low	28.4	Very low	96 Å²	96	137.6 Å²	137.6	62%	0.623	70%	0.701	S	S	*	*			trans	-66.4	101.5	177.1	-11.9	26	0	0	0	109.3	R166	P164-R166 PolarHBondContact O-N 3.43Å
165	R	27.9	Very low	28	Very low	227 Å²	227	138 Å²	138	86%	0.857	70%	0.7	S	S	*	*			trans	-69.8	122.4	162.3	-90.7	-173.1	173.4	-146.1	-0.4	108.1	S163 I167	S163-R165 PolarHBondContact O-N 2.87Å; R165-I167 PolarHBondContact O-N 2.98Å
166	R	31.1	Very low	27.8	Very low	223 Å²	223	138 Å²	138	84%	0.842	71%	0.71	S	S	*	*			trans	-21.9	106.6	174.2	-66.3	176.4	-159.1	-165.6	1.6	114.3	P164 S168	P164-R166 PolarHBondContact O-N 3.43Å; R166-S168 PolarHBondContact O-N 3.21Å; R166-S168 VanDerWaalsContact O-N 3.12Å
167	I	31.7	Very low	27.5	Very low	154 Å²	154	133.3 Å²	133.3	79%	0.79	69%	0.693	S	S	*	*			trans	-83.7	68.9	162	-51.6	172.3	0	0	0	106.5	R165	R165-I167 PolarHBondContact O-N 2.98Å
168	S	30.6	Very low	27.2	Very low	63 Å²	63	134.7 Å²	134.7	44%	0.441	71%	0.705	S	S	.	*			trans	-115.4	11.5	179.6	74.8	0	0	0	0	112.5	R166	R166-S168 PolarHBondContact O-N 3.21Å; R166-S168 VanDerWaalsContact O-N 3.12Å
169	K	30.3	Very low	27.2	Very low	196 Å²	196	130.4 Å²	130.4	85%	0.852	70%	0.704	S	S	*	*			trans	-152.9	62.2	-177.9	-63.6	-172	-179.2	-178.4	0	110.8
170	A	28	Very low	27	Very low	56 Å²	56	122.8 Å²	122.8	46%	0.463	69%	0.694	S	S	.	*			trans	-78.8	135.4	163.4	0	0	0	0	0	108.3
171	P	24.8	Very low	26.8	Very low	91 Å²	91	122 Å²	122	59%	0.591	69%	0.693	S	S	*	*			trans	-65.3	138.1	174.4	-5.2	19.5	0	0	0	109	V173	P171-V173 VanDerWaalsContact C-N 3.29Å; P171-V173 PolarHBondContact O-N 3.3Å
172	S	26.2	Very low	26.9	Very low	123 Å²	123	123.1 Å²	123.1	86%	0.86	70%	0.695	S	S	*	*			trans	-62.8	87.8	169.2	30.7	0	0	0	0	109.9	G174	S172-G174 PolarHBondContact O-N 2.9Å; S172-G174 VanDerWaalsContact O-N 3.1Å
173	V	26.4	Very low	26.8	Very low	102 Å²	102	122.5 Å²	122.5	62%	0.618	69%	0.693	S	S	*	*			trans	-76.5	97.7	172.2	-174.9	0	0	0	0	107.4	P171 L175	P171-V173 VanDerWaalsContact C-N 3.29Å; P171-V173 PolarHBondContact O-N 3.3Å; V173-L175 PolarHBondContact O-N 2.74Å; V173-L175 VanDerWaalsContact O-N 3.11Å
174	G	24.1	Very low	26.8	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	71%	0.707	S	S	*	*			trans	-60.4	109.6	169.8	0	0	0	0	0	109.8	S172 V176	S172-G174 PolarHBondContact O-N 2.9Å; S172-G174 VanDerWaalsContact O-N 3.1Å; G174-V176 PolarHBondContact O-N 3.28Å
175	L	24.9	Very low	26.8	Very low	95 Å²	95	129 Å²	129	50%	0.497	71%	0.714	S	S	.	*			trans	-77.7	108.9	179.6	-166.3	75	0	0	0	110	I117 V173 V177	I117-L175 HydrophobicContact CD1-CD1 3.4Å; I117-L175 HydrophobicContact CD1-CD2 3.51Å; I117-L175 HydrophobicContact CD1-CG 4.07Å; I117-L175 HydrophobicContact CG1-CD1 3.37Å; I117-L175 HydrophobicContact CG1-CD2 4.39Å; V173-L175 PolarHBondContact O-N 2.74Å; V173-L175 VanDerWaalsContact O-N 3.11Å; L175-V177 HydrophobicContact CD1-CG2 4.49Å; L175-V177 HydrophobicContact CD2-CG2 3.47Å; L175-V177 VanDerWaalsContact CD2-CG2 3.47Å; L175-V177 HydrophobicContact CG-CG2 3.64Å
176	V	23.2	Very low	26.7	Very low	131 Å²	131	126.9 Å²	126.9	79%	0.794	71%	0.714	S	S	*	*			trans	-95	104	166.3	178.9	0	0	0	0	107.2	G174	G174-V176 PolarHBondContact O-N 3.28Å
177	V	25.9	Very low	26.3	Very low	74 Å²	74	122.2 Å²	122.2	45%	0.448	71%	0.713	S	S	.	*			trans	-97.7	115.1	172.2	-172.5	0	0	0	0	108.3	L175	L175-V177 HydrophobicContact CD1-CG2 4.49Å; L175-V177 HydrophobicContact CD2-CG2 3.47Å; L175-V177 VanDerWaalsContact CD2-CG2 3.47Å; L175-V177 HydrophobicContact CG-CG2 3.64Å
178	T	23.6	Very low	26.1	Very low	126 Å²	126	126.1 Å²	126.1	77%	0.773	72%	0.719	S	S	*	*			trans	-82	125.7	169.2	49.2	0	0	0	0	108.6	G180	T178-G180 PolarHBondContact O-N 2.82Å
179	V	26.2	Very low	25.9	Very low	136 Å²	136	127 Å²	127	82%	0.824	73%	0.73	S	S	*	*			trans	-84.6	113.8	179.9	-176.5	0	0	0	0	108.7
180	G	24.3	Very low	25.6	Very low	59 Å²	59	127.2 Å²	127.2	61%	0.608	73%	0.734	S	S	*	*			trans	-61.5	132	170.6	0	0	0	0	0	111.6	T178 N182	T178-G180 PolarHBondContact O-N 2.82Å; G180-N182 PolarHBondContact O-N 3.31Å
181	Q	23.8	Very low	25.5	Very low	180 Å²	180	127.3 Å²	127.3	84%	0.841	74%	0.74	S	S	*	*			trans	-54.5	116.4	179.4	-66.5	169.6	-36.9	0	0	110.5
182	N	29.1	Very low	25.6	Very low	150 Å²	150	128.1 Å²	128.1	80%	0.802	74%	0.744	S	S	*	*			trans	-113.1	113	152.4	-75.9	-63.4	0	0	0	105.7	G180	G180-N182 PolarHBondContact O-N 3.31Å
183	D	25	Very low	25.7	Very low	138 Å²	138	128.6 Å²	128.6	74%	0.738	74%	0.736	S	S	*	*	S	Bend	trans	-53.8	143.3	173.2	-54.2	-53.5	0	0	0	109.4
184	D	26.7	Very low	25.9	Very low	166 Å²	166	128 Å²	128	89%	0.888	73%	0.73	S	S	*	*	S	Bend	trans	103	13.5	176.1	-50.1	-30.7	0	0	0	118.8
185	I	29.7	Very low	26.1	Very low	152 Å²	152	128.5 Å²	128.5	78%	0.779	71%	0.714	S	S	*	*	S	Bend	trans	-131.6	116.1	166.8	-55.2	178.7	0	0	0	110.2
186	E	24.4	Very low	26.2	Very low	182 Å²	182	128.5 Å²	128.5	85%	0.85	72%	0.719	S	S	*	*			trans	-51.2	133.2	174.9	-82.1	-178.8	140.3	0	0	111.8	Y188	E186-Y188 PolarHBondContact O-N 2.9Å
187	P	24.1	Very low	26.5	Very low	126 Å²	126	128.4 Å²	128.4	82%	0.818	71%	0.71	S	S	*	*			trans	-79.1	108.4	-176.2	31.5	-30.5	0	0	0	109.4
188	Y	26.5	Very low	26.7	Very low	235 Å²	235	127.1 Å²	127.1	92%	0.922	70%	0.7	S	S	*	*			trans	-95.4	106	160.1	-127	-89.9	0	0	0	109.5	E186	E186-Y188 PolarHBondContact O-N 2.9Å
189	A	27.4	Very low	27.1	Very low	81 Å²	81	126.8 Å²	126.8	67%	0.669	69%	0.688	S	S	*	*			trans	43.4	112.4	157.1	0	0	0	0	0	118.6
190	E	23.8	Very low	27.3	Very low	202 Å²	202	126.1 Å²	126.1	94%	0.944	68%	0.68	S	S	*	*			trans	-35.2	139.8	146.5	-62.7	172.2	146.4	0	0	112.1
191	G	26.5	Very low	27.6	Very low	57 Å²	57	126.2 Å²	126.2	59%	0.588	67%	0.666	S	S	*	*			trans	150.7	83.6	155.8	0	0	0	0	0	115.7
192	T	26.3	Very low	27.8	Very low	109 Å²	109	121.4 Å²	121.4	67%	0.669	66%	0.657	S	S	*	*			trans	61.3	141.8	147.3	48.3	0	0	0	0	118.6	N194	T192-N194 PolarHBondContact O-N 3.43Å; T192-N194 PolarHBondContact OG1-ND2 3.26Å
193	L	28.4	Very low	27.9	Very low	132 Å²	132	121.1 Å²	121.1	69%	0.691	66%	0.655	S	S	*	*	S	Bend	trans	-59	80	163.8	-77.5	151.3	0	0	0	109.8	M198	L193-M198 HydrophobicContact CD2-CE 4.01Å; L193-M198 HydrophobicContact CD2-SD 4.21Å
194	N	29.6	Very low	28.1	Very low	91 Å²	91	117.1 Å²	117.1	49%	0.487	63%	0.633	S	S	.	*			trans	-120.6	39.2	-171.6	-99.4	-19.7	0	0	0	111.6	T192 K199	T192-N194 PolarHBondContact O-N 3.43Å; T192-N194 PolarHBondContact OG1-ND2 3.26Å; N194-K199 WeakPolarHBondContact OD1-CE 3.33Å; N194-K199 PolarHBondContact OD1-NZ 2.75Å
195	H	28.5	Very low	28.4	Very low	77 Å²	77	116 Å²	116	36%	0.356	63%	0.627	S	S	.	*			trans	-79.3	128.1	163.2	-166	-94.7	0	0	0	109.1	Q197 M198 K199	H195-Q197 PolarHBondContact CE1-OE1 3.08Å; H195-Q197 WeakPolarHBondContact ND1-CB 3.4Å; H195-Q197 PolarHBondContact ND1-N 3.23Å; H195-Q197 PolarHBondContact O-N 3.38Å; H195-Q197 VanDerWaalsContact O-N 3.11Å; H195-M198 HydrophobicContact CB-CB 4.06Å; H195-M198 HydrophobicContact CB-CE 3.75Å; H195-M198 HydrophobicContact CB-CG 4.16Å; H195-M198 PolarHBondContact O-N 3.3Å; H195-K199 PolarHBondContact O-N 2.84Å
196	P	28.3	Very low	28.6	Very low	95 Å²	95	110.3 Å²	110.3	62%	0.617	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-31.3	-178.3	-25	32.8	0	0	0	113.6
197	Q	29.6	Very low	29	Very low	129 Å²	129	103.5 Å²	103.5	60%	0.603	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-13.5	176.5	-58.2	174	-20.9	0	0	113.9	H195 L201	H195-Q197 PolarHBondContact CE1-OE1 3.08Å; H195-Q197 WeakPolarHBondContact ND1-CB 3.4Å; H195-Q197 PolarHBondContact ND1-N 3.23Å; H195-Q197 PolarHBondContact O-N 3.38Å; H195-Q197 VanDerWaalsContact O-N 3.11Å; Q197-L201 WeakPolarHBondContact O-CD1 3.34Å
198	M	29.2	Very low	29.7	Very low	46 Å²	46	101.6 Å²	101.6	23%	0.227	56%	0.563	C	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-17.5	173.1	-79.4	-158.3	-78.3	0	0	113.1	L193 H195 D200 L201 A202	L193-M198 HydrophobicContact CD2-CE 4.01Å; L193-M198 HydrophobicContact CD2-SD 4.21Å; H195-M198 HydrophobicContact CB-CB 4.06Å; H195-M198 HydrophobicContact CB-CE 3.75Å; H195-M198 HydrophobicContact CB-CG 4.16Å; H195-M198 PolarHBondContact O-N 3.3Å; M198-D200 PolarHBondContact O-N 3.37Å; M198-L201 HydrophobicContact CG-CD1 4.33Å; M198-L201 PolarHBondContact O-N 3.4Å; M198-A202 PolarHBondContact O-N 3.49Å
199	K	31	Very low	30.3	Very low	119 Å²	119	92.2 Å²	92.2	52%	0.517	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.6	170	-78.5	-176.3	175.5	176.2	0	112.3	N194 H195	N194-K199 WeakPolarHBondContact OD1-CE 3.33Å; N194-K199 PolarHBondContact OD1-NZ 2.75Å; H195-K199 PolarHBondContact O-N 2.84Å
200	D	31.4	Very low	30.9	Very low	123 Å²	123	90.6 Å²	90.6	66%	0.658	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-26.5	174.6	-62.6	-31.3	0	0	0	112.3	M198	M198-D200 PolarHBondContact O-N 3.37Å
