A0A077Z0M7_TRITR Loading...

[histone H3]-dimethyl-L-lysine(36) demethylase

AlphaFold DB , UniProt , Accession A0A077Z0M7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 367 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	29.8	Very low	44.9	Very low	245 Å²	245	131.3 Å²	131.3	100%	1.207	68%	0.677	S	S	*	*				0	138.5	0	-81.9	175.6	171.1	0	0	108.7
2	N	26.1	Very low	48	Very low	151 Å²	151	126.8 Å²	126.8	81%	0.807	66%	0.66	S	S	*	*			trans	-39.5	123.9	-165.8	-75.7	-28.9	0	0	0	116.3	S4	N2-S4 PolarHBondContact O-N 3.12Å
3	R	29	Very low	51	Low	239 Å²	239	117.8 Å²	117.8	90%	0.902	62%	0.615	S	S	*	*			trans	-69.6	66.5	146.6	-73.4	-174.6	176.8	-157.4	-3.8	108.2
4	S	33	Very low	53.8	Low	86 Å²	86	114.6 Å²	114.6	60%	0.601	60%	0.603	S	S	*	*			trans	-70.7	138.3	160.9	65.4	0	0	0	0	106.8	N2 R6	N2-S4 PolarHBondContact O-N 3.12Å; S4-R6 PolarHBondContact O-N 2.68Å
5	A	37.7	Very low	56.1	Low	102 Å²	102	113.7 Å²	113.7	84%	0.843	60%	0.595	S	S	*	*			trans	-45.8	113.3	176.2	0	0	0	0	0	109.8	S7	A5-S7 PolarHBondContact O-N 2.69Å
6	R	51	Low	57.9	Low	98 Å²	98	108.8 Å²	108.8	37%	0.37	57%	0.573	S	S	.	*			trans	-53.1	131	173.2	-96.5	179.3	172.1	160.7	-2.3	107.1	S4 Q10 D29	S4-R6 PolarHBondContact O-N 2.68Å; R6-Q10 HydrophobicContact CB-CB 4.31Å; R6-Q10 HydrophobicContact CG-CB 4.16Å; R6-D29 PolarHBondContact NH1-O 3.43Å
7	S	54.7	Low	58.5	Low	55 Å²	55	116.6 Å²	116.6	39%	0.385	59%	0.593	S	S	.	*			trans	-63.4	153	169.5	62.8	0	0	0	0	109.3	A5 E9 Q10 S11	A5-S7 PolarHBondContact O-N 2.69Å; S7-E9 PolarHBondContact O-N 3.08Å; S7-E9 VanDerWaalsContact O-N 3.11Å; S7-Q10 WeakPolarHBondContact O-CA 3.38Å; S7-Q10 WeakPolarHBondContact O-CB 3.45Å; S7-Q10 PolarHBondContact O-N 3.34Å; S7-Q10 VanDerWaalsContact OG-CG 3.26Å; S7-Q10 WeakPolarHBondContact OG-CG 3.39Å; S7-S11 PolarHBondContact O-N 3.36Å
8	E	55.2	Low	58.5	Low	175 Å²	175	114.3 Å²	114.3	82%	0.818	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-53.5	-35.5	-178.8	-73.5	-178.1	156.5	0	0	112.2	Q10 S11	E8-Q10 PolarHBondContact O-N 3.38Å; E8-S11 PolarHBondContact O-N 3.14Å; E8-S11 PolarHBondContact O-OG 3.19Å
9	E	51.5	Low	58.3	Low	162 Å²	162	111.4 Å²	111.4	76%	0.757	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-65.6	-33	175	-72.5	-179.5	161	0	0	113.6	S7 S11	S7-E9 PolarHBondContact O-N 3.08Å; S7-E9 VanDerWaalsContact O-N 3.11Å; E9-S11 PolarHBondContact O-N 3.04Å
10	Q	60.6	Low	58	Low	70 Å²	70	116.1 Å²	116.1	33%	0.327	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-78.9	-5	176.5	-65.1	177.2	-8.3	0	0	113.2	R6 S7 E8 W40	R6-Q10 HydrophobicContact CB-CB 4.31Å; R6-Q10 HydrophobicContact CG-CB 4.16Å; S7-Q10 WeakPolarHBondContact O-CA 3.38Å; S7-Q10 WeakPolarHBondContact O-CB 3.45Å; S7-Q10 PolarHBondContact O-N 3.34Å; S7-Q10 VanDerWaalsContact OG-CG 3.26Å; S7-Q10 WeakPolarHBondContact OG-CG 3.39Å; E8-Q10 PolarHBondContact O-N 3.38Å; Q10-W40 HydrophobicContact CB-CD2 4.33Å; Q10-W40 HydrophobicContact CB-CZ2 4.1Å; Q10-W40 HydrophobicContact CG-CD2 4.46Å; Q10-W40 HydrophobicContact CG-CH2 4.38Å; Q10-W40 HydrophobicContact CG-CZ2 3.58Å
11	S	65.8	Low	57.8	Low	61 Å²	61	119.3 Å²	119.3	43%	0.427	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-100	-3.2	-177.4	72.5	0	0	0	0	114.1	S7 E8 E9	S7-S11 PolarHBondContact O-N 3.36Å; E8-S11 PolarHBondContact O-N 3.14Å; E8-S11 PolarHBondContact O-OG 3.19Å; E9-S11 PolarHBondContact O-N 3.04Å
12	T	81.3	Confident	59	Low	77 Å²	77	111.6 Å²	111.6	47%	0.472	57%	0.573	S	S	.	*			trans	-114.4	121.5	-176.4	55.7	0	0	0	0	112.3
13	C	87.3	Confident	60.3	Low	11 Å²	11	107 Å²	107	7%	0.074	56%	0.557	C	S	.	*			trans	-75.2	133.8	174.5	179	0	0	0	0	110.9	M15 C16 M31 H42	C13-M15 PolarHBondContact SG-N 2.92Å; C13-C16 WeakPolarHBondContact CB-SG 3.41Å; C13-C16 PolarHBondContact SG-SG 3.42Å; C13-M31 HydrophobicContact CB-CE 3.83Å; C13-H42 VanDerWaalsContact CB-CE1 3.41Å; C13-H42 WeakPolarHBondContact CB-CE1 3.38Å; C13-H42 VanDerWaalsContact CB-ND1 3.29Å; C13-H42 WeakPolarHBondContact CB-ND1 3.3Å; C13-H42 PolarHBondContact SG-N 3.33Å
14	T	89.9	Confident	61.6	Low	73 Å²	73	104.3 Å²	104.3	45%	0.448	55%	0.554	S	S	.	*	S	Bend	trans	-76.5	-27.8	-179.9	-56	0	0	0	0	112.7	L39 W40 F41	T14-L39 HydrophobicContact CG2-CB 4.36Å; T14-L39 HydrophobicContact CG2-CD1 3.75Å; T14-L39 HydrophobicContact CG2-CG 4.47Å; T14-L39 WeakPolarHBondContact OG1-CB 3.36Å; T14-W40 WeakPolarHBondContact CB-O 3.42Å; T14-W40 PolarHBondContact N-O 3.12Å; T14-W40 PolarHBondContact OG1-O 3.12Å; T14-F41 HydrophobicContact CG2-CE1 4.16Å; T14-F41 HydrophobicContact CG2-CZ 4.38Å
15	M	88	Confident	62.7	Low	100 Å²	100	106.1 Å²	106.1	49%	0.493	56%	0.557	S	S	.	*	S	Bend	trans	-85.9	-35.5	-175.7	-82.5	-109	-73	0	0	113.4	C13 F41 C45 V46 P62	C13-M15 PolarHBondContact SG-N 2.92Å; M15-F41 HydrophobicContact CB-CD1 4.13Å; M15-F41 HydrophobicContact CG-CD1 3.49Å; M15-F41 VanDerWaalsContact CG-CD1 3.49Å; M15-F41 HydrophobicContact CG-CE1 3.58Å; M15-C45 HydrophobicContact CB-CB 4Å; M15-C45 HydrophobicContact CE-CB 4.41Å; M15-C45 WeakPolarHBondContact CE-O 3.15Å; M15-V46 HydrophobicContact CE-CG1 4.29Å; M15-P62 HydrophobicContact CE-CG 4.41Å
16	C	85.6	Confident	63.9	Low	35 Å²	35	102.6 Å²	102.6	24%	0.236	52%	0.524	C	S	.	.	S	Bend	trans	-107.2	126.3	176.1	61.5	0	0	0	0	109.6	C13 H42	C13-C16 WeakPolarHBondContact CB-SG 3.41Å; C13-C16 PolarHBondContact SG-SG 3.42Å; C16-H42 VanDerWaalsContact SG-CE1 3.53Å; C16-H42 PolarHBondContact SG-ND1 3.09Å
17	R	67.2	Low	64.5	Low	243 Å²	243	101 Å²	101	92%	0.917	53%	0.531	S	S	*	.			trans	-71.8	127.1	166.9	-74.1	-177.1	175.1	179.7	-1.6	107.4	A19	R17-A19 PolarHBondContact O-N 2.62Å
18	P	58.9	Low	65.4	Low	75 Å²	75	105 Å²	105	49%	0.487	55%	0.549	S	S	.	.			trans	-61.7	115.1	174.5	23	-29.5	0	0	0	107.9	K20	P18-K20 PolarHBondContact O-N 3.06Å
19	A	55	Low	66.6	Low	59 Å²	59	98.8 Å²	98.8	49%	0.488	52%	0.521	S	S	.	.			trans	-64.4	127.6	157.2	0	0	0	0	0	105.4	R17 E21 N22	R17-A19 PolarHBondContact O-N 2.62Å; A19-E21 PolarHBondContact O-N 2.91Å; A19-N22 PolarHBondContact O-N 3Å
20	K	52.3	Low	68.4	Low	204 Å²	204	93.8 Å²	93.8	89%	0.887	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-21.6	-175	-80.5	-173.2	173.8	-175.2	0	114.1	P18	P18-K20 PolarHBondContact O-N 3.06Å
21	E	53.3	Low	69.9	Low	185 Å²	185	90.9 Å²	90.9	86%	0.864	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-14	-179.6	-69.3	175.3	168.9	0	0	114.6	A19	A19-E21 PolarHBondContact O-N 2.91Å
22	N	54.9	Low	71.2	Confident	82 Å²	82	89 Å²	89	44%	0.439	47%	0.469	S	S	.	.	S	Bend	trans	-113.2	7.9	-176.9	-72.8	-9.1	0	0	0	114.5	A19 E24 L25 D26	A19-N22 PolarHBondContact O-N 3Å; N22-E24 VanDerWaalsContact C-N 3.27Å; N22-E24 PolarHBondContact O-N 3.47Å; N22-L25 PolarHBondContact O-N 3.21Å; N22-L25 VanDerWaalsContact O-N 3.1Å; N22-D26 PolarHBondContact O-N 3.13Å; N22-D26 VanDerWaalsContact O-N 3.09Å
23	A	55.1	Low	71.9	Confident	56 Å²	56	86.8 Å²	86.8	46%	0.463	46%	0.459	S	S	.	.	H	α-helix	trans	-62.1	-31.9	-175.1	0	0	0	0	0	113.6
24	E	54.5	Low	72.3	Confident	181 Å²	181	86.4 Å²	86.4	85%	0.846	46%	0.456	S	S	*	.	H	α-helix	trans	-73	-33.2	175.4	-72.2	-175.7	168.8	0	0	112.6	N22	N22-E24 VanDerWaalsContact C-N 3.27Å; N22-E24 PolarHBondContact O-N 3.47Å
25	L	56.8	Low	72.7	Confident	124 Å²	124	87.4 Å²	87.4	65%	0.649	46%	0.459	S	S	*	.	H	α-helix	trans	-70.7	-35.8	176.6	-73.2	162.6	0	0	0	111.8	N22 A27	N22-L25 PolarHBondContact O-N 3.21Å; N22-L25 VanDerWaalsContact O-N 3.1Å; L25-A27 VanDerWaalsContact C-N 3.31Å; L25-A27 PolarHBondContact O-N 2.9Å
26	D	62.4	Low	73.1	Confident	29 Å²	29	85.5 Å²	85.5	16%	0.155	45%	0.453	C	S	.	.	H	α-helix	trans	-70.7	-23.2	179.3	-78.7	-17.5	0	0	0	113	N22 D28 D29 H42 R44	N22-D26 PolarHBondContact O-N 3.13Å; N22-D26 VanDerWaalsContact O-N 3.09Å; D26-D28 VanDerWaalsContact C-N 3.33Å; D26-D28 PolarHBondContact O-N 3.17Å; D26-D29 WeakPolarHBondContact O-CB 3.49Å; D26-D29 PolarHBondContact O-N 3.37Å; D26-H42 VanDerWaalsContact CG-CE1 3.46Å; D26-H42 IonicContact OD1-CE1 3.54Å; D26-H42 IonicContact OD2-CE1 2.76Å; D26-R44 IonicContact OD1-CZ 3.87Å; D26-R44 IonicContact OD1-NH2 2.62Å; D26-R44 PolarHBondContact OD1-NH2 2.92Å
27	A	64.8	Low	73.6	Confident	64 Å²	64	86.1 Å²	86.1	53%	0.529	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.8	-171	0	0	0	0	0	113.7	L25 D29	L25-A27 VanDerWaalsContact C-N 3.31Å; L25-A27 PolarHBondContact O-N 2.9Å; A27-D29 VanDerWaalsContact C-N 3.34Å
28	D	73.2	Confident	74.9	Confident	139 Å²	139	82.1 Å²	82.1	74%	0.743	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-2	-179.9	-78.7	-31.9	0	0	0	113.1	D26	D26-D28 VanDerWaalsContact C-N 3.33Å; D26-D28 PolarHBondContact O-N 3.17Å
29	D	81.1	Confident	76.6	Confident	44 Å²	44	82.3 Å²	82.3	24%	0.235	45%	0.445	C	S	.	.	S	Bend	trans	-74.6	141.4	-179.1	-79.2	-62.9	0	0	0	113.2	R6 D26 A27 M31 R44	R6-D29 PolarHBondContact NH1-O 3.43Å; D26-D29 WeakPolarHBondContact O-CB 3.49Å; D26-D29 PolarHBondContact O-N 3.37Å; A27-D29 VanDerWaalsContact C-N 3.34Å; D29-M31 PolarHBondContact O-N 3.35Å; D29-R44 IonicContact OD1-CZ 3.01Å; D29-R44 IonicContact OD1-NH1 3.62Å; D29-R44 PolarHBondContact OD1-NH1 3.16Å; D29-R44 IonicContact OD2-CZ 2.65Å; D29-R44 IonicContact OD2-NH1 2.89Å; D29-R44 PolarHBondContact OD2-NH1 3.37Å; D29-R44 IonicContact OD2-NH2 3.88Å; D29-R44 PolarHBondContact OD2-NH2 2.95Å
30	F	88.2	Confident	78.4	Confident	57 Å²	57	82.3 Å²	82.3	25%	0.25	43%	0.432	C	S	.	.			trans	-57.4	130	169	163.7	-112.9	0	0	0	109.8	V32 H42 G43 L48 E50 A53	F30-V32 HydrophobicContact CZ-CB 3.93Å; F30-H42 WeakPolarHBondContact O-CA 3.47Å; F30-G43 PolarHBondContact O-N 2.89Å; F30-L48 HydrophobicContact CE1-CD2 4.32Å; F30-L48 HydrophobicContact CE1-CG 4.26Å; F30-L48 WeakPolarHBondContact CE1-O 3.38Å; F30-L48 HydrophobicContact CZ-CD2 4.35Å; F30-E50 HydrophobicContact CB-CB 4.24Å; F30-E50 HydrophobicContact CD1-CB 4.11Å; F30-E50 HydrophobicContact CD2-CB 3.98Å; F30-E50 HydrophobicContact CD2-CG 3.78Å; F30-E50 HydrophobicContact CE2-CB 4.48Å; F30-E50 HydrophobicContact CE2-CG 4.24Å; F30-E50 HydrophobicContact CG-CB 3.81Å; F30-E50 HydrophobicContact CG-CG 4.11Å; F30-A53 HydrophobicContact CE1-CB 3.97Å; F30-A53 HydrophobicContact CE2-CB 3.92Å; F30-A53 HydrophobicContact CZ-CB 3.23Å
31	M	92.1	Very high	80.4	Confident	10 Å²	10	73 Å²	73	5%	0.049	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151	174.7	-56.9	-172.2	77.3	0	0	111.1	C13 D29 W40 F41	C13-M31 HydrophobicContact CB-CE 3.83Å; D29-M31 PolarHBondContact O-N 3.35Å; M31-W40 HydrophobicContact CB-CE3 3.85Å; M31-W40 HydrophobicContact CB-CZ3 4.28Å; M31-W40 HydrophobicContact CE-CB 3.87Å; M31-F41 CarbonylContact C-O 3.42Å; M31-F41 WeakPolarHBondContact CA-O 3.36Å; M31-F41 WeakPolarHBondContact CB-O 3.27Å
32	V	94.1	Very high	82.3	Confident	20 Å²	20	64.3 Å²	64.3	12%	0.121	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.2	176.9	63.7	0	0	0	0	109.8	F30 F41 V46 L48 F59	F30-V32 HydrophobicContact CZ-CB 3.93Å; V32-F41 HydrophobicContact CG1-CB 4.49Å; V32-F41 PolarHBondContact N-O 3.02Å; V32-F41 PolarHBondContact O-N 3.45Å; V32-V46 HydrophobicContact CG1-CG2 3.99Å; V32-L48 HydrophobicContact CB-CD2 4.3Å; V32-L48 HydrophobicContact CG1-CD2 3.97Å; V32-L48 HydrophobicContact CG2-CD2 4.29Å; V32-F59 HydrophobicContact CB-CD1 4.28Å; V32-F59 HydrophobicContact CG1-CD1 3.76Å; V32-F59 HydrophobicContact CG1-CD2 4.43Å; V32-F59 HydrophobicContact CG1-CE1 3.53Å; V32-F59 HydrophobicContact CG1-CE2 4.24Å; V32-F59 HydrophobicContact CG1-CG 4.22Å; V32-F59 HydrophobicContact CG1-CZ 3.8Å; V32-F59 HydrophobicContact CG2-CB 3.75Å; V32-F59 HydrophobicContact CG2-CD1 3.59Å; V32-F59 HydrophobicContact CG2-CD2 4.21Å; V32-F59 HydrophobicContact CG2-CE1 4.27Å; V32-F59 HydrophobicContact CG2-CG 3.56Å
33	A	95.2	Very high	84	Confident	32 Å²	32	60.5 Å²	60.5	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.3	173.9	0	0	0	0	0	110.1	L39 W40 F59	A33-L39 WeakPolarHBondContact CA-O 3.33Å; A33-W40 HydrophobicContact CB-CD2 3.88Å; A33-W40 HydrophobicContact CB-CE3 4.19Å; A33-W40 HydrophobicContact CB-CG 4.41Å; A33-W40 HydrophobicContact CB-CH2 4.16Å; A33-W40 HydrophobicContact CB-CZ2 3.82Å; A33-W40 HydrophobicContact CB-CZ3 4.32Å; A33-F59 WeakPolarHBondContact O-CD1 3.46Å
34	C	96.5	Very high	85.6	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.014	33%	0.333	C	S	.	.			trans	-79.7	124.7	173.7	-179.1	0	0	0	0	111	V36 C37 E38 L39 F41 F59 C61	C34-V36 PolarHBondContact O-N 3.25Å; C34-C37 VanDerWaalsContact SG-SG 3.67Å; C34-E38 WeakPolarHBondContact O-CA 3.39Å; C34-E38 PolarHBondContact O-N 2.84Å; C34-L39 PolarHBondContact N-O 2.88Å; C34-F41 HydrophobicContact CB-CE2 3.88Å; C34-F59 WeakPolarHBondContact CA-O 3.41Å; C34-F59 HydrophobicContact CB-CD1 4.32Å; C34-C61 HydrophobicContact CB-CB 3.91Å; C34-C61 PolarHBondContact SG-N 3.31Å
35	D	97.4	Very high	87.4	Confident	95 Å²	95	57.1 Å²	57.1	51%	0.508	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.6	-179.6	-66.3	-87.3	0	0	0	114.3	Q58 F59	D35-Q58 HydrophobicContact CB-CB 4.27Å; D35-Q58 VanDerWaalsContact OD2-CA 3.31Å; D35-Q58 WeakPolarHBondContact OD2-CA 3.34Å; D35-F59 PolarHBondContact N-O 2.95Å; D35-F59 PolarHBondContact OD2-N 3.32Å
36	V	97	Very high	89.2	Confident	60 Å²	60	52.3 Å²	52.3	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-44.8	-178.8	-178.4	0	0	0	0	112.2	C34 H60 C64 Q68	C34-V36 PolarHBondContact O-N 3.25Å; V36-H60 VanDerWaalsContact CG2-CD2 3.49Å; V36-H60 WeakPolarHBondContact CG2-CD2 3.42Å; V36-C64 HydrophobicContact CB-CB 3.83Å; V36-C64 HydrophobicContact CG1-CB 3.99Å; V36-C64 HydrophobicContact CG2-CB 4.1Å; V36-Q68 HydrophobicContact CB-CG 4.46Å; V36-Q68 HydrophobicContact CG1-CG 3.8Å; V36-Q68 HydrophobicContact CG2-CB 4.25Å; V36-Q68 HydrophobicContact CG2-CG 3.79Å
37	C	96	Very high	90.6	Very high	47 Å²	47	57.6 Å²	57.6	32%	0.318	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-1.7	-175.3	69.4	0	0	0	0	113.6	C34 L39 C64	C34-C37 VanDerWaalsContact SG-SG 3.67Å; C37-L39 HydrophobicContact CB-CD1 4.48Å; C37-L39 HydrophobicContact CB-CG 4.41Å; C37-L39 PolarHBondContact O-N 3.48Å; C37-C64 VanDerWaalsContact SG-SG 3.7Å
38	E	95.4	Very high	91.8	Very high	159 Å²	159	55.5 Å²	55.5	74%	0.743	29%	0.287	S	S	*	.			trans	59.7	8.8	178.3	-56.2	-177.5	166	0	0	114.9	C34	C34-E38 WeakPolarHBondContact O-CA 3.39Å; C34-E38 PolarHBondContact O-N 2.84Å
39	L	93.9	Very high	92.5	Very high	79 Å²	79	51.6 Å²	51.6	41%	0.414	27%	0.266	S	S	.	.			trans	-78.6	146.7	177.1	-65	177.6	0	0	0	111.2	T14 A33 C34 C37 F41	T14-L39 HydrophobicContact CG2-CB 4.36Å; T14-L39 HydrophobicContact CG2-CD1 3.75Å; T14-L39 HydrophobicContact CG2-CG 4.47Å; T14-L39 WeakPolarHBondContact OG1-CB 3.36Å; A33-L39 WeakPolarHBondContact CA-O 3.33Å; C34-L39 PolarHBondContact N-O 2.88Å; C37-L39 HydrophobicContact CB-CD1 4.48Å; C37-L39 HydrophobicContact CB-CG 4.41Å; C37-L39 PolarHBondContact O-N 3.48Å; L39-F41 HydrophobicContact CB-CE2 3.87Å; L39-F41 HydrophobicContact CB-CZ 3.95Å; L39-F41 VanDerWaalsContact O-CD2 3.31Å; L39-F41 WeakPolarHBondContact O-CD2 3.44Å; L39-F41 WeakPolarHBondContact O-CE2 3.36Å