201	L	30.1	Very low	31.4	Very low	61 Å²	61	84 Å²	84	32%	0.319	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-84	-20.7	176.5	-69.9	162.6	0	0	0	113.2	Q197 M198 N203 I204 Y282	Q197-L201 WeakPolarHBondContact O-CD1 3.34Å; M198-L201 HydrophobicContact CG-CD1 4.33Å; M198-L201 PolarHBondContact O-N 3.4Å; L201-N203 PolarHBondContact O-N 3.18Å; L201-I204 HydrophobicContact CD2-CD1 3.88Å; L201-I204 PolarHBondContact O-N 2.79Å; L201-I204 VanDerWaalsContact O-N 3.12Å; L201-Y282 HydrophobicContact CD2-CE1 4.28Å
202	A	29.4	Very low	32.2	Very low	79 Å²	79	82.8 Å²	82.8	65%	0.653	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-66.4	-13.5	176	0	0	0	0	0	113.5	M198	M198-A202 PolarHBondContact O-N 3.49Å
203	N	30.3	Very low	32.8	Very low	143 Å²	143	78.9 Å²	78.9	77%	0.765	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-99.7	7.5	175.4	-75.6	-32	0	0	0	113.5	L201	L201-N203 PolarHBondContact O-N 3.18Å
204	I	29.8	Very low	33.5	Very low	54 Å²	54	73.8 Å²	73.8	28%	0.277	41%	0.406	S	S	.	.			trans	-106.4	113.4	176.6	-49.4	-174.5	0	0	0	107.3	L201 C206 A207 Y282	L201-I204 HydrophobicContact CD2-CD1 3.88Å; L201-I204 PolarHBondContact O-N 2.79Å; L201-I204 VanDerWaalsContact O-N 3.12Å; I204-C206 HydrophobicContact CG2-CB 3.9Å; I204-C206 PolarHBondContact O-N 3.48Å; I204-A207 PolarHBondContact O-N 3.37Å; I204-A207 VanDerWaalsContact O-N 3.11Å; I204-Y282 WeakPolarHBondContact CD1-OH 3.44Å
205	D	32.1	Very low	33.8	Very low	142 Å²	142	70.4 Å²	70.4	76%	0.759	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	2.8	176.5	-73.7	-31.3	0	0	0	114.4
206	C	33.9	Very low	34.4	Very low	34 Å²	34	70.1 Å²	70.1	23%	0.23	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	3.1	179.8	-67.2	0	0	0	0	114.7	I204 P208 T209 I210	I204-C206 HydrophobicContact CG2-CB 3.9Å; I204-C206 PolarHBondContact O-N 3.48Å; C206-P208 VanDerWaalsContact C-N 3.31Å; C206-T209 WeakPolarHBondContact CA-OG1 3.43Å; C206-T209 VanDerWaalsContact CB-OG1 3.27Å; C206-T209 WeakPolarHBondContact CB-OG1 3.19Å; C206-T209 PolarHBondContact O-N 2.94Å; C206-T209 PolarHBondContact O-OG1 2.95Å; C206-I210 HydrophobicContact CB-CD1 4.31Å; C206-I210 HydrophobicContact CB-CG1 4.45Å; C206-I210 VanDerWaalsContact O-CG1 3.29Å; C206-I210 WeakPolarHBondContact O-CG1 3.23Å; C206-I210 PolarHBondContact O-N 2.94Å
207	A	33.5	Very low	34.7	Very low	39 Å²	39	71.5 Å²	71.5	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-55.7	-38.3	-180	0	0	0	0	0	113.5	I204 F211	I204-A207 PolarHBondContact O-N 3.37Å; I204-A207 VanDerWaalsContact O-N 3.11Å; A207-F211 WeakPolarHBondContact O-CD2 3.45Å; A207-F211 WeakPolarHBondContact O-CE2 3.43Å
208	P	37.5	Very low	35.1	Very low	86 Å²	86	69.1 Å²	69.1	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-76.7	-25.2	173.7	-15.7	31.5	0	0	0	114.4	C206	C206-P208 VanDerWaalsContact C-N 3.31Å
209	T	38.8	Very low	35.4	Very low	37 Å²	37	75 Å²	75	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-79.2	-33.5	-177.9	54.1	0	0	0	0	112	C206 F211 L212 D213	C206-T209 WeakPolarHBondContact CA-OG1 3.43Å; C206-T209 VanDerWaalsContact CB-OG1 3.27Å; C206-T209 WeakPolarHBondContact CB-OG1 3.19Å; C206-T209 PolarHBondContact O-N 2.94Å; C206-T209 PolarHBondContact O-OG1 2.95Å; T209-F211 PolarHBondContact O-N 3.2Å; T209-L212 PolarHBondContact O-N 3.22Å; T209-D213 PolarHBondContact O-N 2.84Å
210	I	40.4	Very low	35.6	Very low	47 Å²	47	75.8 Å²	75.8	24%	0.241	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-35.6	173.4	-67.5	164.4	0	0	0	111.3	C206 I214	C206-I210 HydrophobicContact CB-CD1 4.31Å; C206-I210 HydrophobicContact CB-CG1 4.45Å; C206-I210 VanDerWaalsContact O-CG1 3.29Å; C206-I210 WeakPolarHBondContact O-CG1 3.23Å; C206-I210 PolarHBondContact O-N 2.94Å; I210-I214 HydrophobicContact CG2-CD1 3.73Å; I210-I214 WeakPolarHBondContact O-CD1 3.5Å; I210-I214 VanDerWaalsContact O-CG1 3.25Å; I210-I214 WeakPolarHBondContact O-CG1 3.23Å; I210-I214 PolarHBondContact O-N 3.46Å
211	F	34.9	Very low	35.9	Very low	65 Å²	65	76.6 Å²	76.6	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-40.2	178.6	-79.8	-128.1	0	0	0	112.9	F92 H110 A207 T209 A215	F92-F211 HydrophobicContact CB-CD1 3.95Å; F92-F211 HydrophobicContact CB-CE1 3.18Å; F92-F211 HydrophobicContact CB-CE2 4.41Å; F92-F211 HydrophobicContact CB-CZ 3.44Å; F92-F211 VanDerWaalsContact CB-CZ 3.44Å; F92-F211 AromaticContact CD1-CD1 3.34Å; F92-F211 HydrophobicContact CD1-CD1 3.34Å; F92-F211 AromaticContact CD1-CD2 3.42Å; F92-F211 HydrophobicContact CD1-CD2 3.42Å; F92-F211 VanDerWaalsContact CD1-CD2 3.42Å; F92-F211 AromaticContact CD1-CE1 3.24Å; F92-F211 HydrophobicContact CD1-CE1 3.24Å; F92-F211 AromaticContact CD1-CE2 3.28Å; F92-F211 HydrophobicContact CD1-CE2 3.28Å; F92-F211 AromaticContact CD1-CG 3.48Å; F92-F211 HydrophobicContact CD1-CG 3.48Å; F92-F211 VanDerWaalsContact CD1-CG 3.48Å; F92-F211 AromaticContact CD1-CZ 3.19Å; F92-F211 HydrophobicContact CD1-CZ 3.19Å; F92-F211 AromaticContact CD2-CD1 3.81Å; F92-F211 HydrophobicContact CD2-CD1 3.81Å; F92-F211 AromaticContact CD2-CE1 3.96Å; F92-F211 HydrophobicContact CD2-CE1 3.96Å; F92-F211 HydrophobicContact CD2-CG 4.48Å; F92-F211 HydrophobicContact CE1-CB 4.08Å; F92-F211 AromaticContact CE1-CD1 3.68Å; F92-F211 HydrophobicContact CE1-CD1 3.68Å; F92-F211 AromaticContact CE1-CD2 3.45Å; F92-F211 HydrophobicContact CE1-CD2 3.45Å; F92-F211 VanDerWaalsContact CE1-CD2 3.45Å; F92-F211 HydrophobicContact CE1-CE1 4.06Å; F92-F211 AromaticContact CE1-CE2 3.82Å; F92-F211 HydrophobicContact CE1-CE2 3.82Å; F92-F211 AromaticContact CE1-CG 3.41Å; F92-F211 HydrophobicContact CE1-CG 3.41Å; F92-F211 VanDerWaalsContact CE1-CG 3.41Å; F92-F211 HydrophobicContact CE1-CZ 4.11Å; F92-F211 HydrophobicContact CE2-CD1 4.13Å; F92-F211 HydrophobicContact CE2-CG 4.44Å; F92-F211 AromaticContact CG-CD1 3.41Å; F92-F211 HydrophobicContact CG-CD1 3.41Å; F92-F211 VanDerWaalsContact CG-CD1 3.41Å; F92-F211 HydrophobicContact CG-CD2 4.32Å; F92-F211 AromaticContact CG-CE1 3.16Å; F92-F211 HydrophobicContact CG-CE1 3.16Å; F92-F211 HydrophobicContact CG-CE2 4.1Å; F92-F211 HydrophobicContact CG-CG 4.04Å; F92-F211 AromaticContact CG-CZ 3.53Å; F92-F211 HydrophobicContact CG-CZ 3.53Å; F92-F211 HydrophobicContact CZ-CB 4.21Å; F92-F211 HydrophobicContact CZ-CD1 4.07Å; F92-F211 HydrophobicContact CZ-CD2 4.39Å; F92-F211 AromaticContact CZ-CG 3.93Å; F92-F211 HydrophobicContact CZ-CG 3.93Å; H110-F211 HydrophobicContact CB-CD1 4.33Å; H110-F211 AromaticContact ND1-CE1 3.96Å; A207-F211 WeakPolarHBondContact O-CD2 3.45Å; A207-F211 WeakPolarHBondContact O-CE2 3.43Å; T209-F211 PolarHBondContact O-N 3.2Å; F211-A215 PolarHBondContact O-N 2.92Å
212	L	42.2	Very low	36.6	Very low	31 Å²	31	78.6 Å²	78.6	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-72	-33.1	-179.7	-73.7	166.8	0	0	0	112.2	A114 T209 R216	A114-L212 HydrophobicContact CB-CD2 4.29Å; T209-L212 PolarHBondContact O-N 3.22Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 3.2Å
213	D	40.8	Very low	37.6	Very low	27 Å²	27	75.5 Å²	75.5	14%	0.144	38%	0.384	C	S	.	.	H	α-helix	trans	-79.5	-32	-178.4	-69	-26.7	0	0	0	112.8	T209 R216 Y217	T209-D213 PolarHBondContact O-N 2.84Å; D213-R216 PolarHBondContact O-N 3.43Å; D213-R216 IonicContact OD1-NH1 3.85Å; D213-R216 PolarHBondContact OD1-NH1 3.41Å; D213-Y217 PolarHBondContact O-N 3.15Å; D213-Y217 VanDerWaalsContact O-N 3.08Å
214	I	41.6	Very low	38.6	Very low	25 Å²	25	71.7 Å²	71.7	13%	0.128	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-36	171	-69	168.3	0	0	0	111.1	F92 I210 L218 F286	F92-I214 HydrophobicContact CE1-CD1 3.95Å; F92-I214 HydrophobicContact CZ-CB 4.06Å; F92-I214 HydrophobicContact CZ-CD1 3.91Å; F92-I214 HydrophobicContact CZ-CG2 3.94Å; I210-I214 HydrophobicContact CG2-CD1 3.73Å; I210-I214 WeakPolarHBondContact O-CD1 3.5Å; I210-I214 VanDerWaalsContact O-CG1 3.25Å; I210-I214 WeakPolarHBondContact O-CG1 3.23Å; I210-I214 PolarHBondContact O-N 3.46Å; I214-L218 HydrophobicContact CG2-CD1 3.74Å; I214-L218 WeakPolarHBondContact O-CB 3.31Å; I214-L218 WeakPolarHBondContact O-CD1 3.4Å; I214-L218 VanDerWaalsContact O-CG 3.24Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 3.45Å; I214-F286 HydrophobicContact CB-CE2 4.46Å; I214-F286 HydrophobicContact CB-CZ 4.39Å; I214-F286 HydrophobicContact CD1-CD2 4.22Å; I214-F286 HydrophobicContact CD1-CE2 3.96Å; I214-F286 HydrophobicContact CG1-CD2 4.26Å; I214-F286 HydrophobicContact CG1-CE2 3.81Å; I214-F286 HydrophobicContact CG1-CZ 4.04Å; I214-F286 HydrophobicContact CG2-CE2 3.89Å; I214-F286 HydrophobicContact CG2-CZ 3.8Å