40	W	93.4	Very high	92.9	Very high	60 Å²	60	54.2 Å²	54.2	23%	0.227	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146	-178.4	-73.1	79.9	0	0	0	112.6	Q10 T14 M31 A33	Q10-W40 HydrophobicContact CB-CD2 4.33Å; Q10-W40 HydrophobicContact CB-CZ2 4.1Å; Q10-W40 HydrophobicContact CG-CD2 4.46Å; Q10-W40 HydrophobicContact CG-CH2 4.38Å; Q10-W40 HydrophobicContact CG-CZ2 3.58Å; T14-W40 WeakPolarHBondContact CB-O 3.42Å; T14-W40 PolarHBondContact N-O 3.12Å; T14-W40 PolarHBondContact OG1-O 3.12Å; M31-W40 HydrophobicContact CB-CE3 3.85Å; M31-W40 HydrophobicContact CB-CZ3 4.28Å; M31-W40 HydrophobicContact CE-CB 3.87Å; A33-W40 HydrophobicContact CB-CD2 3.88Å; A33-W40 HydrophobicContact CB-CE3 4.19Å; A33-W40 HydrophobicContact CB-CG 4.41Å; A33-W40 HydrophobicContact CB-CH2 4.16Å; A33-W40 HydrophobicContact CB-CZ2 3.82Å; A33-W40 HydrophobicContact CB-CZ3 4.32Å
41	F	93.8	Very high	92.9	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137	-177.1	-57.2	-86.9	0	0	0	110.8	T14 M15 M31 V32 C34 L39 V46 F59 C61	T14-F41 HydrophobicContact CG2-CE1 4.16Å; T14-F41 HydrophobicContact CG2-CZ 4.38Å; M15-F41 HydrophobicContact CB-CD1 4.13Å; M15-F41 HydrophobicContact CG-CD1 3.49Å; M15-F41 VanDerWaalsContact CG-CD1 3.49Å; M15-F41 HydrophobicContact CG-CE1 3.58Å; M31-F41 CarbonylContact C-O 3.42Å; M31-F41 WeakPolarHBondContact CA-O 3.36Å; M31-F41 WeakPolarHBondContact CB-O 3.27Å; V32-F41 HydrophobicContact CG1-CB 4.49Å; V32-F41 PolarHBondContact N-O 3.02Å; V32-F41 PolarHBondContact O-N 3.45Å; C34-F41 HydrophobicContact CB-CE2 3.88Å; L39-F41 HydrophobicContact CB-CE2 3.87Å; L39-F41 HydrophobicContact CB-CZ 3.95Å; L39-F41 VanDerWaalsContact O-CD2 3.31Å; L39-F41 WeakPolarHBondContact O-CD2 3.44Å; L39-F41 WeakPolarHBondContact O-CE2 3.36Å; F41-V46 HydrophobicContact CB-CG1 3.61Å; F41-V46 HydrophobicContact CB-CG2 4.25Å; F41-V46 HydrophobicContact CD1-CG1 3.86Å; F41-V46 HydrophobicContact CG-CG1 3.77Å; F41-F59 HydrophobicContact CD2-CE1 4.16Å; F41-C61 HydrophobicContact CD2-CB 4.1Å; F41-C61 HydrophobicContact CE1-CB 4.3Å; F41-C61 HydrophobicContact CE2-CB 3.45Å; F41-C61 VanDerWaalsContact CE2-CB 3.45Å; F41-C61 HydrophobicContact CZ-CB 3.57Å
42	H	92.3	Very high	92.8	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.3	164.2	-61.2	130.6	0	0	0	109.5	C13 C16 D26 F30 R44 C45 V46	C13-H42 VanDerWaalsContact CB-CE1 3.41Å; C13-H42 WeakPolarHBondContact CB-CE1 3.38Å; C13-H42 VanDerWaalsContact CB-ND1 3.29Å; C13-H42 WeakPolarHBondContact CB-ND1 3.3Å; C13-H42 PolarHBondContact SG-N 3.33Å; C16-H42 VanDerWaalsContact SG-CE1 3.53Å; C16-H42 PolarHBondContact SG-ND1 3.09Å; D26-H42 VanDerWaalsContact CG-CE1 3.46Å; D26-H42 IonicContact OD1-CE1 3.54Å; D26-H42 IonicContact OD2-CE1 2.76Å; F30-H42 WeakPolarHBondContact O-CA 3.47Å; H42-R44 VanDerWaalsContact C-N 3.27Å; H42-R44 HydrophobicContact CB-CG 3.97Å; H42-R44 PolarHBondContact O-N 3.17Å; H42-C45 HydrophobicContact CB-CB 4.16Å; H42-C45 WeakPolarHBondContact O-CA 3.4Å; H42-C45 WeakPolarHBondContact O-CB 3.15Å; H42-C45 PolarHBondContact O-N 3.26Å; H42-V46 PolarHBondContact O-N 2.89Å
43	G	91.3	Very high	92.7	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-51.5	-47.5	176.1	0	0	0	0	0	112	F30 C45 V46 N47 L48	F30-G43 PolarHBondContact O-N 2.89Å; G43-C45 VanDerWaalsContact C-N 3.27Å; G43-C45 PolarHBondContact O-N 2.82Å; G43-V46 CarbonylContact O-C 3.52Å; G43-V46 WeakPolarHBondContact O-CG2 3.44Å; G43-V46 PolarHBondContact O-N 2.86Å; G43-V46 VanDerWaalsContact O-N 3.09Å; G43-N47 WeakPolarHBondContact O-CA 3.36Å; G43-N47 PolarHBondContact O-N 3.11Å; G43-L48 CarbonylContact C-O 3.58Å; G43-L48 VanDerWaalsContact C-O 3.24Å; G43-L48 WeakPolarHBondContact CA-O 3.23Å; G43-L48 PolarHBondContact O-N 2.74Å
44	R	89.1	Confident	92.4	Very high	132 Å²	132	54.8 Å²	54.8	50%	0.498	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-36.1	174.5	63.3	161	169.9	-95.4	-4.9	114.1	D26 D29 H42 V46 N47	D26-R44 IonicContact OD1-CZ 3.87Å; D26-R44 IonicContact OD1-NH2 2.62Å; D26-R44 PolarHBondContact OD1-NH2 2.92Å; D29-R44 IonicContact OD1-CZ 3.01Å; D29-R44 IonicContact OD1-NH1 3.62Å; D29-R44 PolarHBondContact OD1-NH1 3.16Å; D29-R44 IonicContact OD2-CZ 2.65Å; D29-R44 IonicContact OD2-NH1 2.89Å; D29-R44 PolarHBondContact OD2-NH1 3.37Å; D29-R44 IonicContact OD2-NH2 3.88Å; D29-R44 PolarHBondContact OD2-NH2 2.95Å; H42-R44 VanDerWaalsContact C-N 3.27Å; H42-R44 HydrophobicContact CB-CG 3.97Å; H42-R44 PolarHBondContact O-N 3.17Å; R44-V46 VanDerWaalsContact C-N 3.28Å; R44-V46 PolarHBondContact O-N 3.48Å; R44-N47 PolarHBondContact O-N 2.83Å
45	C	92.4	Very high	92.1	Very high	33 Å²	33	56.2 Å²	56.2	22%	0.223	29%	0.293	C	S	.	.	H	α-helix	trans	-69.9	-30.6	-178.7	-70.1	0	0	0	0	111.2	M15 H42 G43	M15-C45 HydrophobicContact CB-CB 4Å; M15-C45 HydrophobicContact CE-CB 4.41Å; M15-C45 WeakPolarHBondContact CE-O 3.15Å; H42-C45 HydrophobicContact CB-CB 4.16Å; H42-C45 WeakPolarHBondContact O-CA 3.4Å; H42-C45 WeakPolarHBondContact O-CB 3.15Å; H42-C45 PolarHBondContact O-N 3.26Å; G43-C45 VanDerWaalsContact C-N 3.27Å; G43-C45 PolarHBondContact O-N 2.82Å
46	V	94	Very high	92	Very high	23 Å²	23	53.3 Å²	53.3	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-105	10.2	178	-65.1	0	0	0	0	113.1	M15 V32 F41 H42 G43 R44 L48 F59 P62	M15-V46 HydrophobicContact CE-CG1 4.29Å; V32-V46 HydrophobicContact CG1-CG2 3.99Å; F41-V46 HydrophobicContact CB-CG1 3.61Å; F41-V46 HydrophobicContact CB-CG2 4.25Å; F41-V46 HydrophobicContact CD1-CG1 3.86Å; F41-V46 HydrophobicContact CG-CG1 3.77Å; H42-V46 PolarHBondContact O-N 2.89Å; G43-V46 CarbonylContact O-C 3.52Å; G43-V46 WeakPolarHBondContact O-CG2 3.44Å; G43-V46 PolarHBondContact O-N 2.86Å; G43-V46 VanDerWaalsContact O-N 3.09Å; R44-V46 VanDerWaalsContact C-N 3.28Å; R44-V46 PolarHBondContact O-N 3.48Å; V46-L48 HydrophobicContact CG2-CB 3.98Å; V46-F59 HydrophobicContact CB-CZ 3.98Å; V46-F59 HydrophobicContact CG1-CZ 4.19Å; V46-F59 HydrophobicContact CG2-CE2 4.36Å; V46-F59 HydrophobicContact CG2-CZ 3.76Å; V46-P62 HydrophobicContact CG1-CG 4.16Å
47	N	91	Very high	91.9	Very high	141 Å²	141	55.7 Å²	55.7	75%	0.754	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	52.2	-176.1	-166.7	61.3	0	0	0	113	G43 R44	G43-N47 WeakPolarHBondContact O-CA 3.36Å; G43-N47 PolarHBondContact O-N 3.11Å; R44-N47 PolarHBondContact O-N 2.83Å
48	L	91.4	Very high	91.9	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.099	29%	0.288	C	S	.	.			trans	-128.2	118.8	177.4	-176.7	67.5	0	0	0	109.4	F30 V32 G43 V46 D52 A53 I56 F59	F30-L48 HydrophobicContact CE1-CD2 4.32Å; F30-L48 HydrophobicContact CE1-CG 4.26Å; F30-L48 WeakPolarHBondContact CE1-O 3.38Å; F30-L48 HydrophobicContact CZ-CD2 4.35Å; V32-L48 HydrophobicContact CB-CD2 4.3Å; V32-L48 HydrophobicContact CG1-CD2 3.97Å; V32-L48 HydrophobicContact CG2-CD2 4.29Å; G43-L48 CarbonylContact C-O 3.58Å; G43-L48 VanDerWaalsContact C-O 3.24Å; G43-L48 WeakPolarHBondContact CA-O 3.23Å; G43-L48 PolarHBondContact O-N 2.74Å; V46-L48 HydrophobicContact CG2-CB 3.98Å; L48-D52 HydrophobicContact CD1-CB 3.84Å; L48-A53 HydrophobicContact CD2-CB 3.73Å; L48-A53 HydrophobicContact CG-CB 4.06Å; L48-I56 HydrophobicContact CD1-CD1 3.67Å; L48-I56 HydrophobicContact CD2-CD1 3.97Å; L48-I56 HydrophobicContact CG-CD1 4.49Å; L48-F59 HydrophobicContact CD2-CD2 3.93Å; L48-F59 HydrophobicContact CD2-CE2 3.91Å
49	D	87.9	Confident	92	Very high	57 Å²	57	50.5 Å²	50.5	31%	0.305	26%	0.255	S	S	.	.			trans	-81.5	150.8	174	-67.5	-31	0	0	0	109.9	I51 D52 A53 K189	D49-I51 HydrophobicContact CB-CG2 4.36Å; D49-I51 PolarHBondContact O-N 2.85Å; D49-D52 PolarHBondContact O-N 2.86Å; D49-A53 PolarHBondContact O-N 3.32Å; D49-K189 IonicContact OD1-NZ 3.57Å; D49-K189 PolarHBondContact OD1-NZ 2.91Å; D49-K189 IonicContact OD2-NZ 2.64Å; D49-K189 PolarHBondContact OD2-NZ 3.15Å
50	E	88.5	Confident	92.2	Very high	100 Å²	100	47.5 Å²	47.5	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-55.9	-38.1	-175.2	-173.8	-168.4	151.5	0	0	112.1	F30 D52 A53 A54 R181	F30-E50 HydrophobicContact CB-CB 4.24Å; F30-E50 HydrophobicContact CD1-CB 4.11Å; F30-E50 HydrophobicContact CD2-CB 3.98Å; F30-E50 HydrophobicContact CD2-CG 3.78Å; F30-E50 HydrophobicContact CE2-CB 4.48Å; F30-E50 HydrophobicContact CE2-CG 4.24Å; F30-E50 HydrophobicContact CG-CB 3.81Å; F30-E50 HydrophobicContact CG-CG 4.11Å; E50-D52 VanDerWaalsContact C-N 3.34Å; E50-D52 PolarHBondContact O-N 2.86Å; E50-A53 WeakPolarHBondContact O-CB 3.43Å; E50-A53 PolarHBondContact O-N 3.47Å; E50-A54 PolarHBondContact O-N 2.83Å; E50-R181 IonicContact OE1-CZ 2.71Å; E50-R181 IonicContact OE1-NH1 2.71Å; E50-R181 IonicContact OE1-NH2 3.9Å; E50-R181 PolarHBondContact OE1-NH2 3.47Å
51	I	88.2	Confident	92.4	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.087	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-38.4	179.6	-170.3	170.6	0	0	0	112.4	D49 A54 D176 F183 R201	D49-I51 HydrophobicContact CB-CG2 4.36Å; D49-I51 PolarHBondContact O-N 2.85Å; I51-A54 WeakPolarHBondContact O-CB 3.48Å; I51-A54 PolarHBondContact O-N 2.91Å; I51-D176 HydrophobicContact CD1-CB 3.72Å; I51-F183 HydrophobicContact CB-CD2 4.2Å; I51-F183 HydrophobicContact CB-CE2 4.35Å; I51-F183 HydrophobicContact CB-CG 4.4Å; I51-F183 HydrophobicContact CD1-CD1 3.49Å; I51-F183 VanDerWaalsContact CD1-CD1 3.49Å; I51-F183 HydrophobicContact CD1-CD2 4.2Å; I51-F183 HydrophobicContact CD1-CE1 3.23Å; I51-F183 HydrophobicContact CD1-CE2 3.97Å; I51-F183 HydrophobicContact CD1-CG 3.97Å; I51-F183 HydrophobicContact CD1-CZ 3.49Å; I51-F183 VanDerWaalsContact CD1-CZ 3.49Å; I51-F183 HydrophobicContact CG2-CD2 4.07Å; I51-F183 HydrophobicContact CG2-CE2 3.83Å; I51-F183 HydrophobicContact CG2-CZ 4.31Å; I51-R201 PolarHBondContact O-NH2 2.93Å; I51-R201 VanDerWaalsContact O-NH2 3.12Å
52	D	89.5	Confident	92.5	Very high	58 Å²	58	47 Å²	47	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-74.6	-32.6	178.8	-65.4	-35	0	0	0	111.7	L48 D49 E50 A54 D55 R201	L48-D52 HydrophobicContact CD1-CB 3.84Å; D49-D52 PolarHBondContact O-N 2.86Å; E50-D52 VanDerWaalsContact C-N 3.34Å; E50-D52 PolarHBondContact O-N 2.86Å; D52-A54 PolarHBondContact O-N 3.08Å; D52-D55 PolarHBondContact O-N 3.25Å; D52-R201 IonicContact OD1-CZ 2.66Å; D52-R201 IonicContact OD1-NE 3.84Å; D52-R201 PolarHBondContact OD1-NE 3.17Å; D52-R201 IonicContact OD1-NH2 3.74Å; D52-R201 PolarHBondContact OD1-NH2 3.27Å
53	A	92.1	Very high	92.7	Very high	20 Å²	20	51.9 Å²	51.9	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-31.8	172.4	0	0	0	0	0	112.7	F30 L48 D49 E50 D55 I56	F30-A53 HydrophobicContact CE1-CB 3.97Å; F30-A53 HydrophobicContact CE2-CB 3.92Å; F30-A53 HydrophobicContact CZ-CB 3.23Å; L48-A53 HydrophobicContact CD2-CB 3.73Å; L48-A53 HydrophobicContact CG-CB 4.06Å; D49-A53 PolarHBondContact O-N 3.32Å; E50-A53 WeakPolarHBondContact O-CB 3.43Å; E50-A53 PolarHBondContact O-N 3.47Å; A53-D55 PolarHBondContact O-N 2.9Å; A53-I56 PolarHBondContact O-N 3.29Å; A53-I56 VanDerWaalsContact O-N 3.1Å
54	A	88.8	Confident	93	Very high	35 Å²	35	52.5 Å²	52.5	29%	0.289	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.6	176.9	0	0	0	0	0	113.6	E50 I51 D52 R74	E50-A54 PolarHBondContact O-N 2.83Å; I51-A54 WeakPolarHBondContact O-CB 3.48Å; I51-A54 PolarHBondContact O-N 2.91Å; D52-A54 PolarHBondContact O-N 3.08Å; A54-R74 PolarHBondContact O-NE 3.29Å
55	D	92.1	Very high	93.3	Very high	33 Å²	33	53.5 Å²	53.5	18%	0.176	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.9	176.5	-64.7	5.9	0	0	0	112.6	D52 A53 A73 R74 W84 R179 R201	D52-D55 PolarHBondContact O-N 3.25Å; A53-D55 PolarHBondContact O-N 2.9Å; D55-A73 WeakPolarHBondContact O-CA 3.44Å; D55-R74 PolarHBondContact O-N 3.09Å; D55-W84 HydrophobicContact CB-CH2 4.44Å; D55-W84 HydrophobicContact CB-CZ2 3.97Å; D55-R179 IonicContact OD1-CZ 3.15Å; D55-R179 IonicContact OD1-NH1 3.33Å; D55-R179 PolarHBondContact OD1-NH1 2.81Å; D55-R179 IonicContact OD1-NH2 3.18Å; D55-R179 PolarHBondContact OD1-NH2 3.46Å; D55-R201 IonicContact OD1-CZ 3.08Å; D55-R201 IonicContact OD1-NH1 2.85Å; D55-R201 PolarHBondContact OD1-NH1 2.89Å; D55-R201 IonicContact OD1-NH2 3.56Å; D55-R201 PolarHBondContact OD1-NH2 3.17Å; D55-R201 IonicContact OD2-CZ 3.62Å; D55-R201 IonicContact OD2-NH1 3.04Å; D55-R201 PolarHBondContact OD2-NH1 2.68Å; D55-R201 VanDerWaalsContact OD2-NH1 3.08Å; D55-R201 IonicContact OD2-NH2 2.84Å; D55-R201 PolarHBondContact OD2-NH2 2.91Å
56	I	94.5	Very high	93.6	Very high	33 Å²	33	62.2 Å²	62.2	17%	0.169	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.8	-179.3	-63.5	176	0	0	0	108.6	L48 A53 Q58 F59	L48-I56 HydrophobicContact CD1-CD1 3.67Å; L48-I56 HydrophobicContact CD2-CD1 3.97Å; L48-I56 HydrophobicContact CG-CD1 4.49Å; A53-I56 PolarHBondContact O-N 3.29Å; A53-I56 VanDerWaalsContact O-N 3.1Å; I56-Q58 WeakPolarHBondContact CG2-O 3.38Å; I56-F59 HydrophobicContact CD1-CD2 4.23Å; I56-F59 HydrophobicContact CG2-CB 3.95Å
57	E	94.8	Very high	93.7	Very high	110 Å²	110	66.9 Å²	66.9	51%	0.514	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-46.2	171	-172.6	178.2	177.4	0	0	110.4	V72 R74	E57-V72 PolarHBondContact N-O 3.14Å; E57-R74 HydrophobicContact CB-CG 3.85Å
58	Q	96.7	Very high	93.9	Very high	84 Å²	84	65.8 Å²	65.8	39%	0.393	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.9	176.3	-57.8	176.8	1.1	0	0	109.9	D35 I56 S71 V72	D35-Q58 HydrophobicContact CB-CB 4.27Å; D35-Q58 VanDerWaalsContact OD2-CA 3.31Å; D35-Q58 WeakPolarHBondContact OD2-CA 3.34Å; I56-Q58 WeakPolarHBondContact CG2-O 3.38Å; Q58-S71 CarbonylContact O-C 3.44Å; Q58-S71 WeakPolarHBondContact O-CA 3.3Å; Q58-S71 VanDerWaalsContact O-CB 3.25Å; Q58-S71 WeakPolarHBondContact O-CB 3.41Å; Q58-V72 HydrophobicContact CB-CB 3.98Å; Q58-V72 HydrophobicContact CB-CG2 4.14Å; Q58-V72 HydrophobicContact CG-CB 4.4Å; Q58-V72 PolarHBondContact N-O 3.02Å; Q58-V72 VanDerWaalsContact N-O 3.12Å; Q58-V72 PolarHBondContact O-N 3.36Å
59	F	97.6	Very high	94.2	Very high	14 Å²	14	66 Å²	66	6%	0.061	34%	0.335	C	S	.	.			trans	-84.4	122.2	176.8	176.8	-108.3	0	0	0	111.2	V32 A33 C34 D35 F41 V46 L48 I56 C61	V32-F59 HydrophobicContact CB-CD1 4.28Å; V32-F59 HydrophobicContact CG1-CD1 3.76Å; V32-F59 HydrophobicContact CG1-CD2 4.43Å; V32-F59 HydrophobicContact CG1-CE1 3.53Å; V32-F59 HydrophobicContact CG1-CE2 4.24Å; V32-F59 HydrophobicContact CG1-CG 4.22Å; V32-F59 HydrophobicContact CG1-CZ 3.8Å; V32-F59 HydrophobicContact CG2-CB 3.75Å; V32-F59 HydrophobicContact CG2-CD1 3.59Å; V32-F59 HydrophobicContact CG2-CD2 4.21Å; V32-F59 HydrophobicContact CG2-CE1 4.27Å; V32-F59 HydrophobicContact CG2-CG 3.56Å; A33-F59 WeakPolarHBondContact O-CD1 3.46Å; C34-F59 WeakPolarHBondContact CA-O 3.41Å; C34-F59 HydrophobicContact CB-CD1 4.32Å; D35-F59 PolarHBondContact N-O 2.95Å; D35-F59 PolarHBondContact OD2-N 3.32Å; F41-F59 HydrophobicContact CD2-CE1 4.16Å; V46-F59 HydrophobicContact CB-CZ 3.98Å; V46-F59 HydrophobicContact CG1-CZ 4.19Å; V46-F59 HydrophobicContact CG2-CE2 4.36Å; V46-F59 HydrophobicContact CG2-CZ 3.76Å; L48-F59 HydrophobicContact CD2-CD2 3.93Å; L48-F59 HydrophobicContact CD2-CE2 3.91Å; I56-F59 HydrophobicContact CD1-CD2 4.23Å; I56-F59 HydrophobicContact CG2-CB 3.95Å; F59-C61 HydrophobicContact CE1-CB 4.09Å; F59-C61 HydrophobicContact CZ-CB 4.49Å