215	A	36.8	Very low	39.8	Very low	20 Å²	20	69.4 Å²	69.4	17%	0.165	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-38.3	174.3	0	0	0	0	0	112.3	I111 F211 L218 F220	I111-A215 HydrophobicContact CD1-CB 3.78Å; I111-A215 HydrophobicContact CG1-CB 3.96Å; F211-A215 PolarHBondContact O-N 2.92Å; A215-L218 PolarHBondContact O-N 3.14Å; A215-F220 WeakPolarHBondContact O-CD2 3.34Å
216	R	40.8	Very low	40.8	Very low	70 Å²	70	68.4 Å²	68.4	26%	0.264	34%	0.337	S	S	.	.	H	α-helix	trans	-69	-38.4	176.8	-72.9	170.2	-176.9	148.9	-0	113	L212 D213 L218	L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 3.2Å; D213-R216 PolarHBondContact O-N 3.43Å; D213-R216 IonicContact OD1-NH1 3.85Å; D213-R216 PolarHBondContact OD1-NH1 3.41Å; R216-L218 VanDerWaalsContact C-N 3.28Å; R216-L218 PolarHBondContact O-N 3.01Å
217	Y	35.5	Very low	41.9	Very low	125 Å²	125	69.7 Å²	69.7	49%	0.49	34%	0.341	S	S	.	.	H	α-helix	trans	-67.8	-27	177.5	-159.7	-97.6	0	0	0	113	D213 K219 F286	D213-Y217 PolarHBondContact O-N 3.15Å; D213-Y217 VanDerWaalsContact O-N 3.08Å; Y217-K219 PolarHBondContact O-N 2.91Å; Y217-F286 AromaticContact CD1-CE1 3.81Å; Y217-F286 HydrophobicContact CD1-CE1 3.81Å; Y217-F286 HydrophobicContact CE1-CE1 4.26Å; Y217-F286 HydrophobicContact CG-CE1 4.39Å
218	L	37.2	Very low	43	Very low	78 Å²	78	70.2 Å²	70.2	41%	0.408	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	30.6	-170.8	-69.9	174.1	0	0	0	115.6	I214 A215 R216	I214-L218 HydrophobicContact CG2-CD1 3.74Å; I214-L218 WeakPolarHBondContact O-CB 3.31Å; I214-L218 WeakPolarHBondContact O-CD1 3.4Å; I214-L218 VanDerWaalsContact O-CG 3.24Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 3.45Å; A215-L218 PolarHBondContact O-N 3.14Å; R216-L218 VanDerWaalsContact C-N 3.28Å; R216-L218 PolarHBondContact O-N 3.01Å
219	K	34.9	Very low	44.1	Very low	170 Å²	170	72.6 Å²	72.6	74%	0.739	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.9	49.9	166.9	-56.6	160.1	-178.2	-149.6	0	116.9	Y217	Y217-K219 PolarHBondContact O-N 2.91Å
220	F	34.7	Very low	44.7	Very low	135 Å²	135	72.9 Å²	72.9	59%	0.592	34%	0.34	S	S	*	.			trans	-114.7	128	165.6	-78.4	-86.2	0	0	0	111.6	A215 K222	A215-F220 WeakPolarHBondContact O-CD2 3.34Å; F220-K222 PolarHBondContact O-N 3.02Å
221	D	37.8	Very low	45.1	Very low	140 Å²	140	73.3 Å²	73.3	75%	0.749	35%	0.345	S	S	*	.	S	Bend	trans	-67	11.4	176	-56	-35.3	0	0	0	113.4	Y233	D221-Y233 WeakPolarHBondContact O-CA 3.36Å
222	K	46.7	Very low	45.9	Very low	104 Å²	104	70.9 Å²	70.9	45%	0.452	33%	0.334	S	S	.	.			trans	-147.4	129.7	-170.8	-61.4	-175.6	-174.7	-175.4	0	112.7	F220 T231 F232 Y233	F220-K222 PolarHBondContact O-N 3.02Å; K222-T231 HydrophobicContact CB-CG2 3.75Å; K222-T231 HydrophobicContact CD-CG2 3.95Å; K222-T231 HydrophobicContact CG-CG2 4.13Å; K222-F232 CarbonylContact C-O 3.47Å; K222-F232 WeakPolarHBondContact CA-O 3.36Å; K222-Y233 HydrophobicContact CD-CE1 4.34Å; K222-Y233 HydrophobicContact CG-CD1 4.17Å; K222-Y233 HydrophobicContact CG-CE1 4.28Å
223	C	49	Very low	46.5	Very low	14 Å²	14	77.3 Å²	77.3	10%	0.095	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.2	173.6	-50.6	0	0	0	0	109.9	T231 F232 I238	C223-T231 CarbonylContact O-C 3.48Å; C223-T231 VanDerWaalsContact O-CA 3.29Å; C223-T231 WeakPolarHBondContact O-CA 3.25Å; C223-F232 HydrophobicContact CB-CB 4.27Å; C223-F232 PolarHBondContact N-O 2.77Å; C223-F232 PolarHBondContact O-N 3.27Å; C223-I238 HydrophobicContact CB-CB 4.27Å; C223-I238 HydrophobicContact CB-CD1 3.85Å; C223-I238 HydrophobicContact CB-CG2 4.07Å
224	N	51.1	Low	47.2	Very low	63 Å²	63	77.9 Å²	77.9	34%	0.337	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.2	177.9	-67.2	-43.5	0	0	0	110.7	R226 L230 T231 I238	N224-R226 PolarHBondContact O-N 3.05Å; N224-L230 CarbonylContact C-O 3.56Å; N224-L230 VanDerWaalsContact CA-O 3.31Å; N224-L230 WeakPolarHBondContact CA-O 3.01Å; N224-T231 WeakPolarHBondContact OD1-CA 3.35Å; N224-T231 VanDerWaalsContact OD1-CB 3.27Å; N224-T231 WeakPolarHBondContact OD1-CB 3.49Å; N224-T231 VanDerWaalsContact OD1-CG2 3.31Å; N224-T231 WeakPolarHBondContact OD1-CG2 3.27Å; N224-T231 PolarHBondContact OD1-OG1 2.71Å; N224-I238 VanDerWaalsContact C-CD1 3.46Å; N224-I238 WeakPolarHBondContact O-CD1 3.29Å
225	C	55.6	Low	47.8	Very low	5 Å²	5	80.9 Å²	80.9	3%	0.034	38%	0.38	C	S	.	.			trans	-69.5	126.4	171.8	174.6	0	0	0	0	110.4	L227 R229 L230 F232 I238 H241 H246	C225-L227 VanDerWaalsContact C-N 3.33Å; C225-L227 PolarHBondContact O-N 2.77Å; C225-L227 PolarHBondContact SG-N 3.25Å; C225-R229 WeakPolarHBondContact O-CA 3.49Å; C225-R229 PolarHBondContact O-N 2.86Å; C225-L230 PolarHBondContact N-O 3.11Å; C225-F232 HydrophobicContact CB-CE2 3.89Å; C225-I238 HydrophobicContact CB-CD1 4.45Å; C225-I238 HydrophobicContact CB-CG1 4.48Å; C225-H241 VanDerWaalsContact CB-NE2 3.28Å; C225-H241 WeakPolarHBondContact CB-NE2 3.28Å; C225-H241 PolarHBondContact SG-NE2 3.5Å; C225-H246 PolarHBondContact SG-NE2 3.34Å
226	R	52.3	Low	48.8	Very low	122 Å²	122	82.9 Å²	82.9	46%	0.46	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.7	178.7	-165.8	63.2	174.3	-173.4	0.1	113.2	D118 N224	D118-R226 IonicContact OD1-CZ 2.81Å; D118-R226 IonicContact OD1-NH1 2.74Å; D118-R226 IonicContact OD1-NH2 3.83Å; D118-R226 PolarHBondContact OD1-NH2 3.03Å; D118-R226 IonicContact OD2-CZ 3.7Å; D118-R226 IonicContact OD2-NH1 3.57Å; D118-R226 PolarHBondContact OD2-NH1 3.01Å; D118-R226 IonicContact OD2-NH2 3.01Å; N224-R226 PolarHBondContact O-N 3.05Å
227	L	58	Low	49.7	Very low	60 Å²	60	81.8 Å²	81.8	31%	0.314	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-38.1	180	-64.5	179.1	0	0	0	113	C225 H246 M248	C225-L227 VanDerWaalsContact C-N 3.33Å; C225-L227 PolarHBondContact O-N 2.77Å; C225-L227 PolarHBondContact SG-N 3.25Å; L227-H246 WeakPolarHBondContact CB-CE1 3.47Å; L227-H246 WeakPolarHBondContact CB-NE2 3.47Å; L227-H246 HydrophobicContact CD1-CB 3.64Å; L227-M248 HydrophobicContact CD1-CE 3.32Å; L227-M248 HydrophobicContact CG-CE 4.31Å
228	C	56.6	Low	50.7	Low	51 Å²	51	76.3 Å²	76.3	35%	0.345	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	1.4	-178.4	76.7	0	0	0	0	114.8	L230 H241	C228-L230 PolarHBondContact O-N 3.35Å; C228-L230 WeakPolarHBondContact SG-CG 3.36Å; C228-H241 PolarHBondContact SG-CE1 3.31Å; C228-H241 PolarHBondContact SG-NE2 2.91Å
229	R	60.6	Low	51.9	Low	135 Å²	135	77.3 Å²	77.3	51%	0.509	37%	0.373	S	S	.	.			trans	61	19.3	178	-57.3	-170.6	177.2	-147.5	9.1	116	E122 C225	E122-R229 IonicContact OE1-CZ 2.95Å; E122-R229 IonicContact OE1-NH1 3.87Å; E122-R229 PolarHBondContact OE1-NH1 3.31Å; E122-R229 IonicContact OE1-NH2 2.94Å; E122-R229 PolarHBondContact OE1-NH2 3.22Å; C225-R229 WeakPolarHBondContact O-CA 3.49Å; C225-R229 PolarHBondContact O-N 2.86Å
230	L	51.3	Low	53.4	Low	43 Å²	43	73.7 Å²	73.7	23%	0.225	36%	0.359	C	S	.	.			trans	-71.5	140.7	171.9	-70.2	177	0	0	0	110.7	N224 C225 C228 F232	N224-L230 CarbonylContact C-O 3.56Å; N224-L230 VanDerWaalsContact CA-O 3.31Å; N224-L230 WeakPolarHBondContact CA-O 3.01Å; C225-L230 PolarHBondContact N-O 3.11Å; C228-L230 PolarHBondContact O-N 3.35Å; C228-L230 WeakPolarHBondContact SG-CG 3.36Å; L230-F232 HydrophobicContact CB-CE2 3.57Å; L230-F232 HydrophobicContact CB-CZ 3.65Å; L230-F232 HydrophobicContact CD1-CZ 4.26Å; L230-F232 WeakPolarHBondContact O-CD2 3.35Å; L230-F232 VanDerWaalsContact O-CE2 3.23Å; L230-F232 WeakPolarHBondContact O-CE2 3.38Å
231	T	48.6	Very low	55	Low	56 Å²	56	67.7 Å²	67.7	34%	0.344	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.3	175.9	-52.1	0	0	0	0	110.5	K222 C223 N224	K222-T231 HydrophobicContact CB-CG2 3.75Å; K222-T231 HydrophobicContact CD-CG2 3.95Å; K222-T231 HydrophobicContact CG-CG2 4.13Å; C223-T231 CarbonylContact O-C 3.48Å; C223-T231 VanDerWaalsContact O-CA 3.29Å; C223-T231 WeakPolarHBondContact O-CA 3.25Å; N224-T231 WeakPolarHBondContact OD1-CA 3.35Å; N224-T231 VanDerWaalsContact OD1-CB 3.27Å; N224-T231 WeakPolarHBondContact OD1-CB 3.49Å; N224-T231 VanDerWaalsContact OD1-CG2 3.31Å; N224-T231 WeakPolarHBondContact OD1-CG2 3.27Å; N224-T231 PolarHBondContact OD1-OG1 2.71Å