60	H	97.7	Very high	94.6	Very high	16 Å²	16	67.3 Å²	67.3	7%	0.074	35%	0.347	C	S	.	.			trans	-106.5	115.8	172.2	-63.4	168.6	0	0	0	110.2	V36 R65 G69 P70 S71	V36-H60 VanDerWaalsContact CG2-CD2 3.49Å; V36-H60 WeakPolarHBondContact CG2-CD2 3.42Å; H60-R65 HydrophobicContact CB-CB 4.2Å; H60-G69 PolarHBondContact ND1-O 3.32Å; H60-P70 PolarHBondContact ND1-O 3.3Å; H60-S71 PolarHBondContact N-OG 2.85Å
61	C	96.4	Very high	95	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.02	34%	0.338	C	S	.	.			trans	-62.3	164.4	177.3	79.1	0	0	0	0	112.1	C34 F41 F59 T63 C64 R65	C34-C61 HydrophobicContact CB-CB 3.91Å; C34-C61 PolarHBondContact SG-N 3.31Å; F41-C61 HydrophobicContact CD2-CB 4.1Å; F41-C61 HydrophobicContact CE1-CB 4.3Å; F41-C61 HydrophobicContact CE2-CB 3.45Å; F41-C61 VanDerWaalsContact CE2-CB 3.45Å; F41-C61 HydrophobicContact CZ-CB 3.57Å; F59-C61 HydrophobicContact CE1-CB 4.09Å; F59-C61 HydrophobicContact CZ-CB 4.49Å; C61-T63 PolarHBondContact O-N 3.44Å; C61-C64 PolarHBondContact O-N 3.09Å; C61-C64 VanDerWaalsContact O-N 3.1Å; C61-C64 PolarHBondContact SG-N 3.2Å; C61-C64 VanDerWaalsContact SG-N 3.45Å; C61-C64 VanDerWaalsContact SG-SG 3.62Å; C61-R65 VanDerWaalsContact O-CB 3.3Å; C61-R65 WeakPolarHBondContact O-CB 3.5Å; C61-R65 PolarHBondContact O-N 3.03Å
62	P	96.1	Very high	95.4	Very high	54 Å²	54	66.4 Å²	66.4	35%	0.351	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.5	-176.8	-29.2	36	0	0	0	115.2	M15 V46	M15-P62 HydrophobicContact CE-CG 4.41Å; V46-P62 HydrophobicContact CG1-CG 4.16Å
63	T	96.2	Very high	95.6	Very high	105 Å²	105	66.7 Å²	66.7	64%	0.644	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-53.1	175.8	-55.7	0	0	0	0	111.4	C61 R65 R66	C61-T63 PolarHBondContact O-N 3.44Å; T63-R65 VanDerWaalsContact C-N 3.27Å; T63-R65 PolarHBondContact O-N 3.16Å; T63-R66 WeakPolarHBondContact O-CB 3.38Å; T63-R66 PolarHBondContact O-N 3.05Å
64	C	97.8	Very high	95.6	Very high	16 Å²	16	70.7 Å²	70.7	11%	0.108	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.9	-177.6	-67.4	0	0	0	0	112	V36 C37 C61 R66 V67 Q68	V36-C64 HydrophobicContact CB-CB 3.83Å; V36-C64 HydrophobicContact CG1-CB 3.99Å; V36-C64 HydrophobicContact CG2-CB 4.1Å; C37-C64 VanDerWaalsContact SG-SG 3.7Å; C61-C64 PolarHBondContact O-N 3.09Å; C61-C64 VanDerWaalsContact O-N 3.1Å; C61-C64 PolarHBondContact SG-N 3.2Å; C61-C64 VanDerWaalsContact SG-N 3.45Å; C61-C64 VanDerWaalsContact SG-SG 3.62Å; C64-R66 PolarHBondContact O-N 2.99Å; C64-R66 VanDerWaalsContact O-N 3.13Å; C64-V67 PolarHBondContact O-N 3.17Å; C64-Q68 PolarHBondContact O-N 3.21Å
65	R	96.9	Very high	95.9	Very high	152 Å²	152	76.8 Å²	76.8	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-55.9	-30.4	176	171.6	172	-179.1	-169.9	2.1	113.6	H60 C61 T63 V67 G69	H60-R65 HydrophobicContact CB-CB 4.2Å; C61-R65 VanDerWaalsContact O-CB 3.3Å; C61-R65 WeakPolarHBondContact O-CB 3.5Å; C61-R65 PolarHBondContact O-N 3.03Å; T63-R65 VanDerWaalsContact C-N 3.27Å; T63-R65 PolarHBondContact O-N 3.16Å; R65-V67 PolarHBondContact O-N 3.09Å; R65-G69 WeakPolarHBondContact CA-O 3.2Å; R65-G69 CarbonylContact O-C 3.41Å; R65-G69 VanDerWaalsContact O-CA 3.25Å; R65-G69 WeakPolarHBondContact O-CA 3.45Å; R65-G69 PolarHBondContact O-N 2.86Å; R65-G69 VanDerWaalsContact O-N 3.08Å
66	R	96.8	Very high	95.9	Very high	217 Å²	217	80.8 Å²	80.8	82%	0.819	41%	0.411	S	S	*	.	H	α-helix	trans	-70.9	-21	179.2	-62.6	176.8	-175.2	-175.6	-0.7	113	T63 C64	T63-R66 WeakPolarHBondContact O-CB 3.38Å; T63-R66 PolarHBondContact O-N 3.05Å; C64-R66 PolarHBondContact O-N 2.99Å; C64-R66 VanDerWaalsContact O-N 3.13Å
67	V	96.3	Very high	95.9	Very high	120 Å²	120	81.6 Å²	81.6	73%	0.727	42%	0.422	S	S	*	.	H	α-helix	trans	-109.5	-45.3	-175.7	-173.5	0	0	0	0	110.9	C64 R65	C64-V67 PolarHBondContact O-N 3.17Å; R65-V67 PolarHBondContact O-N 3.09Å
68	Q	96	Very high	96	Very high	118 Å²	118	76.8 Å²	76.8	55%	0.551	40%	0.4	S	S	*	.	H	α-helix	trans	-93.5	-7.4	-176.7	-58.5	-60.1	-15.2	0	0	113.8	V36 C64	V36-Q68 HydrophobicContact CB-CG 4.46Å; V36-Q68 HydrophobicContact CG1-CG 3.8Å; V36-Q68 HydrophobicContact CG2-CB 4.25Å; V36-Q68 HydrophobicContact CG2-CG 3.79Å; C64-Q68 PolarHBondContact O-N 3.21Å
69	G	96.5	Very high	95.9	Very high	23 Å²	23	75.8 Å²	75.8	24%	0.237	40%	0.397	C	S	.	.			trans	87.4	179.5	-173.1	0	0	0	0	0	113.2	H60 R65	H60-G69 PolarHBondContact ND1-O 3.32Å; R65-G69 WeakPolarHBondContact CA-O 3.2Å; R65-G69 CarbonylContact O-C 3.41Å; R65-G69 VanDerWaalsContact O-CA 3.25Å; R65-G69 WeakPolarHBondContact O-CA 3.45Å; R65-G69 PolarHBondContact O-N 2.86Å; R65-G69 VanDerWaalsContact O-N 3.08Å
70	P	96.6	Very high	95.8	Very high	85 Å²	85	75.4 Å²	75.4	55%	0.552	40%	0.396	S	S	*	.	S	Bend	trans	-60.2	163.5	-178.8	29.3	-35.8	0	0	0	112.4	H60	H60-P70 PolarHBondContact ND1-O 3.3Å
71	S	97	Very high	95.7	Very high	39 Å²	39	76.1 Å²	76.1	27%	0.273	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-54.4	144.6	169.9	-54.9	0	0	0	0	110.9	Q58 H60	Q58-S71 CarbonylContact O-C 3.44Å; Q58-S71 WeakPolarHBondContact O-CA 3.3Å; Q58-S71 VanDerWaalsContact O-CB 3.25Å; Q58-S71 WeakPolarHBondContact O-CB 3.41Å; H60-S71 PolarHBondContact N-OG 2.85Å
72	V	96.4	Very high	95.7	Very high	60 Å²	60	78.3 Å²	78.3	36%	0.364	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.5	178.1	-174.5	0	0	0	0	108.5	E57 Q58	E57-V72 PolarHBondContact N-O 3.14Å; Q58-V72 HydrophobicContact CB-CB 3.98Å; Q58-V72 HydrophobicContact CB-CG2 4.14Å; Q58-V72 HydrophobicContact CG-CB 4.4Å; Q58-V72 PolarHBondContact N-O 3.02Å; Q58-V72 VanDerWaalsContact N-O 3.12Å; Q58-V72 PolarHBondContact O-N 3.36Å
73	A	93.7	Very high	95.6	Very high	64 Å²	64	79.2 Å²	79.2	53%	0.529	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	147.9	175.1	0	0	0	0	0	110.3	D55	D55-A73 WeakPolarHBondContact O-CA 3.44Å
74	R	93.7	Very high	95.4	Very high	103 Å²	103	76.3 Å²	76.3	39%	0.389	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-57.8	144.1	169	-68.5	175	176.9	-115.4	-3.3	109.7	A54 D55 E57 W84 S85	A54-R74 PolarHBondContact O-NE 3.29Å; D55-R74 PolarHBondContact O-N 3.09Å; E57-R74 HydrophobicContact CB-CG 3.85Å; R74-W84 HydrophobicContact CB-CH2 3.64Å; R74-W84 HydrophobicContact CB-CZ3 3.7Å; R74-W84 WeakPolarHBondContact O-CH2 3.36Å; R74-W84 VanDerWaalsContact O-CZ3 3.23Å; R74-W84 WeakPolarHBondContact O-CZ3 3.49Å; R74-S85 PolarHBondContact NH1-OG 3.44Å
75	E	93.1	Very high	95.2	Very high	163 Å²	163	76.6 Å²	76.6	76%	0.762	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-82	138.5	175.1	-67.5	-166	164.4	0	0	111.7	A77 W84 S85	E75-A77 PolarHBondContact O-N 3.42Å; E75-W84 WeakPolarHBondContact O-CZ3 3.28Å; E75-S85 WeakPolarHBondContact O-CA 3.46Å
76	K	92.9	Very high	95	Very high	118 Å²	118	70.8 Å²	70.8	51%	0.513	37%	0.368	S	S	.	.			trans	-75.9	109.6	175.4	-162.3	-174.2	-165.7	-170.4	0	110.2	N79 W84	K76-N79 WeakPolarHBondContact CE-OD1 3.43Å; K76-N79 PolarHBondContact NZ-OD1 3.17Å; K76-W84 HydrophobicContact CB-CE3 4.02Å; K76-W84 HydrophobicContact CB-CZ3 4.3Å; K76-W84 HydrophobicContact CG-CB 4.21Å; K76-W84 HydrophobicContact CG-CD2 4.49Å; K76-W84 HydrophobicContact CG-CE3 4.05Å
77	A	95.5	Very high	95	Very high	49 Å²	49	65.7 Å²	65.7	41%	0.405	36%	0.36	S	S	.	.			trans	-99.9	-27.2	-178.6	0	0	0	0	0	113.3	E75 W84 V87	E75-A77 PolarHBondContact O-N 3.42Å; A77-W84 PolarHBondContact N-O 3.38Å; A77-V87 HydrophobicContact CB-CG1 4.2Å
78	N	95.6	Very high	94.9	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.053	35%	0.349	C	S	.	.			trans	-147.5	165.5	-179.3	78.9	83.2	0	0	0	113.2	N80 R81 D83 W84 D86	N78-N80 PolarHBondContact OD1-N 3.2Å; N78-R81 WeakPolarHBondContact OD1-CB 3.49Å; N78-R81 PolarHBondContact OD1-N 2.99Å; N78-D83 PolarHBondContact ND2-O 2.89Å; N78-W84 PolarHBondContact N-O 3.39Å; N78-W84 PolarHBondContact ND2-O 2.99Å; N78-D86 PolarHBondContact ND2-O 2.85Å
79	N	94.8	Very high	94.9	Very high	62 Å²	62	58.6 Å²	58.6	33%	0.332	32%	0.322	S	S	.	.	S	Bend	trans	-115.4	7.8	173.7	-66.3	-29	0	0	0	112.3	K76 Q99 Q100	K76-N79 WeakPolarHBondContact CE-OD1 3.43Å; K76-N79 PolarHBondContact NZ-OD1 3.17Å; N79-Q99 HydrophobicContact CB-CB 4.25Å; N79-Q99 PolarHBondContact O-N 3.07Å; N79-Q99 PolarHBondContact OD1-OE1 3.42Å; N79-Q100 HydrophobicContact CB-CB 4.1Å; N79-Q100 VanDerWaalsContact O-CB 3.25Å; N79-Q100 WeakPolarHBondContact O-CB 3.41Å; N79-Q100 PolarHBondContact O-N 2.76Å
80	N	95.3	Very high	94.7	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.037	34%	0.338	C	S	.	.	S	Bend	trans	-101.6	-22.4	-164	-175.7	60.7	0	0	0	112.5	N78 G89 K92 P93 L94 Q95 S98 Q100	N78-N80 PolarHBondContact OD1-N 3.2Å; N80-G89 PolarHBondContact ND2-O 3.47Å; N80-K92 PolarHBondContact ND2-O 2.75Å; N80-P93 PolarHBondContact ND2-O 2.83Å; N80-L94 HydrophobicContact CB-CD1 4.47Å; N80-L94 WeakPolarHBondContact OD1-CA 3.44Å; N80-L94 VanDerWaalsContact OD1-CB 3.28Å; N80-L94 WeakPolarHBondContact OD1-CB 3.3Å; N80-L94 WeakPolarHBondContact OD1-CD1 3.39Å; N80-Q95 PolarHBondContact O-N 3.26Å; N80-S98 PolarHBondContact O-OG 3.37Å; N80-Q100 PolarHBondContact OD1-OE1 3.37Å
81	R	96.5	Very high	94.7	Very high	31 Å²	31	64.2 Å²	64.2	12%	0.117	35%	0.348	C	S	.	.	S	Bend	trans	-124.7	157.2	-170	-53.2	-58.1	-62.8	-165.2	-0.2	110.8	N78 D83 G89 P93 Q95 E312	N78-R81 WeakPolarHBondContact OD1-CB 3.49Å; N78-R81 PolarHBondContact OD1-N 2.99Å; R81-D83 VanDerWaalsContact C-N 3.28Å; R81-D83 PolarHBondContact O-N 3.01Å; R81-G89 VanDerWaalsContact CG-O 3.31Å; R81-G89 WeakPolarHBondContact CG-O 3.28Å; R81-P93 WeakPolarHBondContact CD-O 3.4Å; R81-P93 PolarHBondContact NH1-O 2.78Å; R81-Q95 VanDerWaalsContact CA-OE1 3.27Å; R81-Q95 VanDerWaalsContact CZ-CD 3.48Å; R81-E312 IonicContact CZ-OE1 3.81Å; R81-E312 IonicContact NH1-OE1 3.87Å; R81-E312 PolarHBondContact NH1-OE1 3.25Å; R81-E312 IonicContact NH2-OE1 2.8Å; R81-E312 PolarHBondContact NH2-OE1 3.1Å
82	Y	95.1	Very high	94.6	Very high	48 Å²	48	66.7 Å²	66.7	19%	0.188	35%	0.354	C	S	.	.	S	Bend	trans	-61.3	-39.6	170.4	-59	-27.7	0	0	0	111.9	W84 Q95 T96 N178 Q180 S311	Y82-W84 PolarHBondContact O-N 3.14Å; Y82-Q95 HydrophobicContact CD1-CB 4.13Å; Y82-Q95 HydrophobicContact CE1-CB 3.79Å; Y82-Q95 HydrophobicContact CE2-CB 4.4Å; Y82-Q95 VanDerWaalsContact CE2-NE2 3.3Å; Y82-T96 WeakPolarHBondContact CE1-O 3.29Å; Y82-T96 PolarHBondContact OH-O 2.88Å; Y82-T96 VanDerWaalsContact OH-O 3.1Å; Y82-T96 PolarHBondContact OH-OG1 2.71Å; Y82-N178 VanDerWaalsContact CD1-O 3.31Å; Y82-N178 WeakPolarHBondContact CD1-O 3.31Å; Y82-Q180 HydrophobicContact CE1-CB 3.97Å; Y82-Q180 HydrophobicContact CE1-CG 3.61Å; Y82-Q180 HydrophobicContact CE2-CB 4.28Å; Y82-Q180 WeakPolarHBondContact OH-CG 3.14Å; Y82-S311 WeakPolarHBondContact OH-CB 3.4Å
83	D	94.1	Very high	94.6	Very high	74 Å²	74	67.1 Å²	67.1	40%	0.396	36%	0.358	S	S	.	.			trans	-82.8	89.3	166	-172	-2.9	0	0	0	109.6	N78 R81 S85 D86	N78-D83 PolarHBondContact ND2-O 2.89Å; R81-D83 VanDerWaalsContact C-N 3.28Å; R81-D83 PolarHBondContact O-N 3.01Å; D83-S85 PolarHBondContact O-N 3.1Å; D83-S85 WeakPolarHBondContact OD1-CA 3.45Å; D83-S85 WeakPolarHBondContact OD1-CB 3.28Å; D83-S85 PolarHBondContact OD1-N 3.39Å; D83-S85 PolarHBondContact OD1-OG 3.02Å; D83-D86 HydrophobicContact CB-CB 4.3Å; D83-D86 WeakPolarHBondContact O-CB 3.19Å; D83-D86 PolarHBondContact O-N 2.88Å; D83-D86 PolarHBondContact OD1-N 2.94Å
84	W	92.1	Very high	94.7	Very high	44 Å²	44	65.9 Å²	65.9	17%	0.167	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.5	176.8	53	-103.9	0	0	0	113.3	D55 R74 E75 K76 A77 N78 Y82 R179	D55-W84 HydrophobicContact CB-CH2 4.44Å; D55-W84 HydrophobicContact CB-CZ2 3.97Å; R74-W84 HydrophobicContact CB-CH2 3.64Å; R74-W84 HydrophobicContact CB-CZ3 3.7Å; R74-W84 WeakPolarHBondContact O-CH2 3.36Å; R74-W84 VanDerWaalsContact O-CZ3 3.23Å; R74-W84 WeakPolarHBondContact O-CZ3 3.49Å; E75-W84 WeakPolarHBondContact O-CZ3 3.28Å; K76-W84 HydrophobicContact CB-CE3 4.02Å; K76-W84 HydrophobicContact CB-CZ3 4.3Å; K76-W84 HydrophobicContact CG-CB 4.21Å; K76-W84 HydrophobicContact CG-CD2 4.49Å; K76-W84 HydrophobicContact CG-CE3 4.05Å; A77-W84 PolarHBondContact N-O 3.38Å; N78-W84 PolarHBondContact N-O 3.39Å; N78-W84 PolarHBondContact ND2-O 2.99Å; Y82-W84 PolarHBondContact O-N 3.14Å; W84-R179 VanDerWaalsContact NE1-NH2 3.18Å
85	S	93.4	Very high	94.9	Very high	22 Å²	22	61.8 Å²	61.8	15%	0.154	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.9	177	70.8	0	0	0	0	113.4	R74 E75 D83 V87	R74-S85 PolarHBondContact NH1-OG 3.44Å; E75-S85 WeakPolarHBondContact O-CA 3.46Å; D83-S85 PolarHBondContact O-N 3.1Å; D83-S85 WeakPolarHBondContact OD1-CA 3.45Å; D83-S85 WeakPolarHBondContact OD1-CB 3.28Å; D83-S85 PolarHBondContact OD1-N 3.39Å; D83-S85 PolarHBondContact OD1-OG 3.02Å; S85-V87 PolarHBondContact O-N 2.84Å; S85-V87 VanDerWaalsContact O-N 3.12Å
86	D	94.3	Very high	95.1	Very high	29 Å²	29	54.1 Å²	54.1	16%	0.155	29%	0.291	C	S	.	.			trans	-64	111.1	174.7	-177.6	2.3	0	0	0	111	N78 D83 D88 G89 K92	N78-D86 PolarHBondContact ND2-O 2.85Å; D83-D86 HydrophobicContact CB-CB 4.3Å; D83-D86 WeakPolarHBondContact O-CB 3.19Å; D83-D86 PolarHBondContact O-N 2.88Å; D83-D86 PolarHBondContact OD1-N 2.94Å; D86-D88 PolarHBondContact O-N 3.43Å; D86-D88 PolarHBondContact OD1-N 2.86Å; D86-D88 VanDerWaalsContact OD1-N 3.07Å; D86-G89 PolarHBondContact O-N 2.94Å; D86-G89 PolarHBondContact OD1-N 2.76Å; D86-K92 IonicContact OD1-NZ 2.91Å; D86-K92 WeakPolarHBondContact OD2-CE 3.34Å; D86-K92 IonicContact OD2-NZ 2.85Å; D86-K92 PolarHBondContact OD2-NZ 3.29Å
87	V	95	Very high	95.1	Very high	110 Å²	110	48.5 Å²	48.5	67%	0.667	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.6	-178.5	-64.6	0	0	0	0	113	A77 S85 G89	A77-V87 HydrophobicContact CB-CG1 4.2Å; S85-V87 PolarHBondContact O-N 2.84Å; S85-V87 VanDerWaalsContact O-N 3.12Å; V87-G89 VanDerWaalsContact C-N 3.33Å
88	D	96	Very high	95.1	Very high	90 Å²	90	46.2 Å²	46.2	48%	0.481	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	2.4	176.7	-64.3	-38.7	0	0	0	111.8	D86 S90 L91	D86-D88 PolarHBondContact O-N 3.43Å; D86-D88 PolarHBondContact OD1-N 2.86Å; D86-D88 VanDerWaalsContact OD1-N 3.07Å; D88-S90 PolarHBondContact O-N 2.89Å; D88-S90 VanDerWaalsContact O-N 3.1Å; D88-L91 WeakPolarHBondContact O-CB 3.32Å; D88-L91 PolarHBondContact O-N 2.87Å