232	F	52.7	Low	56.2	Low	15 Å²	15	61 Å²	61	7%	0.066	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.3	-175.9	-65.9	-79.4	0	0	0	109.2	K222 C223 C225 L230 D237 I238 H241	K222-F232 CarbonylContact C-O 3.47Å; K222-F232 WeakPolarHBondContact CA-O 3.36Å; C223-F232 HydrophobicContact CB-CB 4.27Å; C223-F232 PolarHBondContact N-O 2.77Å; C223-F232 PolarHBondContact O-N 3.27Å; C225-F232 HydrophobicContact CB-CE2 3.89Å; L230-F232 HydrophobicContact CB-CE2 3.57Å; L230-F232 HydrophobicContact CB-CZ 3.65Å; L230-F232 HydrophobicContact CD1-CZ 4.26Å; L230-F232 WeakPolarHBondContact O-CD2 3.35Å; L230-F232 VanDerWaalsContact O-CE2 3.23Å; L230-F232 WeakPolarHBondContact O-CE2 3.38Å; F232-D237 HydrophobicContact CB-CB 4.1Å; F232-D237 HydrophobicContact CD1-CB 3.58Å; F232-D237 HydrophobicContact CG-CB 4.23Å; F232-I238 HydrophobicContact CB-CB 3.89Å; F232-I238 HydrophobicContact CD1-CB 4.47Å; F232-I238 HydrophobicContact CD2-CB 3.63Å; F232-I238 HydrophobicContact CD2-CD1 4.05Å; F232-I238 HydrophobicContact CD2-CG1 3.64Å; F232-I238 HydrophobicContact CE2-CB 4.37Å; F232-I238 HydrophobicContact CE2-CG1 4.08Å; F232-I238 HydrophobicContact CG-CB 3.7Å; F232-I238 HydrophobicContact CG-CG1 4.26Å; F232-H241 HydrophobicContact CD1-CB 4.36Å; F232-H241 HydrophobicContact CE1-CB 3.45Å; F232-H241 VanDerWaalsContact CE1-CB 3.45Å; F232-H241 AromaticContact CE1-CG 3.77Å; F232-H241 HydrophobicContact CE2-CB 4.07Å; F232-H241 AromaticContact CE2-CD2 3.49Å; F232-H241 VanDerWaalsContact CE2-CD2 3.49Å; F232-H241 WeakPolarHBondContact CE2-CD2 3.4Å; F232-H241 AromaticContact CE2-CG 3.69Å; F232-H241 HydrophobicContact CZ-CB 3.29Å; F232-H241 AromaticContact CZ-CD2 3.4Å; F232-H241 WeakPolarHBondContact CZ-CD2 3.41Å; F232-H241 AromaticContact CZ-CG 3.06Å; F232-H241 AromaticContact CZ-ND1 3.51Å; F232-H241 AromaticContact CZ-NE2 3.96Å
233	Y	54.4	Low	57.1	Low	165 Å²	165	58.5 Å²	58.5	65%	0.647	29%	0.29	S	S	*	.	S	Bend	trans	-94.6	-4.5	-176.4	-65.9	-93.4	0	0	0	112.6	D221 K222	D221-Y233 WeakPolarHBondContact O-CA 3.36Å; K222-Y233 HydrophobicContact CD-CE1 4.34Å; K222-Y233 HydrophobicContact CG-CD1 4.17Å; K222-Y233 HydrophobicContact CG-CE1 4.28Å
234	S	54.2	Low	58.1	Low	40 Å²	40	61.7 Å²	61.7	28%	0.28	31%	0.309	S	S	.	.	S	Bend	trans	-145	159.1	173.4	76.7	0	0	0	0	111.6	A236 D237 I238	S234-A236 PolarHBondContact O-N 2.67Å; S234-A236 PolarHBondContact OG-N 2.89Å; S234-D237 PolarHBondContact N-OD2 3.21Å; S234-D237 PolarHBondContact O-N 3.43Å; S234-D237 PolarHBondContact OG-N 2.98Å; S234-D237 VanDerWaalsContact OG-N 3.08Å; S234-D237 PolarHBondContact OG-OD1 3.47Å; S234-D237 PolarHBondContact OG-OD2 3.17Å; S234-I238 PolarHBondContact O-N 2.82Å
235	L	54.7	Low	59	Low	87 Å²	87	62 Å²	62	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-25.4	169.2	-75	170.7	0	0	0	112.1	I238 R239	L235-I238 HydrophobicContact CD2-CG2 4.43Å; L235-I238 VanDerWaalsContact O-CG2 3.28Å; L235-I238 WeakPolarHBondContact O-CG2 3.05Å; L235-R239 WeakPolarHBondContact O-CD 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.19Å
236	A	58.9	Low	59.6	Low	63 Å²	63	63.9 Å²	63.9	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-45.6	176.5	0	0	0	0	0	111.1	S234 I238 R239 E240	S234-A236 PolarHBondContact O-N 2.67Å; S234-A236 PolarHBondContact OG-N 2.89Å; A236-I238 PolarHBondContact O-N 3.15Å; A236-R239 WeakPolarHBondContact O-CB 3.22Å; A236-R239 PolarHBondContact O-N 3.4Å; A236-E240 PolarHBondContact O-N 3.12Å
237	D	58.3	Low	60.3	Low	47 Å²	47	59.5 Å²	59.5	25%	0.251	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-39.3	-176.6	-48.1	-40	0	0	0	111.7	F232 S234 R239 E240 H241	F232-D237 HydrophobicContact CB-CB 4.1Å; F232-D237 HydrophobicContact CD1-CB 3.58Å; F232-D237 HydrophobicContact CG-CB 4.23Å; S234-D237 PolarHBondContact N-OD2 3.21Å; S234-D237 PolarHBondContact O-N 3.43Å; S234-D237 PolarHBondContact OG-N 2.98Å; S234-D237 VanDerWaalsContact OG-N 3.08Å; S234-D237 PolarHBondContact OG-OD1 3.47Å; S234-D237 PolarHBondContact OG-OD2 3.17Å; D237-R239 VanDerWaalsContact C-N 3.32Å; D237-R239 PolarHBondContact O-N 3.45Å; D237-E240 PolarHBondContact O-N 2.93Å; D237-H241 VanDerWaalsContact O-CB 3.22Å; D237-H241 WeakPolarHBondContact O-CB 3.28Å; D237-H241 PolarHBondContact O-N 3.32Å
238	I	57.3	Low	60.5	Low	9 Å²	9	57.3 Å²	57.3	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-68	-32.6	177	-168.5	170.3	0	0	0	111.9	C223 N224 C225 F232 S234 L235 A236 A242 V267	C223-I238 HydrophobicContact CB-CB 4.27Å; C223-I238 HydrophobicContact CB-CD1 3.85Å; C223-I238 HydrophobicContact CB-CG2 4.07Å; N224-I238 VanDerWaalsContact C-CD1 3.46Å; N224-I238 WeakPolarHBondContact O-CD1 3.29Å; C225-I238 HydrophobicContact CB-CD1 4.45Å; C225-I238 HydrophobicContact CB-CG1 4.48Å; F232-I238 HydrophobicContact CB-CB 3.89Å; F232-I238 HydrophobicContact CD1-CB 4.47Å; F232-I238 HydrophobicContact CD2-CB 3.63Å; F232-I238 HydrophobicContact CD2-CD1 4.05Å; F232-I238 HydrophobicContact CD2-CG1 3.64Å; F232-I238 HydrophobicContact CE2-CB 4.37Å; F232-I238 HydrophobicContact CE2-CG1 4.08Å; F232-I238 HydrophobicContact CG-CB 3.7Å; F232-I238 HydrophobicContact CG-CG1 4.26Å; S234-I238 PolarHBondContact O-N 2.82Å; L235-I238 HydrophobicContact CD2-CG2 4.43Å; L235-I238 VanDerWaalsContact O-CG2 3.28Å; L235-I238 WeakPolarHBondContact O-CG2 3.05Å; A236-I238 PolarHBondContact O-N 3.15Å; I238-A242 WeakPolarHBondContact O-CB 2.96Å; I238-A242 PolarHBondContact O-N 2.6Å; I238-V267 HydrophobicContact CG1-CG2 4.41Å; I238-V267 HydrophobicContact CG2-CG2 4.31Å
239	R	62.7	Low	60.5	Low	100 Å²	100	57.1 Å²	57.1	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-48.8	173.6	-76.6	169.7	175	177.7	-2.1	111.1	L235 A236 D237 H241 A242 V243 W262 E264 V267	L235-R239 WeakPolarHBondContact O-CD 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.19Å; A236-R239 WeakPolarHBondContact O-CB 3.22Å; A236-R239 PolarHBondContact O-N 3.4Å; D237-R239 VanDerWaalsContact C-N 3.32Å; D237-R239 PolarHBondContact O-N 3.45Å; R239-H241 VanDerWaalsContact C-N 3.28Å; R239-H241 PolarHBondContact O-N 2.76Å; R239-A242 WeakPolarHBondContact O-CB 3.47Å; R239-A242 PolarHBondContact O-N 3.13Å; R239-A242 VanDerWaalsContact O-N 3.12Å; R239-V243 WeakPolarHBondContact O-CG2 3.34Å; R239-V243 PolarHBondContact O-N 3.5Å; R239-W262 HydrophobicContact CG-CH2 4.41Å; R239-E264 VanDerWaalsContact CZ-O 3.25Å; R239-E264 PolarHBondContact NE-O 3.33Å; R239-E264 PolarHBondContact NH2-O 3.47Å; R239-V267 HydrophobicContact CG-CG2 4.5Å
240	E	66.1	Low	60.2	Low	94 Å²	94	55.8 Å²	55.8	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-44.4	176.4	-173.1	-175.1	-179.2	0	0	110.6	Y150 A236 D237 A242 V243 T244	Y150-E240 PolarHBondContact OH-OE2 2.83Å; A236-E240 PolarHBondContact O-N 3.12Å; D237-E240 PolarHBondContact O-N 2.93Å; E240-A242 VanDerWaalsContact C-N 3.33Å; E240-A242 PolarHBondContact O-N 3.29Å; E240-V243 PolarHBondContact O-N 2.85Å; E240-T244 HydrophobicContact CG-CG2 4.02Å; E240-T244 WeakPolarHBondContact O-CB 3.21Å; E240-T244 VanDerWaalsContact O-CG2 3.27Å; E240-T244 WeakPolarHBondContact O-CG2 3.3Å; E240-T244 PolarHBondContact O-N 3.4Å; E240-T244 PolarHBondContact O-OG1 3.44Å
241	H	68.2	Low	60	Low	9 Å²	9	59.1 Å²	59.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-43.9	174.1	164.1	70.7	0	0	0	112.8	C225 C228 F232 D237 R239 V243 T244 V245 H246	C225-H241 VanDerWaalsContact CB-NE2 3.28Å; C225-H241 WeakPolarHBondContact CB-NE2 3.28Å; C225-H241 PolarHBondContact SG-NE2 3.5Å; C228-H241 PolarHBondContact SG-CE1 3.31Å; C228-H241 PolarHBondContact SG-NE2 2.91Å; F232-H241 HydrophobicContact CD1-CB 4.36Å; F232-H241 HydrophobicContact CE1-CB 3.45Å; F232-H241 VanDerWaalsContact CE1-CB 3.45Å; F232-H241 AromaticContact CE1-CG 3.77Å; F232-H241 HydrophobicContact CE2-CB 4.07Å; F232-H241 AromaticContact CE2-CD2 3.49Å; F232-H241 VanDerWaalsContact CE2-CD2 3.49Å; F232-H241 WeakPolarHBondContact CE2-CD2 3.4Å; F232-H241 AromaticContact CE2-CG 3.69Å; F232-H241 HydrophobicContact CZ-CB 3.29Å; F232-H241 AromaticContact CZ-CD2 3.4Å; F232-H241 WeakPolarHBondContact CZ-CD2 3.41Å; F232-H241 AromaticContact CZ-CG 3.06Å; F232-H241 AromaticContact CZ-ND1 3.51Å; F232-H241 AromaticContact CZ-NE2 3.96Å; D237-H241 VanDerWaalsContact O-CB 3.22Å; D237-H241 WeakPolarHBondContact O-CB 3.28Å; D237-H241 PolarHBondContact O-N 3.32Å; R239-H241 VanDerWaalsContact C-N 3.28Å; R239-H241 PolarHBondContact O-N 2.76Å; H241-V243 VanDerWaalsContact C-N 3.34Å; H241-V243 PolarHBondContact O-N 3.41Å; H241-T244 WeakPolarHBondContact CA-OG1 3.46Å; H241-T244 PolarHBondContact O-N 2.9Å; H241-T244 PolarHBondContact O-OG1 3.5Å; H241-V245 VanDerWaalsContact ND1-CG2 3.29Å; H241-V245 WeakPolarHBondContact ND1-CG2 3.29Å; H241-V245 WeakPolarHBondContact O-CA 3.47Å; H241-V245 WeakPolarHBondContact O-CB 3.28Å; H241-V245 PolarHBondContact O-N 3.43Å; H241-H246 AromaticContact CE1-CD2 3.94Å; H241-H246 AromaticContact CE1-NE2 3.5Å; H241-H246 PolarHBondContact CE1-NE2 3.12Å; H241-H246 AromaticContact NE2-CD2 3.47Å; H241-H246 PolarHBondContact NE2-CD2 2.9Å; H241-H246 AromaticContact NE2-NE2 3.13Å; H241-H246 PolarHBondContact NE2-NE2 3.03Å; H241-H246 VanDerWaalsContact NE2-NE2 3.13Å