89	G	94.4	Very high	95	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-60.2	-27.4	-172.5	0	0	0	0	0	113.8	N80 R81 D86 V87 L91 K92	N80-G89 PolarHBondContact ND2-O 3.47Å; R81-G89 VanDerWaalsContact CG-O 3.31Å; R81-G89 WeakPolarHBondContact CG-O 3.28Å; D86-G89 PolarHBondContact O-N 2.94Å; D86-G89 PolarHBondContact OD1-N 2.76Å; V87-G89 VanDerWaalsContact C-N 3.33Å; G89-L91 VanDerWaalsContact C-N 3.28Å; G89-L91 PolarHBondContact O-N 3.41Å; G89-K92 PolarHBondContact O-N 3.01Å
90	S	93.7	Very high	95.1	Very high	82 Å²	82	49.5 Å²	49.5	57%	0.573	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.4	175.3	64.8	0	0	0	0	114.4	D88	D88-S90 PolarHBondContact O-N 2.89Å; D88-S90 VanDerWaalsContact O-N 3.1Å
91	L	95.5	Very high	95.1	Very high	143 Å²	143	49.7 Å²	49.7	75%	0.749	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-90.1	-14.3	177.2	-57.4	176.9	0	0	0	112.6	D88 G89	D88-L91 WeakPolarHBondContact O-CB 3.32Å; D88-L91 PolarHBondContact O-N 2.87Å; G89-L91 VanDerWaalsContact C-N 3.28Å; G89-L91 PolarHBondContact O-N 3.41Å
92	K	96.1	Very high	95.1	Very high	92 Å²	92	49 Å²	49	40%	0.4	26%	0.26	S	S	.	.	S	Bend	trans	-86.6	163	180	-64.4	178.7	-176.3	171.3	0	110.9	N80 D86 G89	N80-K92 PolarHBondContact ND2-O 2.75Å; D86-K92 IonicContact OD1-NZ 2.91Å; D86-K92 WeakPolarHBondContact OD2-CE 3.34Å; D86-K92 IonicContact OD2-NZ 2.85Å; D86-K92 PolarHBondContact OD2-NZ 3.29Å; G89-K92 PolarHBondContact O-N 3.01Å
93	P	95.8	Very high	95.2	Very high	69 Å²	69	50.8 Å²	50.8	45%	0.448	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-54.5	157.2	174.4	-28.4	38.6	0	0	0	112.7	N80 R81 E312	N80-P93 PolarHBondContact ND2-O 2.83Å; R81-P93 WeakPolarHBondContact CD-O 3.4Å; R81-P93 PolarHBondContact NH1-O 2.78Å; P93-E312 HydrophobicContact CB-CB 3.93Å; P93-E312 HydrophobicContact CB-CG 4.14Å; P93-E312 WeakPolarHBondContact CB-OE2 3.49Å; P93-E312 VanDerWaalsContact CG-OE2 3.31Å; P93-E312 WeakPolarHBondContact CG-OE2 3.31Å
94	L	96.3	Very high	95.3	Very high	37 Å²	37	52.4 Å²	52.4	19%	0.194	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-79.6	129.7	-179.2	173.6	66.7	0	0	0	110.5	N80 S98 Q100 F101 K104 E312	N80-L94 HydrophobicContact CB-CD1 4.47Å; N80-L94 WeakPolarHBondContact OD1-CA 3.44Å; N80-L94 VanDerWaalsContact OD1-CB 3.28Å; N80-L94 WeakPolarHBondContact OD1-CB 3.3Å; N80-L94 WeakPolarHBondContact OD1-CD1 3.39Å; L94-S98 WeakPolarHBondContact CD1-OG 3.46Å; L94-Q100 HydrophobicContact CD1-CB 4Å; L94-Q100 HydrophobicContact CD1-CG 4.27Å; L94-F101 HydrophobicContact CD1-CB 3.83Å; L94-F101 HydrophobicContact CD2-CB 4.03Å; L94-F101 HydrophobicContact CD2-CD2 4.18Å; L94-F101 HydrophobicContact CG-CB 3.93Å; L94-F101 HydrophobicContact CG-CD2 4.42Å; L94-K104 HydrophobicContact CD2-CD 3.71Å; L94-E312 WeakPolarHBondContact O-CA 3.44Å
95	Q	97.7	Very high	95.5	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.079	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-89.5	136.5	175.2	-65.1	-174	-78.1	0	0	111.9	N80 R81 Y82 S98 F101 S311 E312	N80-Q95 PolarHBondContact O-N 3.26Å; R81-Q95 VanDerWaalsContact CA-OE1 3.27Å; R81-Q95 VanDerWaalsContact CZ-CD 3.48Å; Y82-Q95 HydrophobicContact CD1-CB 4.13Å; Y82-Q95 HydrophobicContact CE1-CB 3.79Å; Y82-Q95 HydrophobicContact CE2-CB 4.4Å; Y82-Q95 VanDerWaalsContact CE2-NE2 3.3Å; Q95-S98 VanDerWaalsContact O-CB 3.28Å; Q95-S98 WeakPolarHBondContact O-CB 3.3Å; Q95-S98 PolarHBondContact O-N 3.01Å; Q95-S98 PolarHBondContact O-OG 3.17Å; Q95-F101 WeakPolarHBondContact O-CB 3.39Å; Q95-S311 CarbonylContact C-O 3.48Å; Q95-S311 WeakPolarHBondContact CA-O 3.48Å; Q95-S311 PolarHBondContact NE2-OG 2.84Å; Q95-S311 VanDerWaalsContact NE2-OG 3.15Å; Q95-E312 HydrophobicContact CG-CG 4.09Å
96	T	96.6	Very high	95.5	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	149.6	172.7	55.8	0	0	0	0	110.3	Y82 S98 F101 D267 S311	Y82-T96 WeakPolarHBondContact CE1-O 3.29Å; Y82-T96 PolarHBondContact OH-O 2.88Å; Y82-T96 VanDerWaalsContact OH-O 3.1Å; Y82-T96 PolarHBondContact OH-OG1 2.71Å; T96-S98 PolarHBondContact O-N 2.71Å; T96-F101 HydrophobicContact CG2-CD2 4.28Å; T96-F101 HydrophobicContact CG2-CE2 3.78Å; T96-F101 HydrophobicContact CG2-CZ 3.98Å; T96-D267 WeakPolarHBondContact CB-OD2 3.5Å; T96-D267 WeakPolarHBondContact CG2-OD2 3.16Å; T96-D267 PolarHBondContact OG1-OD2 2.98Å; T96-S311 PolarHBondContact N-O 3.05Å; T96-S311 PolarHBondContact OG1-O 3.18Å
97	G	94.3	Very high	95.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-12.6	-175.8	0	0	0	0	0	117	Y265	G97-Y265 VanDerWaalsContact CA-CD1 3.49Å
98	S	95.2	Very high	95.4	Very high	1 Å²	1	61 Å²	61	1%	0.007	30%	0.299	C	S	.	.	S	Bend	trans	-65.2	157.8	171.6	70.7	0	0	0	0	112.3	N80 L94 Q95 T96 Q100 F101 I102	N80-S98 PolarHBondContact O-OG 3.37Å; L94-S98 WeakPolarHBondContact CD1-OG 3.46Å; Q95-S98 VanDerWaalsContact O-CB 3.28Å; Q95-S98 WeakPolarHBondContact O-CB 3.3Å; Q95-S98 PolarHBondContact O-N 3.01Å; Q95-S98 PolarHBondContact O-OG 3.17Å; T96-S98 PolarHBondContact O-N 2.71Å; S98-Q100 VanDerWaalsContact C-N 3.33Å; S98-Q100 PolarHBondContact O-N 3.07Å; S98-F101 WeakPolarHBondContact O-CA 3.12Å; S98-F101 WeakPolarHBondContact O-CB 3.42Å; S98-F101 PolarHBondContact O-N 3.05Å; S98-F101 VanDerWaalsContact OG-CB 3.31Å; S98-F101 WeakPolarHBondContact OG-CB 3.31Å; S98-F101 PolarHBondContact OG-N 3.14Å; S98-I102 WeakPolarHBondContact O-CG1 3.35Å; S98-I102 PolarHBondContact O-N 2.8Å
99	Q	93.4	Very high	95.1	Very high	74 Å²	74	64.6 Å²	64.6	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-57.7	-44.8	-177.9	-178.2	180	-7.4	0	0	112.2	N79 F101 I102 E103	N79-Q99 HydrophobicContact CB-CB 4.25Å; N79-Q99 PolarHBondContact O-N 3.07Å; N79-Q99 PolarHBondContact OD1-OE1 3.42Å; Q99-F101 VanDerWaalsContact C-N 3.26Å; Q99-F101 PolarHBondContact O-N 3.22Å; Q99-I102 PolarHBondContact O-N 2.82Å; Q99-E103 WeakPolarHBondContact O-CG 3.45Å; Q99-E103 PolarHBondContact O-N 3.38Å; Q99-E103 VanDerWaalsContact O-N 3.13Å
100	Q	95.5	Very high	94.9	Very high	67 Å²	67	66.9 Å²	66.9	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-30.3	178	-172.8	173.2	29.9	0	0	112	N79 N80 L94 S98 K104	N79-Q100 HydrophobicContact CB-CB 4.1Å; N79-Q100 VanDerWaalsContact O-CB 3.25Å; N79-Q100 WeakPolarHBondContact O-CB 3.41Å; N79-Q100 PolarHBondContact O-N 2.76Å; N80-Q100 PolarHBondContact OD1-OE1 3.37Å; L94-Q100 HydrophobicContact CD1-CB 4Å; L94-Q100 HydrophobicContact CD1-CG 4.27Å; S98-Q100 VanDerWaalsContact C-N 3.33Å; S98-Q100 PolarHBondContact O-N 3.07Å; Q100-K104 WeakPolarHBondContact O-CG 3.35Å; Q100-K104 PolarHBondContact O-N 3.04Å
101	F	97	Very high	94.3	Very high	12 Å²	12	65.2 Å²	65.2	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-46.1	175.6	167.8	-91.5	0	0	0	111.1	L94 Q95 T96 S98 Q99 E103 K104 L105 Y265 F314	L94-F101 HydrophobicContact CD1-CB 3.83Å; L94-F101 HydrophobicContact CD2-CB 4.03Å; L94-F101 HydrophobicContact CD2-CD2 4.18Å; L94-F101 HydrophobicContact CG-CB 3.93Å; L94-F101 HydrophobicContact CG-CD2 4.42Å; Q95-F101 WeakPolarHBondContact O-CB 3.39Å; T96-F101 HydrophobicContact CG2-CD2 4.28Å; T96-F101 HydrophobicContact CG2-CE2 3.78Å; T96-F101 HydrophobicContact CG2-CZ 3.98Å; S98-F101 WeakPolarHBondContact O-CA 3.12Å; S98-F101 WeakPolarHBondContact O-CB 3.42Å; S98-F101 PolarHBondContact O-N 3.05Å; S98-F101 VanDerWaalsContact OG-CB 3.31Å; S98-F101 WeakPolarHBondContact OG-CB 3.31Å; S98-F101 PolarHBondContact OG-N 3.14Å; Q99-F101 VanDerWaalsContact C-N 3.26Å; Q99-F101 PolarHBondContact O-N 3.22Å; F101-E103 VanDerWaalsContact C-N 3.33Å; F101-E103 PolarHBondContact O-N 2.98Å; F101-K104 CarbonylContact O-C 3.59Å; F101-K104 PolarHBondContact O-N 3.34Å; F101-L105 HydrophobicContact CE1-CB 4.3Å; F101-L105 HydrophobicContact CE1-CD2 3.81Å; F101-L105 HydrophobicContact CZ-CB 4.44Å; F101-L105 HydrophobicContact CZ-CD2 4.15Å; F101-L105 WeakPolarHBondContact O-CB 3.47Å; F101-L105 PolarHBondContact O-N 3.36Å; F101-Y265 HydrophobicContact CE1-CD1 4.11Å; F101-Y265 HydrophobicContact CE1-CD2 4.33Å; F101-Y265 AromaticContact CE1-CE1 3.68Å; F101-Y265 HydrophobicContact CE1-CE1 3.68Å; F101-Y265 AromaticContact CE1-CE2 3.96Å; F101-Y265 HydrophobicContact CE1-CE2 3.96Å; F101-Y265 HydrophobicContact CE1-CG 4.39Å; F101-Y265 AromaticContact CE1-CZ 3.59Å; F101-Y265 HydrophobicContact CZ-CE1 4.22Å; F101-Y265 HydrophobicContact CZ-CE2 4.41Å; F101-Y265 AromaticContact CZ-CZ 3.87Å; F101-F314 HydrophobicContact CE2-CB 4.21Å; F101-F314 AromaticContact CE2-CD2 3.61Å; F101-F314 HydrophobicContact CE2-CD2 3.61Å; F101-F314 HydrophobicContact CE2-CE2 4.29Å; F101-F314 HydrophobicContact CE2-CG 4.17Å; F101-F314 AromaticContact CZ-CD2 3.44Å; F101-F314 HydrophobicContact CZ-CD2 3.44Å; F101-F314 VanDerWaalsContact CZ-CD2 3.44Å; F101-F314 AromaticContact CZ-CE2 3.74Å; F101-F314 HydrophobicContact CZ-CE2 3.74Å; F101-F314 HydrophobicContact CZ-CG 4.42Å
102	I	96.4	Very high	93.3	Very high	15 Å²	15	65.8 Å²	65.8	8%	0.077	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-44.2	177.2	-59.7	-56	0	0	0	111.2	S98 Q99 K104 L105 M106 Y265 Y344	S98-I102 WeakPolarHBondContact O-CG1 3.35Å; S98-I102 PolarHBondContact O-N 2.8Å; Q99-I102 PolarHBondContact O-N 2.82Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-L105 HydrophobicContact CD1-CD2 4.45Å; I102-L105 PolarHBondContact O-N 2.93Å; I102-M106 HydrophobicContact CG2-CG 4.29Å; I102-M106 HydrophobicContact CG2-SD 4.08Å; I102-M106 VanDerWaalsContact O-CG 3.3Å; I102-M106 WeakPolarHBondContact O-CG 3.4Å; I102-M106 PolarHBondContact O-N 2.9Å; I102-Y265 VanDerWaalsContact CD1-CB 3.43Å; I102-Y265 HydrophobicContact CD1-CD1 4.39Å; I102-Y265 HydrophobicContact CD1-CD2 4.07Å; I102-Y265 HydrophobicContact CD1-CG 3.72Å; I102-Y344 HydrophobicContact CD1-CD2 4.3Å; I102-Y344 HydrophobicContact CG2-CD2 4.22Å; I102-Y344 HydrophobicContact CG2-CE2 3.48Å; I102-Y344 VanDerWaalsContact CG2-CE2 3.48Å
103	E	95.4	Very high	92.7	Very high	86 Å²	86	64 Å²	64	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-31.5	176.1	-72	173.4	-166.5	0	0	113.5	Q99 F101 K107	Q99-E103 WeakPolarHBondContact O-CG 3.45Å; Q99-E103 PolarHBondContact O-N 3.38Å; Q99-E103 VanDerWaalsContact O-N 3.13Å; F101-E103 VanDerWaalsContact C-N 3.33Å; F101-E103 PolarHBondContact O-N 2.98Å; E103-K107 WeakPolarHBondContact O-CD 3.48Å; E103-K107 WeakPolarHBondContact O-CE 3.28Å; E103-K107 WeakPolarHBondContact O-CG 3.37Å
104	K	96.5	Very high	91.7	Very high	108 Å²	108	67.5 Å²	67.5	47%	0.47	32%	0.319	S	S	.	.	H	α-helix	trans	-81.4	-43.7	174.9	-72	-176.1	-173.6	177.8	0	111.9	L94 Q100 F101 I102 M106 K107 R108	L94-K104 HydrophobicContact CD2-CD 3.71Å; Q100-K104 WeakPolarHBondContact O-CG 3.35Å; Q100-K104 PolarHBondContact O-N 3.04Å; F101-K104 CarbonylContact O-C 3.59Å; F101-K104 PolarHBondContact O-N 3.34Å; I102-K104 PolarHBondContact O-N 2.8Å; K104-M106 VanDerWaalsContact C-N 3.29Å; K104-M106 PolarHBondContact O-N 3.47Å; K104-K107 PolarHBondContact O-N 2.6Å; K104-R108 PolarHBondContact O-N 3Å
105	L	96.5	Very high	91.1	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-43.7	179.1	179.4	64	0	0	0	111.1	F101 I102 K107 R108 F110 Y265 Y289 F314	F101-L105 HydrophobicContact CE1-CB 4.3Å; F101-L105 HydrophobicContact CE1-CD2 3.81Å; F101-L105 HydrophobicContact CZ-CB 4.44Å; F101-L105 HydrophobicContact CZ-CD2 4.15Å; F101-L105 WeakPolarHBondContact O-CB 3.47Å; F101-L105 PolarHBondContact O-N 3.36Å; I102-L105 HydrophobicContact CD1-CD2 4.45Å; I102-L105 PolarHBondContact O-N 2.93Å; L105-K107 PolarHBondContact O-N 2.93Å; L105-K107 VanDerWaalsContact O-N 3.14Å; L105-R108 WeakPolarHBondContact O-CB 3.14Å; L105-R108 PolarHBondContact O-N 3.07Å; L105-R108 VanDerWaalsContact O-N 3.1Å; L105-F110 HydrophobicContact CD1-CE2 4.13Å; L105-F110 HydrophobicContact CD1-CZ 3.79Å; L105-Y265 HydrophobicContact CD2-CD2 3.89Å; L105-Y265 HydrophobicContact CD2-CE2 3.67Å; L105-Y289 HydrophobicContact CD1-CE1 4.18Å; L105-Y289 HydrophobicContact CD1-CE2 4.25Å; L105-Y289 HydrophobicContact CD2-CE2 3.82Å; L105-Y289 HydrophobicContact CG-CE2 4.29Å; L105-Y289 WeakPolarHBondContact CG-OH 3.03Å; L105-F314 HydrophobicContact CD1-CE2 3.84Å; L105-F314 HydrophobicContact CD1-CZ 3.69Å
106	M	93.4	Very high	90.8	Very high	115 Å²	115	69.7 Å²	69.7	57%	0.567	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.4	177.8	-70.2	-179.2	72	0	0	114.5	I102 K104 Y344	I102-M106 HydrophobicContact CG2-CG 4.29Å; I102-M106 HydrophobicContact CG2-SD 4.08Å; I102-M106 VanDerWaalsContact O-CG 3.3Å; I102-M106 WeakPolarHBondContact O-CG 3.4Å; I102-M106 PolarHBondContact O-N 2.9Å; K104-M106 VanDerWaalsContact C-N 3.29Å; K104-M106 PolarHBondContact O-N 3.47Å; M106-Y344 HydrophobicContact CE-CE1 4.29Å; M106-Y344 HydrophobicContact CG-CE1 3.89Å; M106-Y344 HydrophobicContact SD-CE1 4.08Å; M106-Y344 PolarHBondContact SD-OH 2.95Å
107	K	94.6	Very high	90.7	Very high	165 Å²	165	69.8 Å²	69.8	72%	0.717	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.1	178.3	-64.5	172.1	-173.5	166.2	0	112.5	E103 K104 L105	E103-K107 WeakPolarHBondContact O-CD 3.48Å; E103-K107 WeakPolarHBondContact O-CE 3.28Å; E103-K107 WeakPolarHBondContact O-CG 3.37Å; K104-K107 PolarHBondContact O-N 2.6Å; L105-K107 PolarHBondContact O-N 2.93Å; L105-K107 VanDerWaalsContact O-N 3.14Å
108	R	93.8	Very high	90.8	Very high	102 Å²	102	71.3 Å²	71.3	39%	0.385	35%	0.347	S	S	.	.			trans	-79.6	136.7	178.3	-74.9	-171.2	140.8	164.5	-5.9	110.1	K104 L105 F110 D317	K104-R108 PolarHBondContact O-N 3Å; L105-R108 WeakPolarHBondContact O-CB 3.14Å; L105-R108 PolarHBondContact O-N 3.07Å; L105-R108 VanDerWaalsContact O-N 3.1Å; R108-F110 HydrophobicContact CB-CD2 4.18Å; R108-F110 HydrophobicContact CB-CE2 3.53Å; R108-F110 HydrophobicContact CB-CZ 4.06Å; R108-D317 IonicContact CZ-OD1 2.7Å; R108-D317 IonicContact CZ-OD2 3.1Å; R108-D317 VanDerWaalsContact CZ-OD2 3.24Å; R108-D317 IonicContact NH1-OD1 3.95Å; R108-D317 PolarHBondContact NH1-OD1 3.42Å; R108-D317 VanDerWaalsContact NH1-OD1 3.15Å; R108-D317 IonicContact NH1-OD2 3.46Å; R108-D317 PolarHBondContact NH1-OD2 2.74Å; R108-D317 IonicContact NH2-OD1 3.31Å; R108-D317 PolarHBondContact NH2-OD1 3.34Å; R108-D317 IonicContact NH2-OD2 3.98Å; R108-D317 PolarHBondContact NH2-OD2 2.98Å
109	D	89.8	Confident	90.8	Very high	166 Å²	166	74.3 Å²	74.3	89%	0.888	37%	0.366	S	S	*	.			trans	-87.7	125.7	166.9	-63	-44.9	0	0	0	108.5
110	F	89.8	Confident	90.9	Very high	49 Å²	49	72 Å²	72	22%	0.215	36%	0.355	C	S	.	.			trans	-107.5	155.4	172.9	-68.2	-93.6	0	0	0	109	L105 R108 Y289 F314 C322	L105-F110 HydrophobicContact CD1-CE2 4.13Å; L105-F110 HydrophobicContact CD1-CZ 3.79Å; R108-F110 HydrophobicContact CB-CD2 4.18Å; R108-F110 HydrophobicContact CB-CE2 3.53Å; R108-F110 HydrophobicContact CB-CZ 4.06Å; F110-Y289 HydrophobicContact CD1-CD1 4.06Å; F110-Y289 HydrophobicContact CD1-CE1 4.45Å; F110-Y289 HydrophobicContact CD2-CD1 4.18Å; F110-Y289 AromaticContact CD2-CE1 3.76Å; F110-Y289 HydrophobicContact CD2-CE1 3.76Å; F110-Y289 AromaticContact CE1-CD1 3.69Å; F110-Y289 HydrophobicContact CE1-CD1 3.69Å; F110-Y289 HydrophobicContact CE1-CE1 4.05Å; F110-Y289 AromaticContact CE2-CD1 3.83Å; F110-Y289 HydrophobicContact CE2-CD1 3.83Å; F110-Y289 AromaticContact CE2-CE1 3.29Å; F110-Y289 HydrophobicContact CE2-CE1 3.29Å; F110-Y289 HydrophobicContact CG-CD1 4.29Å; F110-Y289 HydrophobicContact CG-CE1 4.33Å; F110-Y289 AromaticContact CZ-CD1 3.56Å; F110-Y289 HydrophobicContact CZ-CD1 3.56Å; F110-Y289 AromaticContact CZ-CE1 3.45Å; F110-Y289 HydrophobicContact CZ-CE1 3.45Å; F110-Y289 VanDerWaalsContact CZ-CE1 3.45Å; F110-F314 HydrophobicContact CE1-CE1 4.14Å; F110-F314 HydrophobicContact CE1-CZ 4.21Å; F110-F314 HydrophobicContact CZ-CE1 4.15Å; F110-F314 HydrophobicContact CZ-CZ 4Å; F110-C322 HydrophobicContact CD1-CB 4.45Å
111	S	80.9	Confident	91	Very high	47 Å²	47	74.5 Å²	74.5	33%	0.329	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-63.5	150.3	175.5	41.8	0	0	0	0	111.9	F113 H321 C322	S111-F113 PolarHBondContact O-N 2.82Å; S111-H321 PolarHBondContact OG-CE1 3.38Å; S111-H321 PolarHBondContact OG-ND1 2.85Å; S111-C322 PolarHBondContact OG-O 3.45Å
112	E	75.3	Confident	91.1	Very high	154 Å²	154	75.8 Å²	75.8	72%	0.72	37%	0.374	S	S	*	.			trans	-59.5	133.8	174.6	-73.7	-179.2	166.7	0	0	111	E114	E112-E114 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 3.3Å
113	F	82	Confident	91.1	Very high	56 Å²	56	75.1 Å²	75.1	25%	0.246	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-79.2	-4.1	-174.1	63.7	-97.2	0	0	0	114.1	S111 S115 D116 V117 V119 S324 V325	S111-F113 PolarHBondContact O-N 2.82Å; F113-S115 PolarHBondContact O-N 3.33Å; F113-S115 VanDerWaalsContact O-N 3.16Å; F113-D116 PolarHBondContact O-N 3.4Å; F113-V117 HydrophobicContact CB-CG2 4.06Å; F113-V117 HydrophobicContact CD2-CB 3.87Å; F113-V117 HydrophobicContact CD2-CG1 4.48Å; F113-V117 HydrophobicContact CD2-CG2 4.07Å; F113-V117 HydrophobicContact CG-CG2 4.46Å; F113-V117 PolarHBondContact O-N 2.89Å; F113-V119 HydrophobicContact CE2-CG2 3.81Å; F113-S324 VanDerWaalsContact CD1-O 3.23Å; F113-S324 WeakPolarHBondContact CD1-O 3.49Å; F113-V325 HydrophobicContact CB-CB 4.38Å; F113-V325 HydrophobicContact CD1-CB 4.24Å; F113-V325 HydrophobicContact CD1-CG2 4.26Å; F113-V325 HydrophobicContact CD2-CG2 4.25Å; F113-V325 HydrophobicContact CE1-CG2 4.33Å; F113-V325 HydrophobicContact CE2-CG2 4.31Å; F113-V325 HydrophobicContact CG-CB 4.15Å; F113-V325 HydrophobicContact CG-CG2 4.21Å; F113-V325 HydrophobicContact CZ-CG2 4.34Å
114	E	75.9	Confident	91.1	Very high	141 Å²	141	78.1 Å²	78.1	66%	0.659	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61.1	-29.1	-169.4	-65.3	-171.1	165	0	0	113.1	E112 D116 R138	E112-E114 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 3.3Å; E114-D116 VanDerWaalsContact C-N 3.35Å; E114-R138 PolarHBondContact O-NH2 2.85Å
115	S	82.9	Confident	90.8	Very high	80 Å²	80	80.5 Å²	80.5	56%	0.559	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-74.6	-24.5	174.7	55.4	0	0	0	0	113.7	F113 R138	F113-S115 PolarHBondContact O-N 3.33Å; F113-S115 VanDerWaalsContact O-N 3.16Å; S115-R138 VanDerWaalsContact C-NH2 3.27Å; S115-R138 PolarHBondContact O-NE 3.35Å; S115-R138 PolarHBondContact O-NH2 2.83Å
116	D	90.8	Very high	90.7	Very high	21 Å²	21	81.2 Å²	81.2	11%	0.112	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-31.9	-171.5	-73.5	-19.2	0	0	0	112.6	F113 E114 R138 H321 S323 W339	F113-D116 PolarHBondContact O-N 3.4Å; E114-D116 VanDerWaalsContact C-N 3.35Å; D116-R138 WeakPolarHBondContact O-CB 3.38Å; D116-R138 WeakPolarHBondContact O-CG 3.37Å; D116-R138 PolarHBondContact O-NE 2.82Å; D116-H321 IonicContact OD2-CD2 2.68Å; D116-H321 PolarHBondContact OD2-CD2 3.27Å; D116-H321 IonicContact OD2-NE2 2.69Å; D116-H321 PolarHBondContact OD2-NE2 3.17Å; D116-H321 VanDerWaalsContact OD2-NE2 3.12Å; D116-S323 WeakPolarHBondContact OD2-CB 3.15Å; D116-S323 PolarHBondContact OD2-OG 2.99Å; D116-W339 HydrophobicContact CB-CH2 4.01Å; D116-W339 HydrophobicContact CB-CZ3 4.39Å
117	V	95.9	Very high	90.6	Very high	3 Å²	3	76.6 Å²	76.6	2%	0.018	38%	0.381	C	S	.	.			trans	-111.8	133.3	-174.4	-176.8	0	0	0	0	110.4	F113 R138 P139 L141 L290	F113-V117 HydrophobicContact CB-CG2 4.06Å; F113-V117 HydrophobicContact CD2-CB 3.87Å; F113-V117 HydrophobicContact CD2-CG1 4.48Å; F113-V117 HydrophobicContact CD2-CG2 4.07Å; F113-V117 HydrophobicContact CG-CG2 4.46Å; F113-V117 PolarHBondContact O-N 2.89Å; V117-R138 VanDerWaalsContact C-NH2 3.26Å; V117-R138 PolarHBondContact O-NH2 2.88Å; V117-P139 CarbonylContact C-O 3.57Å; V117-P139 WeakPolarHBondContact CA-O 3.43Å; V117-P139 HydrophobicContact CG1-CB 4.31Å; V117-P139 WeakPolarHBondContact CG1-O 3.43Å; V117-P139 HydrophobicContact CG2-CB 4.25Å; V117-L141 HydrophobicContact CG1-CB 3.8Å; V117-L290 HydrophobicContact CG2-CD1 3.93Å
118	V	95.6	Very high	90.6	Very high	33 Å²	33	72.6 Å²	72.6	20%	0.2	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.9	169.8	179.3	0	0	0	0	107.9	M120 R138 P139 I140 L141	V118-M120 HydrophobicContact CG1-CG 4.18Å; V118-R138 HydrophobicContact CG2-CB 4.23Å; V118-P139 PolarHBondContact N-O 3.45Å; V118-I140 HydrophobicContact CB-CG1 4.31Å; V118-I140 HydrophobicContact CB-CG2 4.4Å; V118-I140 HydrophobicContact CG1-CG2 4.44Å; V118-I140 CarbonylContact O-C 3.51Å; V118-I140 WeakPolarHBondContact O-CA 3.4Å; V118-L141 PolarHBondContact O-N 2.84Å
119	V	95.6	Very high	90.5	Very high	64 Å²	64	70.9 Å²	70.9	39%	0.388	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	178.3	-175.6	0	0	0	0	109.5	F113 L141 K143	F113-V119 HydrophobicContact CE2-CG2 3.81Å; V119-L141 WeakPolarHBondContact CA-O 3.49Å; V119-K143 HydrophobicContact CG1-CD 4.43Å; V119-K143 HydrophobicContact CG1-CG 4.23Å
120	M	96.2	Very high	90.7	Very high	25 Å²	25	64.4 Å²	64.4	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.5	176.5	-57.9	-171.6	82.4	0	0	109.9	V118 E125 F126 I140 L141 F142 K143	V118-M120 HydrophobicContact CG1-CG 4.18Å; M120-E125 HydrophobicContact CE-CB 4.17Å; M120-F126 HydrophobicContact CE-CB 4.06Å; M120-F126 HydrophobicContact CE-CD2 4.18Å; M120-F126 HydrophobicContact SD-CB 4.16Å; M120-F126 HydrophobicContact SD-CD2 3.63Å; M120-F126 HydrophobicContact SD-CE2 4.42Å; M120-F126 HydrophobicContact SD-CG 4.18Å; M120-I140 HydrophobicContact CG-CG2 4.07Å; M120-I140 HydrophobicContact SD-CG2 3.84Å; M120-L141 PolarHBondContact N-O 2.93Å; M120-F142 HydrophobicContact CB-CD1 3.83Å; M120-F142 HydrophobicContact CB-CE1 4Å; M120-F142 HydrophobicContact CG-CE1 4.3Å; M120-F142 WeakPolarHBondContact O-CA 3.3Å; M120-F142 HydrophobicContact SD-CD1 4.45Å; M120-F142 HydrophobicContact SD-CE1 3.65Å; M120-F142 HydrophobicContact SD-CZ 4.13Å; M120-K143 PolarHBondContact O-N 2.95Å
121	E	97.6	Very high	90.8	Very high	119 Å²	119	63 Å²	63	56%	0.556	33%	0.328	S	S	*	.	S	Bend	trans	-67.7	-45.5	177.3	-68.6	-59.5	139.9	0	0	111.3	K143 S144	E121-K143 PolarHBondContact O-N 3.18Å; E121-K143 WeakPolarHBondContact OE1-CE 3.16Å; E121-K143 IonicContact OE1-NZ 3.12Å; E121-K143 PolarHBondContact OE1-NZ 3.15Å; E121-K143 WeakPolarHBondContact OE2-CD 3.3Å; E121-K143 IonicContact OE2-NZ 3.14Å; E121-S144 WeakPolarHBondContact O-CB 3.16Å; E121-S144 PolarHBondContact O-N 2.87Å
122	N	97.6	Very high	91.2	Very high	39 Å²	39	68.4 Å²	68.4	21%	0.209	35%	0.348	C	S	.	.	S	Bend	trans	-159.2	-174.4	179.5	63.1	32.4	0	0	0	109.9	F124 E146	N122-F124 VanDerWaalsContact C-N 3.31Å; N122-F124 PolarHBondContact O-N 3.44Å; N122-F124 WeakPolarHBondContact OD1-CB 3.24Å; N122-F124 PolarHBondContact OD1-N 2.85Å; N122-E146 HydrophobicContact CB-CB 4.16Å; N122-E146 WeakPolarHBondContact CB-O 3.39Å
123	G	96.9	Very high	91.9	Very high	2 Å²	2	69.2 Å²	69.2	2%	0.021	35%	0.349	C	S	.	.	S	Bend	trans	-78.9	-0.3	-177.9	0	0	0	0	0	116.1	E125 F126 E146 H147	G123-E125 VanDerWaalsContact C-N 3.28Å; G123-E125 PolarHBondContact O-N 2.88Å; G123-F126 PolarHBondContact O-N 3.16Å; G123-E146 PolarHBondContact N-O 3.32Å; G123-H147 CarbonylContact C-O 3.58Å; G123-H147 VanDerWaalsContact C-O 3.31Å; G123-H147 VanDerWaalsContact CA-O 3.29Å; G123-H147 WeakPolarHBondContact CA-O 3.33Å
124	F	96.2	Very high	92.5	Very high	148 Å²	148	70 Å²	70	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.7	-169.8	-176.1	-95.1	0	0	0	113.6	N122 H147	N122-F124 VanDerWaalsContact C-N 3.31Å; N122-F124 PolarHBondContact O-N 3.44Å; N122-F124 WeakPolarHBondContact OD1-CB 3.24Å; N122-F124 PolarHBondContact OD1-N 2.85Å; F124-H147 HydrophobicContact CB-CB 4.15Å
125	E	89.8	Confident	93.3	Very high	159 Å²	159	67.3 Å²	67.3	74%	0.743	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	8.7	177.8	-59.3	-172.8	158.4	0	0	112.7	M120 G123	M120-E125 HydrophobicContact CE-CB 4.17Å; G123-E125 VanDerWaalsContact C-N 3.28Å; G123-E125 PolarHBondContact O-N 2.88Å
126	F	93.6	Very high	93.9	Very high	18 Å²	18	63.7 Å²	63.7	8%	0.079	33%	0.326	C	S	.	.			trans	-112	119	-175.4	-164.5	-107.4	0	0	0	111.4	M120 G123 Y130 F131 I140 F142 L148 I224 L334	M120-F126 HydrophobicContact CE-CB 4.06Å; M120-F126 HydrophobicContact CE-CD2 4.18Å; M120-F126 HydrophobicContact SD-CB 4.16Å; M120-F126 HydrophobicContact SD-CD2 3.63Å; M120-F126 HydrophobicContact SD-CE2 4.42Å; M120-F126 HydrophobicContact SD-CG 4.18Å; G123-F126 PolarHBondContact O-N 3.16Å; F126-Y130 HydrophobicContact CD2-CD1 4.2Å; F126-Y130 AromaticContact CD2-CD2 3.92Å; F126-Y130 HydrophobicContact CD2-CD2 3.92Å; F126-Y130 HydrophobicContact CD2-CE2 4.39Å; F126-Y130 AromaticContact CD2-CG 3.82Å; F126-Y130 HydrophobicContact CD2-CG 3.82Å; F126-Y130 AromaticContact CE2-CD1 3.53Å; F126-Y130 HydrophobicContact CE2-CD1 3.53Å; F126-Y130 HydrophobicContact CE2-CD2 4.03Å; F126-Y130 AromaticContact CE2-CE1 3.83Å; F126-Y130 HydrophobicContact CE2-CE1 3.83Å; F126-Y130 HydrophobicContact CE2-CE2 4.29Å; F126-Y130 AromaticContact CE2-CG 3.64Å; F126-Y130 HydrophobicContact CE2-CG 3.64Å; F126-Y130 HydrophobicContact CZ-CD1 4.37Å; F126-F131 HydrophobicContact CZ-CE1 4.37Å; F126-F131 AromaticContact CZ-CZ 3.99Å; F126-F131 HydrophobicContact CZ-CZ 3.99Å; F126-I140 HydrophobicContact CE2-CD1 3.43Å; F126-I140 VanDerWaalsContact CE2-CD1 3.43Å; F126-I140 HydrophobicContact CZ-CD1 3.61Å; F126-F142 HydrophobicContact CB-CE1 3.78Å; F126-F142 HydrophobicContact CB-CZ 4.13Å; F126-F142 AromaticContact CD1-CE1 3.99Å; F126-F142 HydrophobicContact CD1-CE1 3.99Å; F126-F142 HydrophobicContact CD1-CE2 4.48Å; F126-F142 AromaticContact CD1-CZ 3.46Å; F126-F142 HydrophobicContact CD1-CZ 3.46Å; F126-F142 VanDerWaalsContact CD1-CZ 3.46Å; F126-F142 HydrophobicContact CD2-CE1 4.28Å; F126-F142 AromaticContact CD2-CZ 3.96Å; F126-F142 HydrophobicContact CD2-CZ 3.96Å; F126-F142 HydrophobicContact CE1-CE2 4.49Å; F126-F142 AromaticContact CE1-CZ 3.76Å; F126-F142 HydrophobicContact CE1-CZ 3.76Å; F126-F142 HydrophobicContact CE2-CZ 4.25Å; F126-F142 AromaticContact CG-CE1 3.75Å; F126-F142 HydrophobicContact CG-CE1 3.75Å; F126-F142 AromaticContact CG-CZ 3.57Å; F126-F142 HydrophobicContact CG-CZ 3.57Å; F126-F142 HydrophobicContact CZ-CZ 4.16Å; F126-L148 HydrophobicContact CD1-CD2 4.38Å; F126-I224 HydrophobicContact CD1-CB 4.36Å; F126-I224 HydrophobicContact CD1-CG1 4.33Å; F126-I224 HydrophobicContact CD1-CG2 3.98Å; F126-I224 HydrophobicContact CE1-CB 4.1Å; F126-I224 HydrophobicContact CE1-CG1 3.82Å; F126-I224 HydrophobicContact CE1-CG2 3.57Å; F126-L334 HydrophobicContact CE1-CD1 3.6Å; F126-L334 HydrophobicContact CZ-CD1 3.89Å
127	G	92	Very high	94.1	Very high	18 Å²	18	66 Å²	66	19%	0.186	34%	0.339	C	S	.	.	S	Bend	trans	-171.7	-169.6	179.4	0	0	0	0	0	110.7	S129 Y130	G127-S129 PolarHBondContact O-N 3.36Å; G127-S129 VanDerWaalsContact O-N 3.09Å; G127-Y130 WeakPolarHBondContact O-CB 3.37Å; G127-Y130 PolarHBondContact O-N 3.29Å
128	L	94.2	Very high	94.1	Very high	80 Å²	80	69.4 Å²	69.4	42%	0.419	35%	0.351	S	S	.	.	H	α-helix	trans	-54.9	-34	-177.8	-69.5	171.5	0	0	0	113.6	Y130 F131 I224 Q227 I228	L128-Y130 PolarHBondContact O-N 3.2Å; L128-F131 PolarHBondContact O-N 3.22Å; L128-F131 VanDerWaalsContact O-N 3.08Å; L128-I224 HydrophobicContact CD2-CD1 3.92Å; L128-I224 HydrophobicContact CG-CD1 4.14Å; L128-Q227 HydrophobicContact CD2-CB 4.36Å; L128-I228 HydrophobicContact CD2-CG2 3.74Å
129	S	92.9	Very high	94.2	Very high	66 Å²	66	67.9 Å²	67.9	46%	0.462	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-18.9	177.6	63.2	0	0	0	0	114	G127 F131 E132	G127-S129 PolarHBondContact O-N 3.36Å; G127-S129 VanDerWaalsContact O-N 3.09Å; S129-F131 VanDerWaalsContact C-N 3.3Å; S129-E132 PolarHBondContact O-N 3.07Å
130	Y	92.8	Very high	94.3	Very high	30 Å²	30	64.9 Å²	64.9	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-43.3	170.5	177.2	-91	0	0	0	110.4	F126 G127 L128 E132 K133 N134 I140	F126-Y130 HydrophobicContact CD2-CD1 4.2Å; F126-Y130 AromaticContact CD2-CD2 3.92Å; F126-Y130 HydrophobicContact CD2-CD2 3.92Å; F126-Y130 HydrophobicContact CD2-CE2 4.39Å; F126-Y130 AromaticContact CD2-CG 3.82Å; F126-Y130 HydrophobicContact CD2-CG 3.82Å; F126-Y130 AromaticContact CE2-CD1 3.53Å; F126-Y130 HydrophobicContact CE2-CD1 3.53Å; F126-Y130 HydrophobicContact CE2-CD2 4.03Å; F126-Y130 AromaticContact CE2-CE1 3.83Å; F126-Y130 HydrophobicContact CE2-CE1 3.83Å; F126-Y130 HydrophobicContact CE2-CE2 4.29Å; F126-Y130 AromaticContact CE2-CG 3.64Å; F126-Y130 HydrophobicContact CE2-CG 3.64Å; F126-Y130 HydrophobicContact CZ-CD1 4.37Å; G127-Y130 WeakPolarHBondContact O-CB 3.37Å; G127-Y130 PolarHBondContact O-N 3.29Å; L128-Y130 PolarHBondContact O-N 3.2Å; Y130-E132 VanDerWaalsContact C-N 3.27Å; Y130-E132 PolarHBondContact O-N 2.96Å; Y130-K133 PolarHBondContact O-N 3.22Å; Y130-K133 VanDerWaalsContact O-N 3.17Å; Y130-N134 HydrophobicContact CD1-CB 4.16Å; Y130-N134 HydrophobicContact CE1-CB 3.67Å; Y130-N134 HydrophobicContact CE2-CB 4.12Å; Y130-N134 WeakPolarHBondContact O-CB 2.94Å; Y130-N134 PolarHBondContact O-N 2.79Å; Y130-N134 PolarHBondContact O-ND2 3.41Å; Y130-N134 VanDerWaalsContact O-ND2 3.13Å; Y130-I140 HydrophobicContact CE1-CD1 3.95Å
131	F	91.2	Very high	94.4	Very high	20 Å²	20	64.2 Å²	64.2	9%	0.088	32%	0.321	C	S	.	.	H	α-helix	trans	-75.2	-13.1	-177.2	-57.3	-57	0	0	0	113.9	F126 L128 S129 K133 N134 F136 I224 I228 Y360	F126-F131 HydrophobicContact CZ-CE1 4.37Å; F126-F131 AromaticContact CZ-CZ 3.99Å; F126-F131 HydrophobicContact CZ-CZ 3.99Å; L128-F131 PolarHBondContact O-N 3.22Å; L128-F131 VanDerWaalsContact O-N 3.08Å; S129-F131 VanDerWaalsContact C-N 3.3Å; F131-K133 VanDerWaalsContact C-N 3.25Å; F131-N134 WeakPolarHBondContact CA-O 3.47Å; F131-F136 HydrophobicContact CD1-CB 4.03Å; F131-F136 HydrophobicContact CE1-CB 3.64Å; F131-F136 HydrophobicContact CE1-CD1 4.38Å; F131-F136 HydrophobicContact CE1-CD2 4.26Å; F131-F136 AromaticContact CE1-CG 3.84Å; F131-F136 HydrophobicContact CE1-CG 3.84Å; F131-F136 HydrophobicContact CZ-CG 4.48Å; F131-I224 HydrophobicContact CD2-CD1 4.27Å; F131-I224 HydrophobicContact CE2-CD1 3.58Å; F131-I224 HydrophobicContact CE2-CG1 3.63Å; F131-I224 HydrophobicContact CZ-CG1 4.08Å; F131-I228 HydrophobicContact CE2-CD1 4.08Å; F131-I228 HydrophobicContact CE2-CG2 4.37Å; F131-I228 HydrophobicContact CZ-CD1 4.16Å; F131-Y360 HydrophobicContact CB-CD1 4.17Å; F131-Y360 HydrophobicContact CB-CE1 3.45Å; F131-Y360 VanDerWaalsContact CB-CE1 3.45Å; F131-Y360 HydrophobicContact CB-CE2 4.44Å; F131-Y360 HydrophobicContact CD2-CE1 4.35Å; F131-Y360 AromaticContact CD2-CE2 3.82Å; F131-Y360 HydrophobicContact CD2-CE2 3.82Å; F131-Y360 AromaticContact CD2-CZ 3.66Å; F131-Y360 HydrophobicContact CE2-CE2 4.18Å; F131-Y360 HydrophobicContact CG-CD1 4.46Å; F131-Y360 AromaticContact CG-CE1 3.94Å; F131-Y360 HydrophobicContact CG-CE1 3.94Å; F131-Y360 HydrophobicContact CG-CE2 4.08Å; F131-Y360 AromaticContact CG-CZ 3.71Å