242	A	62.8	Low	59.9	Low	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-42.7	178.1	0	0	0	0	0	112.4	I238 R239 E240 H246 G247 M248 W262 V267	I238-A242 WeakPolarHBondContact O-CB 2.96Å; I238-A242 PolarHBondContact O-N 2.6Å; R239-A242 WeakPolarHBondContact O-CB 3.47Å; R239-A242 PolarHBondContact O-N 3.13Å; R239-A242 VanDerWaalsContact O-N 3.12Å; E240-A242 VanDerWaalsContact C-N 3.33Å; E240-A242 PolarHBondContact O-N 3.29Å; A242-H246 CarbonylContact O-C 3.41Å; A242-H246 WeakPolarHBondContact O-CA 3.27Å; A242-H246 VanDerWaalsContact O-CB 3.26Å; A242-H246 WeakPolarHBondContact O-CB 3.16Å; A242-H246 PolarHBondContact O-N 3.05Å; A242-H246 VanDerWaalsContact O-N 3.11Å; A242-G247 PolarHBondContact O-N 3.07Å; A242-M248 HydrophobicContact CB-CB 4.27Å; A242-M248 HydrophobicContact CB-CE 4.36Å; A242-M248 HydrophobicContact CB-CG 4.11Å; A242-M248 HydrophobicContact CB-SD 3.7Å; A242-M248 WeakPolarHBondContact O-CG 3.37Å; A242-M248 PolarHBondContact O-N 3.1Å; A242-M248 VanDerWaalsContact O-N 3.12Å; A242-W262 HydrophobicContact CB-CZ3 4.2Å; A242-V267 HydrophobicContact CB-CG1 3.28Å
243	V	66.3	Low	59.9	Low	51 Å²	51	68.4 Å²	68.4	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-68.9	-46.5	177.7	177.4	0	0	0	0	111.3	R239 E240 H241 G247 M248 W262	R239-V243 WeakPolarHBondContact O-CG2 3.34Å; R239-V243 PolarHBondContact O-N 3.5Å; E240-V243 PolarHBondContact O-N 2.85Å; H241-V243 VanDerWaalsContact C-N 3.34Å; H241-V243 PolarHBondContact O-N 3.41Å; V243-G247 VanDerWaalsContact O-CA 3.27Å; V243-G247 WeakPolarHBondContact O-CA 3.2Å; V243-G247 PolarHBondContact O-N 2.84Å; V243-M248 WeakPolarHBondContact CA-O 3.38Å; V243-M248 WeakPolarHBondContact CG2-O 3.38Å; V243-W262 HydrophobicContact CG2-CH2 4.41Å; V243-W262 HydrophobicContact CG2-CZ2 4.18Å
244	T	69.7	Low	59.6	Low	81 Å²	81	68 Å²	68	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-79.1	-41.1	-171.5	55.3	0	0	0	0	113.2	E240 H241	E240-T244 HydrophobicContact CG-CG2 4.02Å; E240-T244 WeakPolarHBondContact O-CB 3.21Å; E240-T244 VanDerWaalsContact O-CG2 3.27Å; E240-T244 WeakPolarHBondContact O-CG2 3.3Å; E240-T244 PolarHBondContact O-N 3.4Å; E240-T244 PolarHBondContact O-OG1 3.44Å; H241-T244 WeakPolarHBondContact CA-OG1 3.46Å; H241-T244 PolarHBondContact O-N 2.9Å; H241-T244 PolarHBondContact O-OG1 3.5Å
245	V	69.2	Low	59.3	Low	69 Å²	69	73.2 Å²	73.2	42%	0.418	41%	0.407	S	S	.	.	H	α-helix	trans	-94.1	-36.5	-175.5	-177.2	0	0	0	0	112	H241	H241-V245 VanDerWaalsContact ND1-CG2 3.29Å; H241-V245 WeakPolarHBondContact ND1-CG2 3.29Å; H241-V245 WeakPolarHBondContact O-CA 3.47Å; H241-V245 WeakPolarHBondContact O-CB 3.28Å; H241-V245 PolarHBondContact O-N 3.43Å
246	H	69.8	Low	58.7	Low	44 Å²	44	79.6 Å²	79.6	20%	0.204	43%	0.431	C	S	.	.	H	α-helix	trans	-106	-2.3	-176	-59.1	-59.6	0	0	0	114.1	C225 L227 H241 A242 M248	C225-H246 PolarHBondContact SG-NE2 3.34Å; L227-H246 WeakPolarHBondContact CB-CE1 3.47Å; L227-H246 WeakPolarHBondContact CB-NE2 3.47Å; L227-H246 HydrophobicContact CD1-CB 3.64Å; H241-H246 AromaticContact CE1-CD2 3.94Å; H241-H246 AromaticContact CE1-NE2 3.5Å; H241-H246 PolarHBondContact CE1-NE2 3.12Å; H241-H246 AromaticContact NE2-CD2 3.47Å; H241-H246 PolarHBondContact NE2-CD2 2.9Å; H241-H246 AromaticContact NE2-NE2 3.13Å; H241-H246 PolarHBondContact NE2-NE2 3.03Å; H241-H246 VanDerWaalsContact NE2-NE2 3.13Å; A242-H246 CarbonylContact O-C 3.41Å; A242-H246 WeakPolarHBondContact O-CA 3.27Å; A242-H246 VanDerWaalsContact O-CB 3.26Å; A242-H246 WeakPolarHBondContact O-CB 3.16Å; A242-H246 PolarHBondContact O-N 3.05Å; A242-H246 VanDerWaalsContact O-N 3.11Å; H246-M248 HydrophobicContact CB-CE 4.21Å; H246-M248 HydrophobicContact CB-CG 4.14Å; H246-M248 PolarHBondContact O-N 2.73Å
247	G	65.5	Low	58	Low	31 Å²	31	81.4 Å²	81.4	32%	0.32	44%	0.436	S	S	.	.			trans	67.8	19.6	178.5	0	0	0	0	0	113.4	A242 V243 G249	A242-G247 PolarHBondContact O-N 3.07Å; V243-G247 VanDerWaalsContact O-CA 3.27Å; V243-G247 WeakPolarHBondContact O-CA 3.2Å; V243-G247 PolarHBondContact O-N 2.84Å; G247-G249 PolarHBondContact O-N 2.84Å
248	M	61.9	Low	57.6	Low	14 Å²	14	87.1 Å²	87.1	7%	0.069	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	129.7	178.5	-62.6	-161.5	-171.5	0	0	110	L227 A242 V243 H246 K250 W262 V267	L227-M248 HydrophobicContact CD1-CE 3.32Å; L227-M248 HydrophobicContact CG-CE 4.31Å; A242-M248 HydrophobicContact CB-CB 4.27Å; A242-M248 HydrophobicContact CB-CE 4.36Å; A242-M248 HydrophobicContact CB-CG 4.11Å; A242-M248 HydrophobicContact CB-SD 3.7Å; A242-M248 WeakPolarHBondContact O-CG 3.37Å; A242-M248 PolarHBondContact O-N 3.1Å; A242-M248 VanDerWaalsContact O-N 3.12Å; V243-M248 WeakPolarHBondContact CA-O 3.38Å; V243-M248 WeakPolarHBondContact CG2-O 3.38Å; H246-M248 HydrophobicContact CB-CE 4.21Å; H246-M248 HydrophobicContact CB-CG 4.14Å; H246-M248 PolarHBondContact O-N 2.73Å; M248-K250 PolarHBondContact O-N 3.11Å; M248-W262 HydrophobicContact CB-CD2 3.8Å; M248-W262 HydrophobicContact CB-CE3 4.3Å; M248-W262 HydrophobicContact CB-CG 4.01Å; M248-W262 HydrophobicContact CB-CZ2 4.25Å; M248-W262 HydrophobicContact CG-CD2 4.35Å; M248-W262 HydrophobicContact CG-CG 4.39Å; M248-W262 HydrophobicContact SD-CB 3.96Å; M248-W262 HydrophobicContact SD-CD2 3.71Å; M248-W262 HydrophobicContact SD-CE3 3.5Å; M248-W262 VanDerWaalsContact SD-CE3 3.5Å; M248-W262 HydrophobicContact SD-CG 3.91Å; M248-W262 HydrophobicContact SD-CZ3 4.25Å; M248-V267 HydrophobicContact CE-CG1 4.11Å; M248-V267 HydrophobicContact SD-CG1 3.79Å
249	G	57.6	Low	57.3	Low	47 Å²	47	89.8 Å²	89.8	49%	0.485	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	8.6	175.3	0	0	0	0	0	116.8	G247 T251	G247-G249 PolarHBondContact O-N 2.84Å; G249-T251 PolarHBondContact O-N 2.84Å
250	K	54.3	Low	57.2	Low	107 Å²	107	87.7 Å²	87.7	47%	0.465	49%	0.487	S	S	.	.			trans	-79.9	107.4	171.2	-68.4	-173.3	-179	179.3	0	110.4	M248 N252 V259	M248-K250 PolarHBondContact O-N 3.11Å; K250-N252 PolarHBondContact O-N 3.1Å; K250-V259 WeakPolarHBondContact O-CG2 3.21Å
251	T	46.2	Very low	57.3	Low	112 Å²	112	86.9 Å²	86.9	69%	0.687	48%	0.482	S	S	*	.			trans	-79.9	103.2	163.3	52.7	0	0	0	0	107.6	G249	G249-T251 PolarHBondContact O-N 2.84Å
252	N	46.6	Very low	57.2	Low	116 Å²	116	88.1 Å²	88.1	62%	0.62	49%	0.486	S	S	*	.			trans	-83.4	114.4	164.5	-73	-11.9	0	0	0	106.6	K250 D254	K250-N252 PolarHBondContact O-N 3.1Å; N252-D254 PolarHBondContact O-N 2.93Å
253	D	52.7	Low	57.4	Low	150 Å²	150	88.2 Å²	88.2	80%	0.802	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.3	-179.8	-69.9	-45.8	0	0	0	113.4
254	D	49.2	Very low	57.2	Low	156 Å²	156	91.9 Å²	91.9	83%	0.834	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-1.2	-166.8	-70.2	-49.9	0	0	0	117	N252	N252-D254 PolarHBondContact O-N 2.93Å
255	E	47	Very low	56.8	Low	150 Å²	150	91.7 Å²	91.7	70%	0.701	49%	0.493	S	S	*	.			trans	-148	130.7	177.6	-103.8	178.8	166.6	0	0	112.9	V257	E255-V257 HydrophobicContact CB-CG2 4.46Å; E255-V257 PolarHBondContact O-N 3.12Å
256	K	42.3	Very low	56.3	Low	221 Å²	221	89.3 Å²	89.3	96%	0.961	48%	0.479	S	S	*	.			trans	-68.8	51.2	-173.4	-142.6	179.4	-166.6	179.9	0	113.2
257	V	45.1	Very low	55.9	Low	102 Å²	102	88 Å²	88	62%	0.618	47%	0.474	S	S	*	.			trans	-95	120.1	176.9	-176.5	0	0	0	0	107.8	E255 V259	E255-V257 HydrophobicContact CB-CG2 4.46Å; E255-V257 PolarHBondContact O-N 3.12Å; V257-V259 VanDerWaalsContact C-N 3.35Å; V257-V259 WeakPolarHBondContact O-CG2 3.22Å; V257-V259 PolarHBondContact O-N 3.21Å
258	D	48.3	Very low	55.4	Low	166 Å²	166	87.8 Å²	87.8	89%	0.888	47%	0.465	S	S	*	.			trans	-56.7	95.5	174.5	-76.9	-39.8	0	0	0	109.8	A260	D258-A260 PolarHBondContact O-N 3.23Å
259	V	51.2	Low	54.9	Low	66 Å²	66	90.3 Å²	90.3	40%	0.4	48%	0.482	S	S	.	.			trans	-69.7	114.9	175.8	-173.3	0	0	0	0	106.8	K250 V257 K261	K250-V259 WeakPolarHBondContact O-CG2 3.21Å; V257-V259 VanDerWaalsContact C-N 3.35Å; V257-V259 WeakPolarHBondContact O-CG2 3.22Å; V257-V259 PolarHBondContact O-N 3.21Å; V259-K261 PolarHBondContact O-N 3.45Å
260	A	60.5	Low	55	Low	56 Å²	56	89.1 Å²	89.1	46%	0.463	46%	0.464	S	S	.	.			trans	-54.8	124.5	175.9	0	0	0	0	0	109.4	D258 P269	D258-A260 PolarHBondContact O-N 3.23Å; A260-P269 HydrophobicContact CB-CB 4.46Å
261	K	69.2	Low	55	Low	76 Å²	76	91.3 Å²	91.3	33%	0.33	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	153.7	173.2	-72.4	156.8	177.4	160.7	0	108	V259 P269 F270 Q273 L276	V259-K261 PolarHBondContact O-N 3.45Å; K261-P269 CarbonylContact O-C 3.56Å; K261-P269 VanDerWaalsContact O-CA 3.27Å; K261-P269 WeakPolarHBondContact O-CA 3.47Å; K261-F270 HydrophobicContact CB-CB 4.31Å; K261-F270 PolarHBondContact N-O 2.87Å; K261-F270 VanDerWaalsContact N-O 3.15Å; K261-F270 PolarHBondContact O-N 3.41Å; K261-Q273 VanDerWaalsContact CD-CA 3.49Å; K261-Q273 HydrophobicContact CD-CB 3.85Å; K261-L276 HydrophobicContact CB-CD2 4Å