132	E	89.8	Confident	94.4	Very high	161 Å²	161	58.6 Å²	58.6	75%	0.752	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.9	170.1	-63	177.9	170.6	0	0	112.2	S129 Y130	S129-E132 PolarHBondContact O-N 3.07Å; Y130-E132 VanDerWaalsContact C-N 3.27Å; Y130-E132 PolarHBondContact O-N 2.96Å
133	K	91	Very high	94.4	Very high	170 Å²	170	61.6 Å²	61.6	74%	0.739	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-24.8	-172.9	-63.1	175.4	-173.4	168.8	0	113.1	Y130 F131	Y130-K133 PolarHBondContact O-N 3.22Å; Y130-K133 VanDerWaalsContact O-N 3.17Å; F131-K133 VanDerWaalsContact C-N 3.25Å
134	N	93.5	Very high	94.4	Very high	74 Å²	74	63.2 Å²	63.2	40%	0.396	32%	0.317	S	S	.	.	S	Bend	trans	-131.9	145.1	-173.2	-53.1	-78.3	0	0	0	110.1	Y130 F131	Y130-N134 HydrophobicContact CD1-CB 4.16Å; Y130-N134 HydrophobicContact CE1-CB 3.67Å; Y130-N134 HydrophobicContact CE2-CB 4.12Å; Y130-N134 WeakPolarHBondContact O-CB 2.94Å; Y130-N134 PolarHBondContact O-N 2.79Å; Y130-N134 PolarHBondContact O-ND2 3.41Å; Y130-N134 VanDerWaalsContact O-ND2 3.13Å; F131-N134 WeakPolarHBondContact CA-O 3.47Å
135	S	92.6	Very high	94.5	Very high	83 Å²	83	57.8 Å²	57.8	58%	0.58	30%	0.299	S	S	*	.			trans	-75.9	151.6	168.8	-61.4	0	0	0	0	110.6	D137	S135-D137 VanDerWaalsContact C-N 3.3Å; S135-D137 PolarHBondContact O-N 3.13Å
136	F	95.2	Very high	94.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	29%	0.29	C	S	.	.	S	Bend	trans	-92.6	64.5	169.1	-169.9	-147.4	0	0	0	110.2	F131 I140 L334 P336 F356 H358 N361	F131-F136 HydrophobicContact CD1-CB 4.03Å; F131-F136 HydrophobicContact CE1-CB 3.64Å; F131-F136 HydrophobicContact CE1-CD1 4.38Å; F131-F136 HydrophobicContact CE1-CD2 4.26Å; F131-F136 AromaticContact CE1-CG 3.84Å; F131-F136 HydrophobicContact CE1-CG 3.84Å; F131-F136 HydrophobicContact CZ-CG 4.48Å; F136-I140 HydrophobicContact CD2-CD1 4.07Å; F136-I140 HydrophobicContact CE2-CD1 4.09Å; F136-I140 HydrophobicContact CE2-CG1 4.31Å; F136-L334 HydrophobicContact CE2-CB 4.13Å; F136-L334 HydrophobicContact CZ-CB 4Å; F136-P336 HydrophobicContact CD1-CB 4.07Å; F136-P336 HydrophobicContact CD2-CB 3.89Å; F136-P336 HydrophobicContact CD2-CG 4.33Å; F136-P336 HydrophobicContact CE1-CB 3.97Å; F136-P336 HydrophobicContact CE2-CB 3.77Å; F136-P336 HydrophobicContact CE2-CG 4.16Å; F136-P336 HydrophobicContact CG-CB 4.03Å; F136-P336 HydrophobicContact CZ-CB 3.8Å; F136-P336 WeakPolarHBondContact O-CB 3.32Å; F136-F356 HydrophobicContact CE1-CE2 4.31Å; F136-F356 HydrophobicContact CE1-CZ 4.2Å; F136-H358 AromaticContact CD1-CE1 3.9Å; F136-H358 AromaticContact CD1-NE2 3.39Å; F136-H358 WeakPolarHBondContact CD1-NE2 3.25Å; F136-H358 AromaticContact CE1-NE2 3.53Å; F136-N361 PolarHBondContact O-ND2 2.93Å
137	D	95.4	Very high	95.1	Very high	69 Å²	69	59.3 Å²	59.3	37%	0.369	31%	0.306	S	S	.	.			trans	-117.1	-4.1	-174.6	69.1	-25.3	0	0	0	113.2	S135 W339	S135-D137 VanDerWaalsContact C-N 3.3Å; S135-D137 PolarHBondContact O-N 3.13Å; D137-W339 WeakPolarHBondContact O-CZ2 3.49Å; D137-W339 PolarHBondContact O-NE1 3.01Å
138	R	96.2	Very high	95.4	Very high	76 Å²	76	58.8 Å²	58.8	29%	0.287	30%	0.299	S	S	.	.	S	Bend	trans	-124.1	143.6	177.8	-70.8	177.1	64.2	-171.1	-0	111.1	E114 S115 D116 V117 V118	E114-R138 PolarHBondContact O-NH2 2.85Å; S115-R138 VanDerWaalsContact C-NH2 3.27Å; S115-R138 PolarHBondContact O-NE 3.35Å; S115-R138 PolarHBondContact O-NH2 2.83Å; D116-R138 WeakPolarHBondContact O-CB 3.38Å; D116-R138 WeakPolarHBondContact O-CG 3.37Å; D116-R138 PolarHBondContact O-NE 2.82Å; V117-R138 VanDerWaalsContact C-NH2 3.26Å; V117-R138 PolarHBondContact O-NH2 2.88Å; V118-R138 HydrophobicContact CG2-CB 4.23Å
139	P	97.8	Very high	95.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.			trans	-57.8	143.6	170.4	-23.5	33.4	0	0	0	110.4	V117 V118 L290 L334 I335 W339	V117-P139 CarbonylContact C-O 3.57Å; V117-P139 WeakPolarHBondContact CA-O 3.43Å; V117-P139 HydrophobicContact CG1-CB 4.31Å; V117-P139 WeakPolarHBondContact CG1-O 3.43Å; V117-P139 HydrophobicContact CG2-CB 4.25Å; V118-P139 PolarHBondContact N-O 3.45Å; P139-L290 HydrophobicContact CB-CD1 4.45Å; P139-L290 HydrophobicContact CG-CD1 4.09Å; P139-L334 CarbonylContact C-O 3.57Å; P139-L334 WeakPolarHBondContact CA-O 3.31Å; P139-I335 HydrophobicContact CG-CG2 4.24Å; P139-W339 VanDerWaalsContact CD-CE2 3.42Å; P139-W339 HydrophobicContact CG-CD2 3.79Å; P139-W339 HydrophobicContact CG-CE3 3.78Å; P139-W339 HydrophobicContact CG-CG 4.41Å; P139-W339 HydrophobicContact CG-CH2 4.13Å; P139-W339 HydrophobicContact CG-CZ2 4.17Å; P139-W339 HydrophobicContact CG-CZ3 3.95Å
140	I	97.4	Very high	95.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.7	-179.9	-49.9	-178.6	0	0	0	107.6	V118 M120 F126 Y130 F136 F142 V333 L334	V118-I140 HydrophobicContact CB-CG1 4.31Å; V118-I140 HydrophobicContact CB-CG2 4.4Å; V118-I140 HydrophobicContact CG1-CG2 4.44Å; V118-I140 CarbonylContact O-C 3.51Å; V118-I140 WeakPolarHBondContact O-CA 3.4Å; M120-I140 HydrophobicContact CG-CG2 4.07Å; M120-I140 HydrophobicContact SD-CG2 3.84Å; F126-I140 HydrophobicContact CE2-CD1 3.43Å; F126-I140 VanDerWaalsContact CE2-CD1 3.43Å; F126-I140 HydrophobicContact CZ-CD1 3.61Å; Y130-I140 HydrophobicContact CE1-CD1 3.95Å; F136-I140 HydrophobicContact CD2-CD1 4.07Å; F136-I140 HydrophobicContact CE2-CD1 4.09Å; F136-I140 HydrophobicContact CE2-CG1 4.31Å; I140-F142 HydrophobicContact CB-CE2 4.13Å; I140-F142 HydrophobicContact CB-CZ 4.4Å; I140-F142 HydrophobicContact CG2-CD2 4.34Å; I140-F142 HydrophobicContact CG2-CE1 4.18Å; I140-F142 HydrophobicContact CG2-CE2 3.63Å; I140-F142 HydrophobicContact CG2-CZ 3.54Å; I140-V333 CarbonylContact O-C 3.57Å; I140-V333 VanDerWaalsContact O-CA 3.3Å; I140-V333 WeakPolarHBondContact O-CA 3.29Å; I140-L334 HydrophobicContact CB-CB 4.42Å; I140-L334 PolarHBondContact N-O 2.64Å; I140-L334 PolarHBondContact O-N 2.85Å
141	L	97.8	Very high	96.1	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.9	176.5	176.4	65.7	0	0	0	109.6	V117 V118 V119 M120 V325 V327 N331 V333	V117-L141 HydrophobicContact CG1-CB 3.8Å; V118-L141 PolarHBondContact O-N 2.84Å; V119-L141 WeakPolarHBondContact CA-O 3.49Å; M120-L141 PolarHBondContact N-O 2.93Å; L141-V325 HydrophobicContact CD2-CG2 3.95Å; L141-V327 HydrophobicContact CD1-CG1 4.35Å; L141-V327 HydrophobicContact CD1-CG2 4.28Å; L141-N331 HydrophobicContact CD1-CB 4.07Å; L141-V333 HydrophobicContact CD1-CB 4.28Å
142	F	98.3	Very high	96.4	Very high	1 Å²	1	61 Å²	61	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124	168.8	-57.3	-87.7	0	0	0	109.3	M120 F126 I140 S144 L148 N331 V332 L334	M120-F142 HydrophobicContact CB-CD1 3.83Å; M120-F142 HydrophobicContact CB-CE1 4Å; M120-F142 HydrophobicContact CG-CE1 4.3Å; M120-F142 WeakPolarHBondContact O-CA 3.3Å; M120-F142 HydrophobicContact SD-CD1 4.45Å; M120-F142 HydrophobicContact SD-CE1 3.65Å; M120-F142 HydrophobicContact SD-CZ 4.13Å; F126-F142 HydrophobicContact CB-CE1 3.78Å; F126-F142 HydrophobicContact CB-CZ 4.13Å; F126-F142 AromaticContact CD1-CE1 3.99Å; F126-F142 HydrophobicContact CD1-CE1 3.99Å; F126-F142 HydrophobicContact CD1-CE2 4.48Å; F126-F142 AromaticContact CD1-CZ 3.46Å; F126-F142 HydrophobicContact CD1-CZ 3.46Å; F126-F142 VanDerWaalsContact CD1-CZ 3.46Å; F126-F142 HydrophobicContact CD2-CE1 4.28Å; F126-F142 AromaticContact CD2-CZ 3.96Å; F126-F142 HydrophobicContact CD2-CZ 3.96Å; F126-F142 HydrophobicContact CE1-CE2 4.49Å; F126-F142 AromaticContact CE1-CZ 3.76Å; F126-F142 HydrophobicContact CE1-CZ 3.76Å; F126-F142 HydrophobicContact CE2-CZ 4.25Å; F126-F142 AromaticContact CG-CE1 3.75Å; F126-F142 HydrophobicContact CG-CE1 3.75Å; F126-F142 AromaticContact CG-CZ 3.57Å; F126-F142 HydrophobicContact CG-CZ 3.57Å; F126-F142 HydrophobicContact CZ-CZ 4.16Å; I140-F142 HydrophobicContact CB-CE2 4.13Å; I140-F142 HydrophobicContact CB-CZ 4.4Å; I140-F142 HydrophobicContact CG2-CD2 4.34Å; I140-F142 HydrophobicContact CG2-CE1 4.18Å; I140-F142 HydrophobicContact CG2-CE2 3.63Å; I140-F142 HydrophobicContact CG2-CZ 3.54Å; F142-S144 PolarHBondContact O-N 3.16Å; F142-L148 HydrophobicContact CB-CD1 4.21Å; F142-L148 HydrophobicContact CD1-CD1 4.33Å; F142-L148 HydrophobicContact CD1-CD2 4.06Å; F142-L148 HydrophobicContact CD2-CD1 4.06Å; F142-L148 HydrophobicContact CD2-CD2 4.47Å; F142-L148 HydrophobicContact CE1-CD2 3.88Å; F142-L148 HydrophobicContact CE2-CD2 4.32Å; F142-L148 HydrophobicContact CG-CD1 3.92Å; F142-L148 HydrophobicContact CG-CD2 4.37Å; F142-L148 HydrophobicContact CZ-CD2 4.02Å; F142-N331 VanDerWaalsContact O-CA 3.3Å; F142-N331 WeakPolarHBondContact O-CA 3.27Å; F142-N331 WeakPolarHBondContact O-CB 3.26Å; F142-V332 HydrophobicContact CB-CB 4.21Å; F142-V332 HydrophobicContact CD2-CB 4.27Å; F142-V332 HydrophobicContact CD2-CG1 4.47Å; F142-V332 PolarHBondContact N-O 3.27Å; F142-V332 PolarHBondContact O-N 2.68Å; F142-L334 HydrophobicContact CE2-CD1 3.82Å; F142-L334 HydrophobicContact CE2-CG 3.91Å; F142-L334 HydrophobicContact CZ-CD1 4.32Å
143	K	97.9	Very high	96.8	Very high	101 Å²	101	53.6 Å²	53.6	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-67.7	-28.6	176.2	-66.4	179.7	-176.3	170	0	112.1	V119 M120 E121 N331	V119-K143 HydrophobicContact CG1-CD 4.43Å; V119-K143 HydrophobicContact CG1-CG 4.23Å; M120-K143 PolarHBondContact O-N 2.95Å; E121-K143 PolarHBondContact O-N 3.18Å; E121-K143 WeakPolarHBondContact OE1-CE 3.16Å; E121-K143 IonicContact OE1-NZ 3.12Å; E121-K143 PolarHBondContact OE1-NZ 3.15Å; E121-K143 WeakPolarHBondContact OE2-CD 3.3Å; E121-K143 IonicContact OE2-NZ 3.14Å; K143-N331 PolarHBondContact O-ND2 3.34Å
144	S	97.9	Very high	96.9	Very high	36 Å²	36	48.8 Å²	48.8	25%	0.252	26%	0.261	S	S	.	.			trans	-133.2	145.7	176.4	178.8	0	0	0	0	111.4	E121 F142 E146	E121-S144 WeakPolarHBondContact O-CB 3.16Å; E121-S144 PolarHBondContact O-N 2.87Å; F142-S144 PolarHBondContact O-N 3.16Å; S144-E146 PolarHBondContact O-N 2.82Å; S144-E146 WeakPolarHBondContact OG-CG 3.45Å; S144-E146 PolarHBondContact OG-N 2.81Å
145	A	96.9	Very high	96.8	Very high	34 Å²	34	49 Å²	49	28%	0.281	27%	0.268	S	S	.	.			trans	-75.3	-5.6	173.3	0	0	0	0	0	114.2	L148 L150 G330 V332	A145-L148 PolarHBondContact O-N 2.87Å; A145-L150 HydrophobicContact CB-CD2 4.28Å; A145-G330 PolarHBondContact N-O 3.35Å; A145-V332 HydrophobicContact CB-CG2 3.73Å
146	E	97.7	Very high	96.9	Very high	120 Å²	120	50.6 Å²	50.6	56%	0.561	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	142.3	177.2	-73.8	176.5	172	0	0	111.4	N122 G123 S144 L148	N122-E146 HydrophobicContact CB-CB 4.16Å; N122-E146 WeakPolarHBondContact CB-O 3.39Å; G123-E146 PolarHBondContact N-O 3.32Å; S144-E146 PolarHBondContact O-N 2.82Å; S144-E146 WeakPolarHBondContact OG-CG 3.45Å; S144-E146 PolarHBondContact OG-N 2.81Å; E146-L148 PolarHBondContact O-N 3.03Å; E146-L148 VanDerWaalsContact O-N 3.17Å
147	H	97.9	Very high	96.9	Very high	90 Å²	90	51.5 Å²	51.5	42%	0.417	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	21.1	178.8	-50.5	-68.8	0	0	0	115.4	G123 F124 E149	G123-H147 CarbonylContact C-O 3.58Å; G123-H147 VanDerWaalsContact C-O 3.31Å; G123-H147 VanDerWaalsContact CA-O 3.29Å; G123-H147 WeakPolarHBondContact CA-O 3.33Å; F124-H147 HydrophobicContact CB-CB 4.15Å; H147-E149 VanDerWaalsContact C-OE2 3.29Å; H147-E149 VanDerWaalsContact O-OE2 3.07Å
148	L	98.2	Very high	97	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-3.1	166.4	-68	176.8	0	0	0	112.6	F126 F142 A145 E146 L150 P222 E223 V332	F126-L148 HydrophobicContact CD1-CD2 4.38Å; F142-L148 HydrophobicContact CB-CD1 4.21Å; F142-L148 HydrophobicContact CD1-CD1 4.33Å; F142-L148 HydrophobicContact CD1-CD2 4.06Å; F142-L148 HydrophobicContact CD2-CD1 4.06Å; F142-L148 HydrophobicContact CD2-CD2 4.47Å; F142-L148 HydrophobicContact CE1-CD2 3.88Å; F142-L148 HydrophobicContact CE2-CD2 4.32Å; F142-L148 HydrophobicContact CG-CD1 3.92Å; F142-L148 HydrophobicContact CG-CD2 4.37Å; F142-L148 HydrophobicContact CZ-CD2 4.02Å; A145-L148 PolarHBondContact O-N 2.87Å; E146-L148 PolarHBondContact O-N 3.03Å; E146-L148 VanDerWaalsContact O-N 3.17Å; L148-L150 HydrophobicContact CB-CB 4.19Å; L148-L150 PolarHBondContact O-N 2.91Å; L148-P222 HydrophobicContact CB-CB 4.4Å; L148-P222 CarbonylContact O-C 3.52Å; L148-P222 VanDerWaalsContact O-CA 3.23Å; L148-P222 WeakPolarHBondContact O-CA 3.3Å; L148-E223 PolarHBondContact O-N 3.43Å; L148-V332 HydrophobicContact CD1-CB 3.82Å; L148-V332 HydrophobicContact CD1-CG1 4.01Å; L148-V332 HydrophobicContact CD1-CG2 3.81Å
149	E	98.1	Very high	97	Very high	94 Å²	94	47.4 Å²	47.4	44%	0.439	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	23.4	-177.4	-67.6	63.6	-141	0	0	111.8	H147 E223	H147-E149 VanDerWaalsContact C-OE2 3.29Å; H147-E149 VanDerWaalsContact O-OE2 3.07Å; E149-E223 HydrophobicContact CB-CB 3.73Å; E149-E223 HydrophobicContact CG-CB 4.19Å; E149-E223 WeakPolarHBondContact CG-OE2 3.3Å
150	L	98.3	Very high	96.9	Very high	24 Å²	24	50.8 Å²	50.8	13%	0.126	29%	0.291	C	S	.	.			trans	-79.6	124.7	175.8	174.4	59.8	0	0	0	108.6	A145 L148 L152 T220 P222 W278 A280 V332	A145-L150 HydrophobicContact CB-CD2 4.28Å; L148-L150 HydrophobicContact CB-CB 4.19Å; L148-L150 PolarHBondContact O-N 2.91Å; L150-L152 HydrophobicContact CD1-CD2 3.66Å; L150-L152 HydrophobicContact CD1-CG 3.98Å; L150-L152 HydrophobicContact CD2-CD1 4.05Å; L150-L152 HydrophobicContact CD2-CG 4.23Å; L150-L152 HydrophobicContact CG-CD1 4.29Å; L150-L152 HydrophobicContact CG-CD2 4.17Å; L150-L152 HydrophobicContact CG-CG 3.92Å; L150-T220 WeakPolarHBondContact CA-O 3.05Å; L150-T220 WeakPolarHBondContact CD1-O 3.45Å; L150-P222 HydrophobicContact CB-CG 4.38Å; L150-P222 HydrophobicContact CD1-CG 4.21Å; L150-P222 HydrophobicContact CD2-CG 4.47Å; L150-W278 HydrophobicContact CD1-CE3 4.44Å; L150-W278 HydrophobicContact CD1-CH2 4.45Å; L150-W278 HydrophobicContact CD1-CZ3 3.97Å; L150-A280 HydrophobicContact CD2-CB 3.98Å; L150-V332 HydrophobicContact CD2-CG2 3.7Å