262	W	66.2	Low	56.2	Low	36 Å²	36	89 Å²	89	14%	0.136	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.4	-176.1	70	-64.9	0	0	0	112.1	R239 A242 V243 M248 V267 L268 L276	R239-W262 HydrophobicContact CG-CH2 4.41Å; A242-W262 HydrophobicContact CB-CZ3 4.2Å; V243-W262 HydrophobicContact CG2-CH2 4.41Å; V243-W262 HydrophobicContact CG2-CZ2 4.18Å; M248-W262 HydrophobicContact CB-CD2 3.8Å; M248-W262 HydrophobicContact CB-CE3 4.3Å; M248-W262 HydrophobicContact CB-CG 4.01Å; M248-W262 HydrophobicContact CB-CZ2 4.25Å; M248-W262 HydrophobicContact CG-CD2 4.35Å; M248-W262 HydrophobicContact CG-CG 4.39Å; M248-W262 HydrophobicContact SD-CB 3.96Å; M248-W262 HydrophobicContact SD-CD2 3.71Å; M248-W262 HydrophobicContact SD-CE3 3.5Å; M248-W262 VanDerWaalsContact SD-CE3 3.5Å; M248-W262 HydrophobicContact SD-CG 3.91Å; M248-W262 HydrophobicContact SD-CZ3 4.25Å; W262-V267 HydrophobicContact CE3-CB 4.29Å; W262-V267 HydrophobicContact CE3-CG1 3.91Å; W262-V267 HydrophobicContact CZ3-CB 4.17Å; W262-V267 HydrophobicContact CZ3-CG1 3.78Å; W262-V267 HydrophobicContact CZ3-CG2 4.04Å; W262-L268 CarbonylContact C-O 3.4Å; W262-L268 WeakPolarHBondContact CA-O 3.4Å; W262-L268 WeakPolarHBondContact CB-O 3.39Å; W262-L276 WeakPolarHBondContact O-CD1 3.27Å; W262-L276 WeakPolarHBondContact O-CD2 3.28Å
263	C	66.1	Low	57.7	Low	1 Å²	1	87.2 Å²	87.2	1%	0.007	45%	0.452	C	S	.	.			trans	-86.6	121.4	177.9	177.5	0	0	0	0	111.1	K265 C266 V267 L268 F270 L276 H279 H283	C263-K265 PolarHBondContact O-N 3.27Å; C263-K265 PolarHBondContact SG-N 3.08Å; C263-K265 VanDerWaalsContact SG-N 3.37Å; C263-C266 WeakPolarHBondContact CB-SG 3.33Å; C263-C266 PolarHBondContact O-N 2.92Å; C263-V267 WeakPolarHBondContact O-CA 3.4Å; C263-V267 PolarHBondContact O-N 3.43Å; C263-L268 PolarHBondContact N-O 2.7Å; C263-F270 HydrophobicContact CB-CE2 3.88Å; C263-L276 HydrophobicContact CB-CD1 3.83Å; C263-H279 VanDerWaalsContact CB-CD2 3.43Å; C263-H279 WeakPolarHBondContact CB-CD2 3.27Å; C263-H279 WeakPolarHBondContact CB-NE2 3.4Å; C263-H279 PolarHBondContact SG-CD2 3.24Å; C263-H279 PolarHBondContact SG-NE2 3.11Å; C263-H283 PolarHBondContact SG-NE2 3.48Å
264	E	62.7	Low	59	Low	129 Å²	129	86.5 Å²	86.5	60%	0.603	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.5	178.1	-62.4	-176.7	171.8	0	0	113.6	R239	R239-E264 VanDerWaalsContact CZ-O 3.25Å; R239-E264 PolarHBondContact NE-O 3.33Å; R239-E264 PolarHBondContact NH2-O 3.47Å
265	K	61.3	Low	59.9	Low	77 Å²	77	82.7 Å²	82.7	34%	0.335	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-37.7	-179.7	-67.8	178.7	-174.9	-85.4	0	112.7	C263 H283 E287	C263-K265 PolarHBondContact O-N 3.27Å; C263-K265 PolarHBondContact SG-N 3.08Å; C263-K265 VanDerWaalsContact SG-N 3.37Å; K265-H283 HydrophobicContact CD-CB 3.42Å; K265-H283 VanDerWaalsContact CD-CB 3.42Å; K265-H283 VanDerWaalsContact CD-CG 3.43Å; K265-E287 IonicContact NZ-OE1 2.6Å; K265-E287 PolarHBondContact NZ-OE1 2.66Å; K265-E287 IonicContact NZ-OE2 2.9Å; K265-E287 PolarHBondContact NZ-OE2 3.31Å
266	C	59.7	Low	61.1	Low	18 Å²	18	76.1 Å²	76.1	12%	0.122	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-5.1	-175.2	68.6	0	0	0	0	115	C263 L268 H279	C263-C266 WeakPolarHBondContact CB-SG 3.33Å; C263-C266 PolarHBondContact O-N 2.92Å; C266-L268 VanDerWaalsContact C-N 3.29Å; C266-L268 HydrophobicContact CB-CG 4.46Å; C266-L268 PolarHBondContact O-N 3.14Å; C266-L268 VanDerWaalsContact SG-CG 3.51Å; C266-H279 VanDerWaalsContact SG-CE1 3.57Å; C266-H279 PolarHBondContact SG-NE2 2.83Å
267	V	59.6	Low	62.7	Low	17 Å²	17	71 Å²	71	10%	0.103	37%	0.368	C	S	.	.			trans	66.2	26.2	177.9	-162.3	0	0	0	0	113.6	I238 R239 A242 M248 W262 C263	I238-V267 HydrophobicContact CG1-CG2 4.41Å; I238-V267 HydrophobicContact CG2-CG2 4.31Å; R239-V267 HydrophobicContact CG-CG2 4.5Å; A242-V267 HydrophobicContact CB-CG1 3.28Å; M248-V267 HydrophobicContact CE-CG1 4.11Å; M248-V267 HydrophobicContact SD-CG1 3.79Å; W262-V267 HydrophobicContact CE3-CB 4.29Å; W262-V267 HydrophobicContact CE3-CG1 3.91Å; W262-V267 HydrophobicContact CZ3-CB 4.17Å; W262-V267 HydrophobicContact CZ3-CG1 3.78Å; W262-V267 HydrophobicContact CZ3-CG2 4.04Å; C263-V267 WeakPolarHBondContact O-CA 3.4Å; C263-V267 PolarHBondContact O-N 3.43Å
268	L	56.3	Low	63.9	Low	27 Å²	27	70.6 Å²	70.6	14%	0.141	36%	0.358	C	S	.	.			trans	-85.5	134.9	176.4	-70.7	176.7	0	0	0	111.6	W262 C263 C266 F270	W262-L268 CarbonylContact C-O 3.4Å; W262-L268 WeakPolarHBondContact CA-O 3.4Å; W262-L268 WeakPolarHBondContact CB-O 3.39Å; C263-L268 PolarHBondContact N-O 2.7Å; C266-L268 VanDerWaalsContact C-N 3.29Å; C266-L268 HydrophobicContact CB-CG 4.46Å; C266-L268 PolarHBondContact O-N 3.14Å; C266-L268 VanDerWaalsContact SG-CG 3.51Å; L268-F270 HydrophobicContact CB-CE2 3.84Å; L268-F270 HydrophobicContact CB-CZ 4.12Å; L268-F270 VanDerWaalsContact O-CD2 3.28Å; L268-F270 WeakPolarHBondContact O-CD2 3.26Å; L268-F270 WeakPolarHBondContact O-CE2 3.33Å
269	P	51.2	Low	64.8	Low	66 Å²	66	63.4 Å²	63.4	43%	0.429	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	151.2	173	33.4	-33.9	0	0	0	112.2	A260 K261	A260-P269 HydrophobicContact CB-CB 4.46Å; K261-P269 CarbonylContact O-C 3.56Å; K261-P269 VanDerWaalsContact O-CA 3.27Å; K261-P269 WeakPolarHBondContact O-CA 3.47Å
270	F	58.8	Low	65.5	Low	22 Å²	22	64.5 Å²	64.5	10%	0.096	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.5	-179.5	-66.8	-88.5	0	0	0	110.1	K261 C263 L268 D272 E275 L276 H279	K261-F270 HydrophobicContact CB-CB 4.31Å; K261-F270 PolarHBondContact N-O 2.87Å; K261-F270 VanDerWaalsContact N-O 3.15Å; K261-F270 PolarHBondContact O-N 3.41Å; C263-F270 HydrophobicContact CB-CE2 3.88Å; L268-F270 HydrophobicContact CB-CE2 3.84Å; L268-F270 HydrophobicContact CB-CZ 4.12Å; L268-F270 VanDerWaalsContact O-CD2 3.28Å; L268-F270 WeakPolarHBondContact O-CD2 3.26Å; L268-F270 WeakPolarHBondContact O-CE2 3.33Å; F270-D272 VanDerWaalsContact C-N 3.34Å; F270-E275 HydrophobicContact CD1-CB 3.87Å; F270-L276 HydrophobicContact CB-CB 4.06Å; F270-L276 HydrophobicContact CD2-CB 4.03Å; F270-L276 HydrophobicContact CD2-CD1 3.64Å; F270-L276 HydrophobicContact CD2-CG 4.4Å; F270-L276 HydrophobicContact CE2-CD1 3.83Å; F270-L276 HydrophobicContact CG-CB 3.93Å; F270-L276 HydrophobicContact CG-CD1 4.4Å; F270-H279 HydrophobicContact CD1-CB 4.49Å; F270-H279 HydrophobicContact CE1-CB 3.5Å; F270-H279 VanDerWaalsContact CE1-CB 3.5Å; F270-H279 AromaticContact CE1-CG 3.87Å; F270-H279 HydrophobicContact CE2-CB 4.17Å; F270-H279 AromaticContact CE2-CD2 3.83Å; F270-H279 AromaticContact CE2-CG 3.94Å; F270-H279 HydrophobicContact CZ-CB 3.33Å; F270-H279 AromaticContact CZ-CD2 3.55Å; F270-H279 AromaticContact CZ-CG 3.18Å; F270-H279 AromaticContact CZ-ND1 3.64Å
271	D	55.7	Low	66	Low	153 Å²	153	64.6 Å²	64.6	82%	0.818	32%	0.318	S	S	*	.	S	Bend	trans	-68.5	-33.8	179.7	-69.4	-23.4	0	0	0	111.8
272	D	71.4	Confident	65.6	Low	64 Å²	64	64.9 Å²	64.9	34%	0.342	32%	0.318	S	S	.	.	S	Bend	trans	-140.7	175.2	179.8	75.1	39.6	0	0	0	113.4	F270 K274 E275 L276	F270-D272 VanDerWaalsContact C-N 3.34Å; D272-K274 WeakPolarHBondContact OD1-CA 3.35Å; D272-K274 WeakPolarHBondContact OD1-CB 3.09Å; D272-K274 PolarHBondContact OD1-N 3.45Å; D272-E275 PolarHBondContact OD1-N 2.85Å; D272-L276 PolarHBondContact O-N 3.27Å
273	Q	78.2	Confident	65.3	Low	79 Å²	79	64.7 Å²	64.7	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-77.3	-29.7	-175	-172.2	64.3	20.3	0	0	111.3	K261 L276 E277	K261-Q273 VanDerWaalsContact CD-CA 3.49Å; K261-Q273 HydrophobicContact CD-CB 3.85Å; Q273-L276 PolarHBondContact O-N 3.41Å; Q273-E277 HydrophobicContact CG-CG 4.32Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.47Å; Q273-E277 WeakPolarHBondContact O-CB 3.2Å; Q273-E277 VanDerWaalsContact O-CG 3.28Å; Q273-E277 WeakPolarHBondContact O-CG 3.2Å; Q273-E277 PolarHBondContact O-N 3.12Å
274	K	78.8	Confident	65.2	Low	134 Å²	134	67.1 Å²	67.1	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-69.8	-40.5	-176.9	-173.2	-178.2	-179.2	-178.3	0	110.2	D272 E277 K278	D272-K274 WeakPolarHBondContact OD1-CA 3.35Å; D272-K274 WeakPolarHBondContact OD1-CB 3.09Å; D272-K274 PolarHBondContact OD1-N 3.45Å; K274-E277 PolarHBondContact O-N 3.11Å; K274-K278 WeakPolarHBondContact O-CB 3.47Å; K274-K278 VanDerWaalsContact O-CG 3.28Å; K274-K278 WeakPolarHBondContact O-CG 3.45Å; K274-K278 PolarHBondContact O-N 3.2Å
275	E	68.8	Low	64.9	Low	76 Å²	76	66.4 Å²	66.4	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-69.6	-36.9	174.9	-63.2	-51.2	126.8	0	0	111.8	F270 D272 K278 H279	F270-E275 HydrophobicContact CD1-CB 3.87Å; D272-E275 PolarHBondContact OD1-N 2.85Å; E275-K278 IonicContact OE1-NZ 2.69Å; E275-K278 PolarHBondContact OE1-NZ 3.46Å; E275-K278 IonicContact OE2-NZ 3.63Å; E275-H279 WeakPolarHBondContact O-CB 3.33Å; E275-H279 PolarHBondContact O-N 3.2Å
276	L	71.1	Confident	64.4	Low	12 Å²	12	64.5 Å²	64.5	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-46.1	171.2	174.1	59.2	0	0	0	112	K261 W262 C263 F270 D272 Q273 H279 M280	K261-L276 HydrophobicContact CB-CD2 4Å; W262-L276 WeakPolarHBondContact O-CD1 3.27Å; W262-L276 WeakPolarHBondContact O-CD2 3.28Å; C263-L276 HydrophobicContact CB-CD1 3.83Å; F270-L276 HydrophobicContact CB-CB 4.06Å; F270-L276 HydrophobicContact CD2-CB 4.03Å; F270-L276 HydrophobicContact CD2-CD1 3.64Å; F270-L276 HydrophobicContact CD2-CG 4.4Å; F270-L276 HydrophobicContact CE2-CD1 3.83Å; F270-L276 HydrophobicContact CG-CB 3.93Å; F270-L276 HydrophobicContact CG-CD1 4.4Å; D272-L276 PolarHBondContact O-N 3.27Å; Q273-L276 PolarHBondContact O-N 3.41Å; L276-H279 WeakPolarHBondContact O-CB 3.4Å; L276-H279 PolarHBondContact O-N 3.05Å; L276-H279 VanDerWaalsContact O-N 3.16Å; L276-M280 HydrophobicContact CD1-CG 4.05Å; L276-M280 HydrophobicContact CD1-SD 4.18Å; L276-M280 HydrophobicContact CG-CG 4.44Å; L276-M280 HydrophobicContact CG-SD 4.14Å; L276-M280 WeakPolarHBondContact O-CG 3.5Å; L276-M280 PolarHBondContact O-N 3.47Å
277	E	75.9	Confident	64.2	Low	113 Å²	113	66 Å²	66	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-43.7	179.3	-76.9	169.4	-175.6	0	0	112.3	Q273 K274 H279 M280 S281	Q273-E277 HydrophobicContact CG-CG 4.32Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.47Å; Q273-E277 WeakPolarHBondContact O-CB 3.2Å; Q273-E277 VanDerWaalsContact O-CG 3.28Å; Q273-E277 WeakPolarHBondContact O-CG 3.2Å; Q273-E277 PolarHBondContact O-N 3.12Å; K274-E277 PolarHBondContact O-N 3.11Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 3.12Å; E277-M280 PolarHBondContact O-N 3.37Å; E277-S281 PolarHBondContact O-N 3.46Å
278	K	71.3	Confident	63.9	Low	94 Å²	94	71.6 Å²	71.6	41%	0.409	35%	0.352	S	S	.	.	H	α-helix	trans	-55.9	-46.5	170.6	-75.8	173	-179.5	175.6	0	110.7	K274 E275 M280 S281 Y282	K274-K278 WeakPolarHBondContact O-CB 3.47Å; K274-K278 VanDerWaalsContact O-CG 3.28Å; K274-K278 WeakPolarHBondContact O-CG 3.45Å; K274-K278 PolarHBondContact O-N 3.2Å; E275-K278 IonicContact OE1-NZ 2.69Å; E275-K278 PolarHBondContact OE1-NZ 3.46Å; E275-K278 IonicContact OE2-NZ 3.63Å; K278-M280 PolarHBondContact O-N 3.23Å; K278-S281 WeakPolarHBondContact O-CB 3.43Å; K278-S281 PolarHBondContact O-N 3.27Å; K278-S281 PolarHBondContact O-OG 2.9Å; K278-Y282 VanDerWaalsContact O-CD2 3.32Å; K278-Y282 WeakPolarHBondContact O-CD2 3.5Å; K278-Y282 WeakPolarHBondContact O-CE2 3.32Å
279	H	66.7	Low	63.5	Low	16 Å²	16	73 Å²	73	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-44.1	178.4	172.3	80.5	0	0	0	112.8	C263 C266 F270 E275 L276 E277 S281 Y282 H283	C263-H279 VanDerWaalsContact CB-CD2 3.43Å; C263-H279 WeakPolarHBondContact CB-CD2 3.27Å; C263-H279 WeakPolarHBondContact CB-NE2 3.4Å; C263-H279 PolarHBondContact SG-CD2 3.24Å; C263-H279 PolarHBondContact SG-NE2 3.11Å; C266-H279 VanDerWaalsContact SG-CE1 3.57Å; C266-H279 PolarHBondContact SG-NE2 2.83Å; F270-H279 HydrophobicContact CD1-CB 4.49Å; F270-H279 HydrophobicContact CE1-CB 3.5Å; F270-H279 VanDerWaalsContact CE1-CB 3.5Å; F270-H279 AromaticContact CE1-CG 3.87Å; F270-H279 HydrophobicContact CE2-CB 4.17Å; F270-H279 AromaticContact CE2-CD2 3.83Å; F270-H279 AromaticContact CE2-CG 3.94Å; F270-H279 HydrophobicContact CZ-CB 3.33Å; F270-H279 AromaticContact CZ-CD2 3.55Å; F270-H279 AromaticContact CZ-CG 3.18Å; F270-H279 AromaticContact CZ-ND1 3.64Å; E275-H279 WeakPolarHBondContact O-CB 3.33Å; E275-H279 PolarHBondContact O-N 3.2Å; L276-H279 WeakPolarHBondContact O-CB 3.4Å; L276-H279 PolarHBondContact O-N 3.05Å; L276-H279 VanDerWaalsContact O-N 3.16Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 3.12Å; H279-S281 PolarHBondContact O-N 2.9Å; H279-Y282 WeakPolarHBondContact O-CB 3.46Å; H279-Y282 PolarHBondContact O-N 3.24Å; H279-Y282 VanDerWaalsContact O-N 3.17Å; H279-H283 AromaticContact CD2-CD2 3.96Å; H279-H283 AromaticContact CE1-NE2 3.69Å; H279-H283 AromaticContact NE2-CD2 3.46Å; H279-H283 PolarHBondContact NE2-CD2 3.44Å; H279-H283 AromaticContact NE2-NE2 3.1Å; H279-H283 PolarHBondContact NE2-NE2 2.95Å; H279-H283 VanDerWaalsContact NE2-NE2 3.1Å
280	M	66	Low	63.1	Low	89 Å²	89	72.6 Å²	72.6	44%	0.438	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-29.6	177.7	-71.3	-179.8	69.5	0	0	112.7	L276 E277 K278 Y282 H283 S284	L276-M280 HydrophobicContact CD1-CG 4.05Å; L276-M280 HydrophobicContact CD1-SD 4.18Å; L276-M280 HydrophobicContact CG-CG 4.44Å; L276-M280 HydrophobicContact CG-SD 4.14Å; L276-M280 WeakPolarHBondContact O-CG 3.5Å; L276-M280 PolarHBondContact O-N 3.47Å; E277-M280 PolarHBondContact O-N 3.37Å; K278-M280 PolarHBondContact O-N 3.23Å; M280-Y282 VanDerWaalsContact C-N 3.28Å; M280-Y282 PolarHBondContact O-N 3.23Å; M280-H283 WeakPolarHBondContact O-CB 3.2Å; M280-H283 PolarHBondContact O-N 3.17Å; M280-S284 PolarHBondContact O-N 2.7Å; M280-S284 VanDerWaalsContact O-N 3.14Å
281	S	70.4	Confident	62.4	Low	57 Å²	57	79.2 Å²	79.2	40%	0.399	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-36.5	175.4	81.2	0	0	0	0	112.1	E277 K278 H279 H283 S284 E285	E277-S281 PolarHBondContact O-N 3.46Å; K278-S281 WeakPolarHBondContact O-CB 3.43Å; K278-S281 PolarHBondContact O-N 3.27Å; K278-S281 PolarHBondContact O-OG 2.9Å; H279-S281 PolarHBondContact O-N 2.9Å; S281-H283 PolarHBondContact O-N 3.32Å; S281-S284 PolarHBondContact O-N 3.14Å; S281-S284 VanDerWaalsContact O-N 3.14Å; S281-S284 PolarHBondContact O-OG 3.14Å; S281-E285 PolarHBondContact O-N 3.45Å
282	Y	61.4	Low	61.7	Low	83 Å²	83	75.7 Å²	75.7	33%	0.325	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-38.4	175.6	-62.8	-67.9	0	0	0	112.6	L201 I204 K278 H279 M280 S284 E285 F286	L201-Y282 HydrophobicContact CD2-CE1 4.28Å; I204-Y282 WeakPolarHBondContact CD1-OH 3.44Å; K278-Y282 VanDerWaalsContact O-CD2 3.32Å; K278-Y282 WeakPolarHBondContact O-CD2 3.5Å; K278-Y282 WeakPolarHBondContact O-CE2 3.32Å; H279-Y282 WeakPolarHBondContact O-CB 3.46Å; H279-Y282 PolarHBondContact O-N 3.24Å; H279-Y282 VanDerWaalsContact O-N 3.17Å; M280-Y282 VanDerWaalsContact C-N 3.28Å; M280-Y282 PolarHBondContact O-N 3.23Å; Y282-S284 VanDerWaalsContact C-N 3.33Å; Y282-S284 PolarHBondContact O-N 2.84Å; Y282-E285 PolarHBondContact O-N 3.48Å; Y282-F286 WeakPolarHBondContact O-CB 3.43Å; Y282-F286 PolarHBondContact O-N 3.2Å
283	H	59.8	Low	59.9	Low	32 Å²	32	75.3 Å²	75.3	15%	0.148	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-41.6	173.2	-76.9	-63.8	0	0	0	111.7	C263 K265 H279 M280 S281 F286 E287	C263-H283 PolarHBondContact SG-NE2 3.48Å; K265-H283 HydrophobicContact CD-CB 3.42Å; K265-H283 VanDerWaalsContact CD-CB 3.42Å; K265-H283 VanDerWaalsContact CD-CG 3.43Å; H279-H283 AromaticContact CD2-CD2 3.96Å; H279-H283 AromaticContact CE1-NE2 3.69Å; H279-H283 AromaticContact NE2-CD2 3.46Å; H279-H283 PolarHBondContact NE2-CD2 3.44Å; H279-H283 AromaticContact NE2-NE2 3.1Å; H279-H283 PolarHBondContact NE2-NE2 2.95Å; H279-H283 VanDerWaalsContact NE2-NE2 3.1Å; M280-H283 WeakPolarHBondContact O-CB 3.2Å; M280-H283 PolarHBondContact O-N 3.17Å; S281-H283 PolarHBondContact O-N 3.32Å; H283-F286 PolarHBondContact O-N 3.04Å; H283-E287 WeakPolarHBondContact O-CB 3.33Å; H283-E287 WeakPolarHBondContact O-CG 3.28Å; H283-E287 PolarHBondContact O-N 3.12Å
284	S	63.5	Low	57.8	Low	51 Å²	51	77.6 Å²	77.6	36%	0.357	39%	0.392	S	S	.	.	H	α-helix	trans	-66.8	-37.8	178.9	78.2	0	0	0	0	112.7	M280 S281 Y282 K288	M280-S284 PolarHBondContact O-N 2.7Å; M280-S284 VanDerWaalsContact O-N 3.14Å; S281-S284 PolarHBondContact O-N 3.14Å; S281-S284 VanDerWaalsContact O-N 3.14Å; S281-S284 PolarHBondContact O-OG 3.14Å; Y282-S284 VanDerWaalsContact C-N 3.33Å; Y282-S284 PolarHBondContact O-N 2.84Å; S284-K288 VanDerWaalsContact O-CG 3.3Å; S284-K288 WeakPolarHBondContact O-CG 3.4Å; S284-K288 PolarHBondContact O-N 3.38Å; S284-K288 VanDerWaalsContact O-N 3.12Å
285	E	56.9	Low	55.8	Low	114 Å²	114	75.7 Å²	75.7	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-68.9	-42.1	176.3	-169.9	173.3	-167.4	0	0	110.6	S281 Y282 K288 I289	S281-E285 PolarHBondContact O-N 3.45Å; Y282-E285 PolarHBondContact O-N 3.48Å; E285-K288 WeakPolarHBondContact O-CB 3.48Å; E285-K288 PolarHBondContact O-N 3.41Å; E285-I289 HydrophobicContact CG-CD1 4.45Å; E285-I289 VanDerWaalsContact O-CG1 3.28Å; E285-I289 WeakPolarHBondContact O-CG1 3.27Å; E285-I289 PolarHBondContact O-N 2.69Å