151	T	98.3	Very high	96.9	Very high	79 Å²	79	54.5 Å²	54.5	49%	0.485	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-113.2	126.2	171.9	-57.2	0	0	0	0	108.5	V219 T220	T151-V219 CarbonylContact O-C 3.53Å; T151-V219 WeakPolarHBondContact O-CA 3.48Å; T151-T220 PolarHBondContact N-O 2.76Å; T151-T220 PolarHBondContact O-N 2.75Å
152	L	98.3	Very high	97	Very high	45 Å²	45	54 Å²	54	24%	0.236	31%	0.307	C	S	.	.			trans	-125	155.1	179	-62.7	179.4	0	0	0	110.5	L150 V219 W278 A280 V282 Y352	L150-L152 HydrophobicContact CD1-CD2 3.66Å; L150-L152 HydrophobicContact CD1-CG 3.98Å; L150-L152 HydrophobicContact CD2-CD1 4.05Å; L150-L152 HydrophobicContact CD2-CG 4.23Å; L150-L152 HydrophobicContact CG-CD1 4.29Å; L150-L152 HydrophobicContact CG-CD2 4.17Å; L150-L152 HydrophobicContact CG-CG 3.92Å; L152-V219 HydrophobicContact CD2-CG1 4.24Å; L152-W278 HydrophobicContact CD2-CH2 4.44Å; L152-W278 HydrophobicContact CD2-CZ3 4.3Å; L152-A280 HydrophobicContact CD1-CB 3.84Å; L152-V282 HydrophobicContact CB-CG1 4.29Å; L152-V282 HydrophobicContact CD1-CG1 3.59Å; L152-Y352 HydrophobicContact CB-CD2 4.48Å; L152-Y352 HydrophobicContact CD1-CD2 4.46Å; L152-Y352 HydrophobicContact CD2-CD2 4.06Å; L152-Y352 HydrophobicContact CD2-CG 4Å
153	P	97.5	Very high	97	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.039	31%	0.307	C	S	.	.			trans	-52.5	147.2	167.8	-28.2	36.3	0	0	0	112.1	S155 L157 L215 M218 V219 Y352	P153-S155 PolarHBondContact O-N 3.43Å; P153-L157 HydrophobicContact CB-CD2 3.92Å; P153-L215 HydrophobicContact CB-CD1 4.32Å; P153-L215 HydrophobicContact CG-CD1 3.79Å; P153-M218 HydrophobicContact CB-CE 4.04Å; P153-M218 HydrophobicContact CG-CB 3.86Å; P153-M218 HydrophobicContact CG-CE 4.47Å; P153-V219 HydrophobicContact CG-CG2 4.05Å; P153-Y352 HydrophobicContact CB-CE2 4.23Å; P153-Y352 HydrophobicContact CG-CE1 3.98Å; P153-Y352 HydrophobicContact CG-CE2 3.97Å; P153-Y352 WeakPolarHBondContact CG-OH 3.46Å
154	P	94	Very high	97	Very high	69 Å²	69	54 Å²	54	45%	0.448	31%	0.313	S	S	.	.			trans	-61.8	140.1	-177.9	26	-33.2	0	0	0	110.4	T156 L157	P154-T156 PolarHBondContact O-N 2.98Å; P154-L157 HydrophobicContact CG-CB 4.33Å; P154-L157 VanDerWaalsContact O-CB 3.26Å; P154-L157 WeakPolarHBondContact O-CB 3.47Å; P154-L157 PolarHBondContact O-N 2.89Å
155	S	91.3	Very high	97	Very high	78 Å²	78	54.5 Å²	54.5	55%	0.545	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.9	179.5	62.2	0	0	0	0	113.8	P153 R283	P153-S155 PolarHBondContact O-N 3.43Å; S155-R283 VanDerWaalsContact O-CZ 3.28Å; S155-R283 PolarHBondContact O-NE 3.12Å; S155-R283 PolarHBondContact O-NH2 2.87Å
156	T	94.2	Very high	97.1	Very high	118 Å²	118	53.6 Å²	53.6	72%	0.724	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.6	174.2	53.7	0	0	0	0	114.3	P154 S158	P154-T156 PolarHBondContact O-N 2.98Å; T156-S158 PolarHBondContact O-N 3.42Å; T156-S158 VanDerWaalsContact O-N 3.13Å
157	L	96.3	Very high	97.1	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.12	29%	0.289	C	S	.	.			trans	-58.6	112.3	-179.2	179.5	68	0	0	0	111.5	P153 P154 D161 L162 L165 L215 R283	P153-L157 HydrophobicContact CB-CD2 3.92Å; P154-L157 HydrophobicContact CG-CB 4.33Å; P154-L157 VanDerWaalsContact O-CB 3.26Å; P154-L157 WeakPolarHBondContact O-CB 3.47Å; P154-L157 PolarHBondContact O-N 2.89Å; L157-D161 HydrophobicContact CD1-CB 3.66Å; L157-L162 HydrophobicContact CD2-CB 4.2Å; L157-L162 HydrophobicContact CG-CB 4.45Å; L157-L165 HydrophobicContact CD1-CD1 4.09Å; L157-L165 HydrophobicContact CD2-CD1 4.07Å; L157-L215 HydrophobicContact CD2-CD1 3.79Å; L157-R283 VanDerWaalsContact O-CZ 3.3Å; L157-R283 PolarHBondContact O-NH1 3.02Å; L157-R283 PolarHBondContact O-NH2 3.3Å
158	S	96.6	Very high	97.1	Very high	45 Å²	45	47.8 Å²	47.8	32%	0.315	29%	0.287	S	S	.	.			trans	-62.7	152.9	-177.3	79.6	0	0	0	0	111.4	T156 S160 D161 L162	T156-S158 PolarHBondContact O-N 3.42Å; T156-S158 VanDerWaalsContact O-N 3.13Å; S158-S160 PolarHBondContact O-N 3.17Å; S158-D161 WeakPolarHBondContact CB-OD2 3.35Å; S158-D161 PolarHBondContact O-N 2.87Å; S158-D161 WeakPolarHBondContact OG-CB 3.46Å; S158-D161 PolarHBondContact OG-N 2.99Å; S158-D161 PolarHBondContact OG-OD2 3.27Å; S158-L162 WeakPolarHBondContact O-CB 3.5Å; S158-L162 PolarHBondContact O-N 3.23Å
159	L	96.5	Very high	97	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-30.6	175.5	-73.5	-174.8	0	0	0	111.8	L162 G163 L191 F194 I259	L159-L162 HydrophobicContact CD2-CD1 4.21Å; L159-L162 WeakPolarHBondContact O-CB 3.43Å; L159-L162 PolarHBondContact O-N 3.38Å; L159-G163 PolarHBondContact O-N 3.4Å; L159-L191 HydrophobicContact CB-CD2 4.18Å; L159-L191 HydrophobicContact CD2-CD2 4.44Å; L159-L191 WeakPolarHBondContact O-CD1 3.07Å; L159-F194 HydrophobicContact CD1-CD1 3.28Å; L159-F194 HydrophobicContact CD1-CE1 3.46Å; L159-F194 VanDerWaalsContact CD1-CE1 3.46Å; L159-F194 HydrophobicContact CD1-CG 3.94Å; L159-F194 HydrophobicContact CD1-CZ 4.22Å; L159-I259 HydrophobicContact CD1-CG2 4.48Å; L159-I259 HydrophobicContact CD2-CD1 4.4Å; L159-I259 HydrophobicContact CD2-CG2 4.33Å
160	S	96.2	Very high	96.9	Very high	72 Å²	72	51.2 Å²	51.2	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-47.1	172	-176.9	0	0	0	0	112.1	S158 L162 G163 N164	S158-S160 PolarHBondContact O-N 3.17Å; S160-L162 VanDerWaalsContact C-N 3.34Å; S160-G163 PolarHBondContact O-N 3.15Å; S160-N164 PolarHBondContact O-N 3.13Å; S160-N164 VanDerWaalsContact O-N 3.1Å; S160-N164 PolarHBondContact O-ND2 3.43Å
161	D	97.8	Very high	96.8	Very high	79 Å²	79	53.7 Å²	53.7	42%	0.422	32%	0.321	S	S	.	.	H	α-helix	trans	-66.5	-39.7	178.6	-62.3	-41.8	0	0	0	111.1	L157 S158 G163 N164 L165	L157-D161 HydrophobicContact CD1-CB 3.66Å; S158-D161 WeakPolarHBondContact CB-OD2 3.35Å; S158-D161 PolarHBondContact O-N 2.87Å; S158-D161 WeakPolarHBondContact OG-CB 3.46Å; S158-D161 PolarHBondContact OG-N 2.99Å; S158-D161 PolarHBondContact OG-OD2 3.27Å; D161-G163 VanDerWaalsContact C-N 3.31Å; D161-G163 PolarHBondContact O-N 2.89Å; D161-N164 WeakPolarHBondContact O-CB 3.37Å; D161-N164 PolarHBondContact O-N 2.91Å; D161-N164 VanDerWaalsContact O-N 3.09Å; D161-L165 WeakPolarHBondContact O-CG 3.31Å; D161-L165 PolarHBondContact O-N 3.35Å
162	L	97.9	Very high	96.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-46.9	171.9	-172.8	159.3	0	0	0	111.1	L157 S158 L159 S160 N164 L165 V166 L215 I259 L350	L157-L162 HydrophobicContact CD2-CB 4.2Å; L157-L162 HydrophobicContact CG-CB 4.45Å; S158-L162 WeakPolarHBondContact O-CB 3.5Å; S158-L162 PolarHBondContact O-N 3.23Å; L159-L162 HydrophobicContact CD2-CD1 4.21Å; L159-L162 WeakPolarHBondContact O-CB 3.43Å; L159-L162 PolarHBondContact O-N 3.38Å; S160-L162 VanDerWaalsContact C-N 3.34Å; L162-N164 VanDerWaalsContact C-N 3.27Å; L162-N164 PolarHBondContact O-N 2.66Å; L162-L165 PolarHBondContact O-N 2.67Å; L162-V166 HydrophobicContact CD2-CG2 4.3Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 3.1Å; L162-L215 HydrophobicContact CD1-CD2 4.3Å; L162-L215 HydrophobicContact CD2-CD2 4.01Å; L162-L215 HydrophobicContact CG-CD1 4.44Å; L162-L215 HydrophobicContact CG-CD2 3.74Å; L162-I259 HydrophobicContact CD2-CD1 4.02Å; L162-L350 HydrophobicContact CD1-CD1 3.78Å; L162-L350 HydrophobicContact CD1-CD2 4.02Å
163	G	98.2	Very high	96.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-36.4	175.6	0	0	0	0	0	113.3	L159 S160 D161 G167 T168 L191	L159-G163 PolarHBondContact O-N 3.4Å; S160-G163 PolarHBondContact O-N 3.15Å; D161-G163 VanDerWaalsContact C-N 3.31Å; D161-G163 PolarHBondContact O-N 2.89Å; G163-G167 CarbonylContact O-C 3.24Å; G163-G167 VanDerWaalsContact O-C 3.3Å; G163-G167 WeakPolarHBondContact O-CA 3.29Å; G163-G167 PolarHBondContact O-N 2.81Å; G163-T168 PolarHBondContact O-N 3.41Å; G163-L191 VanDerWaalsContact CA-CD1 3.49Å
164	N	98.2	Very high	96.6	Very high	104 Å²	104	51.2 Å²	51.2	56%	0.556	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-39.1	176.7	-68	-32.1	0	0	0	112.6	S160 D161 L162 V166	S160-N164 PolarHBondContact O-N 3.13Å; S160-N164 VanDerWaalsContact O-N 3.1Å; S160-N164 PolarHBondContact O-ND2 3.43Å; D161-N164 WeakPolarHBondContact O-CB 3.37Å; D161-N164 PolarHBondContact O-N 2.91Å; D161-N164 VanDerWaalsContact O-N 3.09Å; L162-N164 VanDerWaalsContact C-N 3.27Å; L162-N164 PolarHBondContact O-N 2.66Å; N164-V166 PolarHBondContact O-N 3Å
165	L	98.5	Very high	96.8	Very high	45 Å²	45	48.9 Å²	48.9	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-26	177.6	-68.5	167.5	0	0	0	113	L157 D161 L162 D214 L215 M218	L157-L165 HydrophobicContact CD1-CD1 4.09Å; L157-L165 HydrophobicContact CD2-CD1 4.07Å; D161-L165 WeakPolarHBondContact O-CG 3.31Å; D161-L165 PolarHBondContact O-N 3.35Å; L162-L165 PolarHBondContact O-N 2.67Å; L165-D214 HydrophobicContact CB-CB 4.34Å; L165-D214 HydrophobicContact CD2-CB 3.73Å; L165-D214 PolarHBondContact O-N 3.04Å; L165-L215 HydrophobicContact CB-CB 3.91Å; L165-L215 HydrophobicContact CD1-CD1 3.95Å; L165-M218 HydrophobicContact CD1-SD 3.91Å
166	V	98.3	Very high	97	Very high	16 Å²	16	45.4 Å²	45.4	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-96.3	-31.1	179.1	176.2	0	0	0	0	112.3	L162 N164 L187 L208 V210 T213 L215	L162-V166 HydrophobicContact CD2-CG2 4.3Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 3.1Å; N164-V166 PolarHBondContact O-N 3Å; V166-L187 HydrophobicContact CB-CD2 3.75Å; V166-L187 HydrophobicContact CG1-CD2 3.53Å; V166-L208 HydrophobicContact CG1-CD1 3.91Å; V166-L208 HydrophobicContact CG1-CD2 4.41Å; V166-V210 HydrophobicContact CG2-CG1 4.13Å; V166-T213 HydrophobicContact CG1-CG2 4.47Å; V166-L215 HydrophobicContact CG2-CB 3.91Å; V166-L215 HydrophobicContact CG2-CD2 3.57Å; V166-L215 HydrophobicContact CG2-CG 4.41Å
167	G	98.1	Very high	97.1	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	23%	0.23	S	C	.	.			trans	100.7	109.7	-170.8	0	0	0	0	0	111.8	G163 S169 R170	G163-G167 CarbonylContact O-C 3.24Å; G163-G167 VanDerWaalsContact O-C 3.3Å; G163-G167 WeakPolarHBondContact O-CA 3.29Å; G163-G167 PolarHBondContact O-N 2.81Å; G167-S169 VanDerWaalsContact C-N 3.28Å; G167-S169 PolarHBondContact O-N 2.92Å; G167-R170 WeakPolarHBondContact O-CB 3.41Å; G167-R170 PolarHBondContact O-N 3.1Å
168	T	97.5	Very high	97	Very high	63 Å²	63	40.8 Å²	40.8	39%	0.387	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.5	-174.4	52.7	0	0	0	0	114.2	G163 R170 L187 G188	G163-T168 PolarHBondContact O-N 3.41Å; T168-R170 VanDerWaalsContact C-N 3.28Å; T168-L187 PolarHBondContact O-N 2.8Å; T168-G188 PolarHBondContact O-N 3.07Å
169	S	96.7	Very high	96.8	Very high	88 Å²	88	40.4 Å²	40.4	62%	0.615	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.5	174.7	57.5	0	0	0	0	113.6	G167 M171	G167-S169 VanDerWaalsContact C-N 3.28Å; G167-S169 PolarHBondContact O-N 2.92Å; S169-M171 PolarHBondContact O-N 2.95Å
170	R	96.5	Very high	96.7	Very high	83 Å²	83	42.6 Å²	42.6	31%	0.313	24%	0.236	S	C	.	.			trans	-61.4	128.2	178.1	-174	173.7	-178.6	-176.7	-4.8	109.5	G167 T168 V172 L187 E209	G167-R170 WeakPolarHBondContact O-CB 3.41Å; G167-R170 PolarHBondContact O-N 3.1Å; T168-R170 VanDerWaalsContact C-N 3.28Å; R170-V172 PolarHBondContact O-N 3.31Å; R170-L187 PolarHBondContact O-N 2.99Å; R170-E209 PolarHBondContact NH1-O 3.49Å; R170-E209 PolarHBondContact NH2-O 3.24Å
171	M	95.6	Very high	96.6	Very high	77 Å²	77	44.8 Å²	44.8	38%	0.379	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.5	174.9	-68.9	-60.7	-60.5	0	0	110	S169 R184 M185 E186	S169-M171 PolarHBondContact O-N 2.95Å; M171-R184 HydrophobicContact CE-CB 3.63Å; M171-R184 PolarHBondContact O-NH2 2.9Å; M171-M185 WeakPolarHBondContact CA-O 3.23Å; M171-E186 HydrophobicContact SD-CG 3.76Å
172	V	97.1	Very high	96.5	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.9	-178.4	-62.2	0	0	0	0	111.4	R170 A174 R184 M185 L187 L205 L208	R170-V172 PolarHBondContact O-N 3.31Å; V172-A174 PolarHBondContact O-N 3.25Å; V172-R184 VanDerWaalsContact O-CA 3.3Å; V172-R184 WeakPolarHBondContact O-CA 3.38Å; V172-M185 HydrophobicContact CG2-CG 4.23Å; V172-M185 WeakPolarHBondContact CG2-O 3.49Å; V172-M185 PolarHBondContact N-O 2.67Å; V172-M185 PolarHBondContact O-N 2.66Å; V172-L187 HydrophobicContact CG1-CB 4.06Å; V172-L187 HydrophobicContact CG1-CD1 4.36Å; V172-L205 HydrophobicContact CB-CD1 3.78Å; V172-L205 HydrophobicContact CG1-CD1 4.49Å; V172-L205 HydrophobicContact CG2-CD1 4.01Å; V172-L205 HydrophobicContact CG2-CD2 4.35Å; V172-L208 HydrophobicContact CG1-CD1 3.83Å
173	D	96.5	Very high	96.3	Very high	71 Å²	71	46.4 Å²	46.4	38%	0.38	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	94.9	175.8	-64.6	-28.9	0	0	0	109.2	T182 R184 L205	D173-T182 HydrophobicContact CB-CG2 3.74Å; D173-R184 WeakPolarHBondContact OD1-CG 3.46Å; D173-R184 IonicContact OD1-NE 3.32Å; D173-L205 WeakPolarHBondContact O-CD1 3.43Å
174	A	97.4	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.7	175.5	0	0	0	0	0	110.3	V172 T182 F183 M185 F190	V172-A174 PolarHBondContact O-N 3.25Å; A174-T182 CarbonylContact O-C 3.47Å; A174-T182 WeakPolarHBondContact O-CA 3.35Å; A174-F183 HydrophobicContact CB-CD1 4.46Å; A174-F183 HydrophobicContact CB-CE1 3.91Å; A174-F183 HydrophobicContact CB-CE2 4.28Å; A174-F183 HydrophobicContact CB-CZ 3.81Å; A174-F183 PolarHBondContact N-O 2.83Å; A174-F183 VanDerWaalsContact O-CD1 3.24Å; A174-F183 WeakPolarHBondContact O-CD1 3.33Å; A174-F183 PolarHBondContact O-N 2.91Å; A174-F183 VanDerWaalsContact O-O 3.1Å; A174-M185 HydrophobicContact CB-CG 3.91Å; A174-M185 HydrophobicContact CB-SD 3.6Å; A174-F190 HydrophobicContact CB-CD2 3.99Å; A174-F190 HydrophobicContact CB-CE2 4.35Å
175	I	97.7	Very high	95.8	Very high	20 Å²	20	49.8 Å²	49.8	10%	0.103	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.4	179.4	-57.7	169.1	0	0	0	108.4	V177 L203 N204 I206	I175-V177 PolarHBondContact O-N 3.43Å; I175-L203 VanDerWaalsContact O-CA 3.27Å; I175-L203 WeakPolarHBondContact O-CA 3.43Å; I175-N204 HydrophobicContact CB-CB 4.31Å; I175-N204 PolarHBondContact N-O 2.91Å; I175-N204 PolarHBondContact O-N 3.11Å; I175-I206 HydrophobicContact CD1-CD1 3.56Å; I175-I206 HydrophobicContact CD1-CG1 3.74Å
176	D	96	Very high	95.7	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	103.2	161.9	-174.4	-25.6	0	0	0	107.8	I51 N178 R179 Q180 R181 F183 R201 L203	I51-D176 HydrophobicContact CD1-CB 3.72Å; D176-N178 VanDerWaalsContact C-N 3.32Å; D176-N178 PolarHBondContact O-N 3.5Å; D176-N178 PolarHBondContact OD1-N 3.37Å; D176-R179 HydrophobicContact CB-CB 4.19Å; D176-R179 CarbonylContact O-C 3.54Å; D176-R179 PolarHBondContact O-N 3.43Å; D176-R179 VanDerWaalsContact O-N 3.16Å; D176-R179 PolarHBondContact OD1-N 3.46Å; D176-R179 WeakPolarHBondContact OD2-CD 3.42Å; D176-Q180 PolarHBondContact O-N 2.91Å; D176-R181 PolarHBondContact N-O 2.9Å; D176-R181 PolarHBondContact O-N 3.16Å; D176-F183 HydrophobicContact CB-CE1 4.19Å; D176-R201 IonicContact OD2-CZ 3.14Å; D176-R201 IonicContact OD2-NH1 2.65Å; D176-R201 PolarHBondContact OD2-NH1 3.28Å; D176-R201 VanDerWaalsContact OD2-NH1 3.1Å; D176-L203 HydrophobicContact CB-CD2 4.37Å