286	F	51.9	Low	53.9	Low	37 Å²	37	82.5 Å²	82.5	16%	0.162	41%	0.407	C	S	.	.	H	α-helix	trans	-65	-42.4	175.9	-172.8	-96.9	0	0	0	112.8	I214 Y217 Y282 H283 K288 I289 V290	I214-F286 HydrophobicContact CB-CE2 4.46Å; I214-F286 HydrophobicContact CB-CZ 4.39Å; I214-F286 HydrophobicContact CD1-CD2 4.22Å; I214-F286 HydrophobicContact CD1-CE2 3.96Å; I214-F286 HydrophobicContact CG1-CD2 4.26Å; I214-F286 HydrophobicContact CG1-CE2 3.81Å; I214-F286 HydrophobicContact CG1-CZ 4.04Å; I214-F286 HydrophobicContact CG2-CE2 3.89Å; I214-F286 HydrophobicContact CG2-CZ 3.8Å; Y217-F286 AromaticContact CD1-CE1 3.81Å; Y217-F286 HydrophobicContact CD1-CE1 3.81Å; Y217-F286 HydrophobicContact CE1-CE1 4.26Å; Y217-F286 HydrophobicContact CG-CE1 4.39Å; Y282-F286 WeakPolarHBondContact O-CB 3.43Å; Y282-F286 PolarHBondContact O-N 3.2Å; H283-F286 PolarHBondContact O-N 3.04Å; F286-K288 VanDerWaalsContact C-N 3.32Å; F286-K288 PolarHBondContact O-N 3.22Å; F286-I289 WeakPolarHBondContact O-CB 3.4Å; F286-I289 PolarHBondContact O-N 3.38Å; F286-I289 VanDerWaalsContact O-N 3.15Å; F286-V290 HydrophobicContact CD1-CG2 3.94Å; F286-V290 HydrophobicContact CE1-CG2 3.54Å; F286-V290 HydrophobicContact CZ-CG2 3.85Å; F286-V290 WeakPolarHBondContact O-CG2 3.44Å; F286-V290 PolarHBondContact O-N 3.36Å
287	E	54.5	Low	52.1	Low	50 Å²	50	88.1 Å²	88.1	23%	0.234	44%	0.436	C	S	.	.	H	α-helix	trans	-60.5	-42	175.3	-79.3	175	169.8	0	0	111.2	K265 H283 I289 V290 E291	K265-E287 IonicContact NZ-OE1 2.6Å; K265-E287 PolarHBondContact NZ-OE1 2.66Å; K265-E287 IonicContact NZ-OE2 2.9Å; K265-E287 PolarHBondContact NZ-OE2 3.31Å; H283-E287 WeakPolarHBondContact O-CB 3.33Å; H283-E287 WeakPolarHBondContact O-CG 3.28Å; H283-E287 PolarHBondContact O-N 3.12Å; E287-I289 VanDerWaalsContact C-N 3.35Å; E287-I289 PolarHBondContact O-N 3.41Å; E287-V290 PolarHBondContact O-N 3.42Å; E287-E291 WeakPolarHBondContact O-CB 3.39Å; E287-E291 WeakPolarHBondContact O-CG 3.28Å; E287-E291 PolarHBondContact O-N 3.46Å
288	K	54.4	Low	49.8	Very low	135 Å²	135	94.1 Å²	94.1	59%	0.587	45%	0.454	S	S	*	.	H	α-helix	trans	-58.6	-45.2	172.5	-72.3	169.8	-175.8	175.2	0	111.9	S284 E285 F286 V290 E291 T292	S284-K288 VanDerWaalsContact O-CG 3.3Å; S284-K288 WeakPolarHBondContact O-CG 3.4Å; S284-K288 PolarHBondContact O-N 3.38Å; S284-K288 VanDerWaalsContact O-N 3.12Å; E285-K288 WeakPolarHBondContact O-CB 3.48Å; E285-K288 PolarHBondContact O-N 3.41Å; F286-K288 VanDerWaalsContact C-N 3.32Å; F286-K288 PolarHBondContact O-N 3.22Å; K288-V290 VanDerWaalsContact C-N 3.31Å; K288-V290 PolarHBondContact O-N 2.86Å; K288-E291 PolarHBondContact O-N 3.16Å; K288-T292 WeakPolarHBondContact O-CG2 3.43Å; K288-T292 PolarHBondContact O-N 2.98Å; K288-T292 PolarHBondContact O-OG1 3.34Å
289	I	46.9	Very low	47.6	Very low	55 Å²	55	97.9 Å²	97.9	28%	0.282	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-39.2	178.1	-65.1	165.6	0	0	0	111.4	E285 F286 E287 G293 F295	E285-I289 HydrophobicContact CG-CD1 4.45Å; E285-I289 VanDerWaalsContact O-CG1 3.28Å; E285-I289 WeakPolarHBondContact O-CG1 3.27Å; E285-I289 PolarHBondContact O-N 2.69Å; F286-I289 WeakPolarHBondContact O-CB 3.4Å; F286-I289 PolarHBondContact O-N 3.38Å; F286-I289 VanDerWaalsContact O-N 3.15Å; E287-I289 VanDerWaalsContact C-N 3.35Å; E287-I289 PolarHBondContact O-N 3.41Å; I289-G293 PolarHBondContact O-N 3.41Å; I289-F295 HydrophobicContact CG2-CD1 4.4Å; I289-F295 HydrophobicContact CG2-CD2 4.04Å; I289-F295 HydrophobicContact CG2-CE1 4.12Å; I289-F295 HydrophobicContact CG2-CE2 3.73Å; I289-F295 HydrophobicContact CG2-CG 4.37Å; I289-F295 HydrophobicContact CG2-CZ 3.77Å
290	V	43.2	Very low	45.9	Very low	59 Å²	59	102.8 Å²	102.8	36%	0.358	51%	0.506	S	S	.	.	H	α-helix	trans	-72	-43.1	179.7	173.2	0	0	0	0	111.8	F286 E287 K288	F286-V290 HydrophobicContact CD1-CG2 3.94Å; F286-V290 HydrophobicContact CE1-CG2 3.54Å; F286-V290 HydrophobicContact CZ-CG2 3.85Å; F286-V290 WeakPolarHBondContact O-CG2 3.44Å; F286-V290 PolarHBondContact O-N 3.36Å; E287-V290 PolarHBondContact O-N 3.42Å; K288-V290 VanDerWaalsContact C-N 3.31Å; K288-V290 PolarHBondContact O-N 2.86Å
291	E	43.6	Very low	44.1	Very low	161 Å²	161	103.8 Å²	103.8	75%	0.752	51%	0.513	S	S	*	.	H	α-helix	trans	-72.3	-43.9	-176.7	-75.7	-179.7	173.3	0	0	113.1	E287 K288 G293	E287-E291 WeakPolarHBondContact O-CB 3.39Å; E287-E291 WeakPolarHBondContact O-CG 3.28Å; E287-E291 PolarHBondContact O-N 3.46Å; K288-E291 PolarHBondContact O-N 3.16Å; E291-G293 PolarHBondContact O-N 2.94Å
292	T	40.4	Very low	42.3	Very low	78 Å²	78	106.8 Å²	106.8	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-74.4	-18.2	179.7	63.3	0	0	0	0	111.8	K288 E294	K288-T292 WeakPolarHBondContact O-CG2 3.43Å; K288-T292 PolarHBondContact O-N 2.98Å; K288-T292 PolarHBondContact O-OG1 3.34Å; T292-E294 PolarHBondContact O-N 3.2Å; T292-E294 VanDerWaalsContact OG1-CB 3.27Å; T292-E294 WeakPolarHBondContact OG1-CB 3.34Å; T292-E294 PolarHBondContact OG1-N 2.8Å; T292-E294 VanDerWaalsContact OG1-N 3.14Å
293	G	35	Very low	41	Very low	56 Å²	56	110.6 Å²	110.6	58%	0.577	55%	0.554	S	S	*	*			trans	59.8	8.8	-168.2	0	0	0	0	0	112.7	I289 E291 F295	I289-G293 PolarHBondContact O-N 3.41Å; E291-G293 PolarHBondContact O-N 2.94Å; G293-F295 PolarHBondContact O-N 3.15Å
294	E	32.6	Very low	39.7	Very low	128 Å²	128	113 Å²	113	60%	0.598	58%	0.579	S	S	*	*			trans	-79.1	72.4	176.9	-65.1	177.7	147.8	0	0	108.4	T292 R296	T292-E294 PolarHBondContact O-N 3.2Å; T292-E294 VanDerWaalsContact OG1-CB 3.27Å; T292-E294 WeakPolarHBondContact OG1-CB 3.34Å; T292-E294 PolarHBondContact OG1-N 2.8Å; T292-E294 VanDerWaalsContact OG1-N 3.14Å; E294-R296 PolarHBondContact O-N 3.19Å
295	F	38	Very low	38.1	Very low	93 Å²	93	119 Å²	119	41%	0.408	60%	0.601	S	S	.	*			trans	-71.1	65.8	147	-81.9	-92.3	0	0	0	107.9	I289 G293	I289-F295 HydrophobicContact CG2-CD1 4.4Å; I289-F295 HydrophobicContact CG2-CD2 4.04Å; I289-F295 HydrophobicContact CG2-CE1 4.12Å; I289-F295 HydrophobicContact CG2-CE2 3.73Å; I289-F295 HydrophobicContact CG2-CG 4.37Å; I289-F295 HydrophobicContact CG2-CZ 3.77Å; G293-F295 PolarHBondContact O-N 3.15Å
296	R	28.3	Very low	36.8	Very low	220 Å²	220	126.1 Å²	126.1	83%	0.83	63%	0.634	S	S	*	*			trans	-127.7	103.7	165.2	-81.1	-172.8	174.3	177.2	-3	106.1	E294 R298	E294-R296 PolarHBondContact O-N 3.19Å; R296-R298 PolarHBondContact O-N 2.69Å
297	L	33.1	Very low	36.1	Very low	129 Å²	129	130.6 Å²	130.6	68%	0.675	66%	0.657	S	S	*	*			trans	-54.1	131.7	162.3	-71.7	167.8	0	0	0	107.1	E299	L297-E299 PolarHBondContact O-N 2.88Å
298	R	27.8	Very low	35.1	Very low	239 Å²	239	134.8 Å²	134.8	90%	0.902	68%	0.68	S	S	*	*			trans	-42.3	135.1	163	-84.8	-178.4	-175.1	-168.3	0.8	108.1	R296	R296-R298 PolarHBondContact O-N 2.69Å
299	E	25.4	Very low	34.1	Very low	174 Å²	174	134.8 Å²	134.8	81%	0.813	69%	0.685	S	S	*	*			trans	-41.7	133.8	173.1	-66.5	178.6	164.4	0	0	109.9	L297 N301	L297-E299 PolarHBondContact O-N 2.88Å; E299-N301 PolarHBondContact O-N 2.8Å; E299-N301 VanDerWaalsContact O-N 3.08Å
300	P	31.1	Very low	33.3	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	71%	0.709	S	S	*	*			trans	-55.8	122.4	168.7	-12	24.7	0	0	0	106.6	P302	P300-P302 WeakPolarHBondContact O-CD 3.42Å
301	N	27.8	Very low	32.7	Very low	110 Å²	110	144.5 Å²	144.5	59%	0.588	73%	0.731	S	S	*	*			trans	-50.8	117.7	174	-179.6	-0.5	0	0	0	108.2	E299 M303 A304	E299-N301 PolarHBondContact O-N 2.8Å; E299-N301 VanDerWaalsContact O-N 3.08Å; N301-M303 PolarHBondContact O-N 3.05Å; N301-M303 PolarHBondContact OD1-N 2.76Å; N301-M303 VanDerWaalsContact OD1-N 3.14Å; N301-A304 PolarHBondContact O-N 3.42Å
302	P	33.8	Very low	32	Very low	120 Å²	120	143.4 Å²	143.4	78%	0.779	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-7.4	-178.5	-21.5	32	0	0	0	113.9	P300	P300-P302 WeakPolarHBondContact O-CD 3.42Å
303	M	33.1	Very low	31.4	Very low	163 Å²	163	148.1 Å²	148.1	80%	0.803	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	13	-173.4	-55.8	-158.5	80.6	0	0	115.5	N301	N301-M303 PolarHBondContact O-N 3.05Å; N301-M303 PolarHBondContact OD1-N 2.76Å; N301-M303 VanDerWaalsContact OD1-N 3.14Å
304	A	33	Very low	31.1	Very low	81 Å²	81	155.2 Å²	155.2	67%	0.669	76%	0.76	S	S	*	*			trans	-92.8	11.6	-177.7	0	0	0	0	0	115.5	N301	N301-A304 PolarHBondContact O-N 3.42Å
305	H	29.3	Very low	31	Very low	178 Å²	178	157.4 Å²	157.4	82%	0.824	77%	0.774	S	S	*	*			trans	-107.2	91.9	170.7	-77.9	-71.6	0	0	0	110.5
306	H	30.9	Very low	30.3	Very low	263 Å²	263	163.3 Å²	163.3	100%	1.218	81%	0.807	S	S	*	*			trans	-152.1	0	154.4	-98.1	-60.1	0	0	0	109.7

Retrieved 306 of 306 residues in 281 ms (Link to these results)

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