177	V	96.5	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.7	-43.8	-170.6	172.1	0	0	0	0	111.2	I175 R179 Q180 I202 N204	I175-V177 PolarHBondContact O-N 3.43Å; V177-R179 PolarHBondContact O-N 2.89Å; V177-Q180 PolarHBondContact O-N 3.01Å; V177-Q180 PolarHBondContact O-NE2 3.3Å; V177-I202 HydrophobicContact CB-CB 4.26Å; V177-I202 HydrophobicContact CB-CG2 4.05Å; V177-I202 WeakPolarHBondContact CB-O 3.38Å; V177-I202 HydrophobicContact CG1-CG2 4.48Å; V177-I202 HydrophobicContact CG2-CG2 3.93Å; V177-I202 WeakPolarHBondContact CG2-O 3.4Å; V177-I202 PolarHBondContact N-O 3.18Å; V177-I202 VanDerWaalsContact N-O 3.09Å; V177-N204 HydrophobicContact CG2-CB 3.75Å
178	N	93	Very high	95.7	Very high	44 Å²	44	50.6 Å²	50.6	24%	0.235	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70.7	-18.4	-175.7	-71.9	-28.1	0	0	0	112.5	Y82 D176	Y82-N178 VanDerWaalsContact CD1-O 3.31Å; Y82-N178 WeakPolarHBondContact CD1-O 3.31Å; D176-N178 VanDerWaalsContact C-N 3.32Å; D176-N178 PolarHBondContact O-N 3.5Å; D176-N178 PolarHBondContact OD1-N 3.37Å
179	R	92.7	Very high	95.5	Very high	37 Å²	37	51 Å²	51	14%	0.14	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-104.2	-7.6	176.8	-69.6	-174.1	160.4	160.9	-0.6	113.5	D55 W84 D176 V177 R181	D55-R179 IonicContact OD1-CZ 3.15Å; D55-R179 IonicContact OD1-NH1 3.33Å; D55-R179 PolarHBondContact OD1-NH1 2.81Å; D55-R179 IonicContact OD1-NH2 3.18Å; D55-R179 PolarHBondContact OD1-NH2 3.46Å; W84-R179 VanDerWaalsContact NE1-NH2 3.18Å; D176-R179 HydrophobicContact CB-CB 4.19Å; D176-R179 CarbonylContact O-C 3.54Å; D176-R179 PolarHBondContact O-N 3.43Å; D176-R179 VanDerWaalsContact O-N 3.16Å; D176-R179 PolarHBondContact OD1-N 3.46Å; D176-R179 WeakPolarHBondContact OD2-CD 3.42Å; V177-R179 PolarHBondContact O-N 2.89Å; R179-R181 HydrophobicContact CB-CB 4.14Å; R179-R181 PolarHBondContact O-N 2.93Å
180	Q	94.2	Very high	95.6	Very high	58 Å²	58	46.9 Å²	46.9	27%	0.271	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	41.7	-169.3	-68.4	-68.7	-66.9	0	0	111.8	Y82 D176 V177 Y265	Y82-Q180 HydrophobicContact CE1-CB 3.97Å; Y82-Q180 HydrophobicContact CE1-CG 3.61Å; Y82-Q180 HydrophobicContact CE2-CB 4.28Å; Y82-Q180 WeakPolarHBondContact OH-CG 3.14Å; D176-Q180 PolarHBondContact O-N 2.91Å; V177-Q180 PolarHBondContact O-N 3.01Å; V177-Q180 PolarHBondContact O-NE2 3.3Å; Q180-Y265 PolarHBondContact NE2-O 3.2Å; Q180-Y265 VanDerWaalsContact NE2-O 3.16Å
181	R	93.8	Very high	95.6	Very high	118 Å²	118	43.3 Å²	43.3	45%	0.445	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.9	-176.7	-175.5	178.3	174.5	-164.2	-4.7	110.9	E50 D176 R179	E50-R181 IonicContact OE1-CZ 2.71Å; E50-R181 IonicContact OE1-NH1 2.71Å; E50-R181 IonicContact OE1-NH2 3.9Å; E50-R181 PolarHBondContact OE1-NH2 3.47Å; D176-R181 PolarHBondContact N-O 2.9Å; D176-R181 PolarHBondContact O-N 3.16Å; R179-R181 HydrophobicContact CB-CB 4.14Å; R179-R181 PolarHBondContact O-N 2.93Å
182	T	95.6	Very high	95.7	Very high	80 Å²	80	43.5 Å²	43.5	49%	0.491	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.8	170.2	-51.4	0	0	0	0	110.9	D173 A174	D173-T182 HydrophobicContact CB-CG2 3.74Å; A174-T182 CarbonylContact O-C 3.47Å; A174-T182 WeakPolarHBondContact O-CA 3.35Å
183	F	93.9	Very high	95.6	Very high	33 Å²	33	44.1 Å²	44.1	15%	0.145	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.3	174.5	68.2	-76.7	0	0	0	110.2	I51 A174 D176 M185 L203	I51-F183 HydrophobicContact CB-CD2 4.2Å; I51-F183 HydrophobicContact CB-CE2 4.35Å; I51-F183 HydrophobicContact CB-CG 4.4Å; I51-F183 HydrophobicContact CD1-CD1 3.49Å; I51-F183 VanDerWaalsContact CD1-CD1 3.49Å; I51-F183 HydrophobicContact CD1-CD2 4.2Å; I51-F183 HydrophobicContact CD1-CE1 3.23Å; I51-F183 HydrophobicContact CD1-CE2 3.97Å; I51-F183 HydrophobicContact CD1-CG 3.97Å; I51-F183 HydrophobicContact CD1-CZ 3.49Å; I51-F183 VanDerWaalsContact CD1-CZ 3.49Å; I51-F183 HydrophobicContact CG2-CD2 4.07Å; I51-F183 HydrophobicContact CG2-CE2 3.83Å; I51-F183 HydrophobicContact CG2-CZ 4.31Å; A174-F183 HydrophobicContact CB-CD1 4.46Å; A174-F183 HydrophobicContact CB-CE1 3.91Å; A174-F183 HydrophobicContact CB-CE2 4.28Å; A174-F183 HydrophobicContact CB-CZ 3.81Å; A174-F183 PolarHBondContact N-O 2.83Å; A174-F183 VanDerWaalsContact O-CD1 3.24Å; A174-F183 WeakPolarHBondContact O-CD1 3.33Å; A174-F183 PolarHBondContact O-N 2.91Å; A174-F183 VanDerWaalsContact O-O 3.1Å; D176-F183 HydrophobicContact CB-CE1 4.19Å; F183-M185 HydrophobicContact CE2-CB 4.13Å; F183-M185 HydrophobicContact CE2-CG 4.2Å; F183-M185 HydrophobicContact CE2-SD 3.66Å; F183-M185 HydrophobicContact CZ-SD 3.83Å; F183-L203 HydrophobicContact CE1-CD2 3.9Å; F183-L203 HydrophobicContact CZ-CD1 4.03Å; F183-L203 HydrophobicContact CZ-CD2 3.87Å
184	R	93.1	Very high	95.7	Very high	158 Å²	158	41.4 Å²	41.4	60%	0.596	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.2	-179.9	-56.4	-161.7	73.6	-163.9	2.9	111.2	M171 V172 D173	M171-R184 HydrophobicContact CE-CB 3.63Å; M171-R184 PolarHBondContact O-NH2 2.9Å; V172-R184 VanDerWaalsContact O-CA 3.3Å; V172-R184 WeakPolarHBondContact O-CA 3.38Å; D173-R184 WeakPolarHBondContact OD1-CG 3.46Å; D173-R184 IonicContact OD1-NE 3.32Å
185	M	94	Very high	95.6	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.089	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163.5	170.4	66.5	-173.5	-55.7	0	0	111	M171 V172 A174 F183 K189 F190 L203	M171-M185 WeakPolarHBondContact CA-O 3.23Å; V172-M185 HydrophobicContact CG2-CG 4.23Å; V172-M185 WeakPolarHBondContact CG2-O 3.49Å; V172-M185 PolarHBondContact N-O 2.67Å; V172-M185 PolarHBondContact O-N 2.66Å; A174-M185 HydrophobicContact CB-CG 3.91Å; A174-M185 HydrophobicContact CB-SD 3.6Å; F183-M185 HydrophobicContact CE2-CB 4.13Å; F183-M185 HydrophobicContact CE2-CG 4.2Å; F183-M185 HydrophobicContact CE2-SD 3.66Å; F183-M185 HydrophobicContact CZ-SD 3.83Å; M185-K189 HydrophobicContact CE-CB 3.6Å; M185-F190 HydrophobicContact CE-CB 4.09Å; M185-F190 HydrophobicContact CG-CB 4.32Å; M185-F190 HydrophobicContact SD-CB 3.9Å; M185-F190 HydrophobicContact SD-CD2 4Å; M185-F190 HydrophobicContact SD-CG 4.47Å; M185-L203 HydrophobicContact CE-CD1 4.48Å; M185-L203 HydrophobicContact SD-CD1 3.96Å
186	E	95.5	Very high	95.5	Very high	85 Å²	85	50 Å²	50	40%	0.397	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.8	171.5	-67.6	179.1	168	0	0	110.4	M171 G188 K189 F190	M171-E186 HydrophobicContact SD-CG 3.76Å; E186-G188 PolarHBondContact O-N 2.81Å; E186-K189 HydrophobicContact CB-CB 4.46Å; E186-K189 HydrophobicContact CB-CD 4.45Å; E186-K189 HydrophobicContact CB-CG 4.24Å; E186-K189 WeakPolarHBondContact O-CB 3.39Å; E186-K189 PolarHBondContact O-N 2.77Å; E186-F190 PolarHBondContact O-N 2.8Å; E186-F190 VanDerWaalsContact O-N 3.1Å
187	L	98.1	Very high	95.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.4	-41.5	176.9	177.9	60.1	0	0	0	111.5	V166 T168 R170 V172 K189 F190 L191 L205 L208	V166-L187 HydrophobicContact CB-CD2 3.75Å; V166-L187 HydrophobicContact CG1-CD2 3.53Å; T168-L187 PolarHBondContact O-N 2.8Å; R170-L187 PolarHBondContact O-N 2.99Å; V172-L187 HydrophobicContact CG1-CB 4.06Å; V172-L187 HydrophobicContact CG1-CD1 4.36Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.38Å; L187-F190 WeakPolarHBondContact O-CB 3.21Å; L187-F190 PolarHBondContact O-N 3.21Å; L187-F190 VanDerWaalsContact O-N 3.11Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CD2 4.24Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.44Å; L187-L191 HydrophobicContact CG-CD1 3.82Å; L187-L191 HydrophobicContact CG-CG 4.2Å; L187-L191 VanDerWaalsContact O-CG 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.31Å; L187-L191 PolarHBondContact O-N 3Å; L187-L205 HydrophobicContact CD1-CD2 3.92Å; L187-L208 HydrophobicContact CD1-CD2 4.2Å; L187-L208 HydrophobicContact CD2-CD2 4.35Å
188	G	97.4	Very high	95.2	Very high	17 Å²	17	64.4 Å²	64.4	18%	0.175	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-38.5	177.5	0	0	0	0	0	113.2	T168 E186 S192	T168-G188 PolarHBondContact O-N 3.07Å; E186-G188 PolarHBondContact O-N 2.81Å; G188-S192 WeakPolarHBondContact O-CB 3.07Å; G188-S192 PolarHBondContact O-N 3.26Å; G188-S192 PolarHBondContact O-OG 2.79Å
189	K	95	Very high	95.3	Very high	73 Å²	73	65.5 Å²	65.5	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-42.5	174	-72	-176.8	171.5	-169.8	0	111.2	D49 M185 E186 L187 S192 H193	D49-K189 IonicContact OD1-NZ 3.57Å; D49-K189 PolarHBondContact OD1-NZ 2.91Å; D49-K189 IonicContact OD2-NZ 2.64Å; D49-K189 PolarHBondContact OD2-NZ 3.15Å; M185-K189 HydrophobicContact CE-CB 3.6Å; E186-K189 HydrophobicContact CB-CB 4.46Å; E186-K189 HydrophobicContact CB-CD 4.45Å; E186-K189 HydrophobicContact CB-CG 4.24Å; E186-K189 WeakPolarHBondContact O-CB 3.39Å; E186-K189 PolarHBondContact O-N 2.77Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.38Å; K189-S192 PolarHBondContact O-N 3.15Å; K189-H193 WeakPolarHBondContact O-CB 3.25Å; K189-H193 PolarHBondContact O-N 2.67Å
190	F	97.4	Very high	95.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-48.2	177.8	178.4	-82.9	0	0	0	111	A174 M185 E186 L187 H193 F194 L203 L205 I259	A174-F190 HydrophobicContact CB-CD2 3.99Å; A174-F190 HydrophobicContact CB-CE2 4.35Å; M185-F190 HydrophobicContact CE-CB 4.09Å; M185-F190 HydrophobicContact CG-CB 4.32Å; M185-F190 HydrophobicContact SD-CB 3.9Å; M185-F190 HydrophobicContact SD-CD2 4Å; M185-F190 HydrophobicContact SD-CG 4.47Å; E186-F190 PolarHBondContact O-N 2.8Å; E186-F190 VanDerWaalsContact O-N 3.1Å; L187-F190 WeakPolarHBondContact O-CB 3.21Å; L187-F190 PolarHBondContact O-N 3.21Å; L187-F190 VanDerWaalsContact O-N 3.11Å; F190-H193 PolarHBondContact O-N 3.08Å; F190-F194 HydrophobicContact CE1-CD2 4.26Å; F190-F194 WeakPolarHBondContact O-CB 3.28Å; F190-F194 PolarHBondContact O-N 3.41Å; F190-L203 HydrophobicContact CD2-CB 4.24Å; F190-L203 HydrophobicContact CD2-CD1 4.2Å; F190-L203 HydrophobicContact CE2-CB 3.65Å; F190-L203 HydrophobicContact CE2-CD1 4.43Å; F190-L203 HydrophobicContact CZ-CB 4.48Å; F190-L205 HydrophobicContact CD1-CD2 4.24Å; F190-L205 HydrophobicContact CD2-CB 4.37Å; F190-L205 HydrophobicContact CE1-CB 3.97Å; F190-L205 HydrophobicContact CE1-CD2 4.29Å; F190-L205 HydrophobicContact CE2-CB 3.73Å; F190-L205 HydrophobicContact CZ-CB 3.52Å; F190-I259 HydrophobicContact CE1-CB 3.84Å; F190-I259 HydrophobicContact CE1-CG2 3.77Å; F190-I259 HydrophobicContact CZ-CB 4.38Å; F190-I259 HydrophobicContact CZ-CG2 4.49Å; F190-I259 WeakPolarHBondContact CZ-O 3.38Å
191	L	98	Very high	95.1	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-40	-179.5	-62	170.9	0	0	0	111.7	L159 G163 L187 H193 F194 D195 I259	L159-L191 HydrophobicContact CB-CD2 4.18Å; L159-L191 HydrophobicContact CD2-CD2 4.44Å; L159-L191 WeakPolarHBondContact O-CD1 3.07Å; G163-L191 VanDerWaalsContact CA-CD1 3.49Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CD2 4.24Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.44Å; L187-L191 HydrophobicContact CG-CD1 3.82Å; L187-L191 HydrophobicContact CG-CG 4.2Å; L187-L191 VanDerWaalsContact O-CG 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.31Å; L187-L191 PolarHBondContact O-N 3Å; L191-H193 PolarHBondContact O-N 3.05Å; L191-F194 WeakPolarHBondContact O-CB 3.46Å; L191-F194 PolarHBondContact O-N 3.4Å; L191-D195 PolarHBondContact O-N 2.83Å; L191-D195 VanDerWaalsContact O-N 3.08Å; L191-I259 HydrophobicContact CD2-CD1 3.64Å
192	S	96.1	Very high	95.2	Very high	80 Å²	80	63 Å²	63	56%	0.559	33%	0.333	S	S	*	.	H	α-helix	trans	-61	-45.3	174.9	-58.4	0	0	0	0	111.4	G188 K189 F194 D195 E196	G188-S192 WeakPolarHBondContact O-CB 3.07Å; G188-S192 PolarHBondContact O-N 3.26Å; G188-S192 PolarHBondContact O-OG 2.79Å; K189-S192 PolarHBondContact O-N 3.15Å; S192-F194 VanDerWaalsContact C-N 3.3Å; S192-F194 PolarHBondContact O-N 3.21Å; S192-D195 PolarHBondContact O-N 3.27Å; S192-E196 PolarHBondContact O-N 3.08Å
193	H	96.4	Very high	95.3	Very high	20 Å²	20	59.3 Å²	59.3	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-35.2	175.4	-178.6	68.4	0	0	0	112.2	K189 F190 L191 E196 S200 R201 L203 M261	K189-H193 WeakPolarHBondContact O-CB 3.25Å; K189-H193 PolarHBondContact O-N 2.67Å; F190-H193 PolarHBondContact O-N 3.08Å; L191-H193 PolarHBondContact O-N 3.05Å; H193-E196 IonicContact ND1-OE2 3.59Å; H193-E196 WeakPolarHBondContact O-CB 3.33Å; H193-E196 PolarHBondContact O-N 3.07Å; H193-S200 PolarHBondContact CE1-OG 3.21Å; H193-S200 VanDerWaalsContact CE1-OG 3.3Å; H193-R201 PolarHBondContact NE2-O 3.49Å; H193-L203 VanDerWaalsContact CD2-CD1 3.45Å; H193-L203 WeakPolarHBondContact CD2-CD1 3.45Å; H193-M261 WeakPolarHBondContact CD2-CE 3.44Å
194	F	97.5	Very high	95.6	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.066	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-40.7	174.7	-168.7	-77.7	0	0	0	112.3	L159 F190 L191 S192 E196 R199 I259 M261 D348	L159-F194 HydrophobicContact CD1-CD1 3.28Å; L159-F194 HydrophobicContact CD1-CE1 3.46Å; L159-F194 VanDerWaalsContact CD1-CE1 3.46Å; L159-F194 HydrophobicContact CD1-CG 3.94Å; L159-F194 HydrophobicContact CD1-CZ 4.22Å; F190-F194 HydrophobicContact CE1-CD2 4.26Å; F190-F194 WeakPolarHBondContact O-CB 3.28Å; F190-F194 PolarHBondContact O-N 3.41Å; L191-F194 WeakPolarHBondContact O-CB 3.46Å; L191-F194 PolarHBondContact O-N 3.4Å; S192-F194 VanDerWaalsContact C-N 3.3Å; S192-F194 PolarHBondContact O-N 3.21Å; F194-E196 PolarHBondContact O-N 3.34Å; F194-R199 PolarHBondContact O-NE 3.25Å; F194-R199 PolarHBondContact O-NH2 3.12Å; F194-I259 HydrophobicContact CD2-CG2 3.84Å; F194-I259 HydrophobicContact CE2-CG2 3.71Å; F194-I259 HydrophobicContact CZ-CG2 4.31Å; F194-M261 VanDerWaalsContact CA-CE 3.45Å; F194-M261 HydrophobicContact CB-CE 3.84Å; F194-M261 HydrophobicContact CD2-CE 3.86Å; F194-M261 HydrophobicContact CD2-CG 3.64Å; F194-M261 HydrophobicContact CE2-CG 3.84Å; F194-M261 HydrophobicContact CG-CE 4.2Å; F194-D348 HydrophobicContact CE1-CB 4.3Å; F194-D348 HydrophobicContact CZ-CB 3.74Å
195	D	95.4	Very high	95.8	Very high	110 Å²	110	50.4 Å²	50.4	59%	0.588	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.6	-178.2	-73.9	-17.9	0	0	0	113.8	L191 S192 A197	L191-D195 PolarHBondContact O-N 2.83Å; L191-D195 VanDerWaalsContact O-N 3.08Å; S192-D195 PolarHBondContact O-N 3.27Å; D195-A197 PolarHBondContact O-N 3.37Å
196	E	95.8	Very high	96	Very high	91 Å²	91	51.7 Å²	51.7	43%	0.425	28%	0.283	S	S	.	.			trans	-65.9	132.1	176.4	-65.8	-176.9	176.3	0	0	112.4	S192 H193 F194 K198 R199	S192-E196 PolarHBondContact O-N 3.08Å; H193-E196 IonicContact ND1-OE2 3.59Å; H193-E196 WeakPolarHBondContact O-CB 3.33Å; H193-E196 PolarHBondContact O-N 3.07Å; F194-E196 PolarHBondContact O-N 3.34Å; E196-K198 PolarHBondContact O-N 2.92Å; E196-R199 HydrophobicContact CB-CG 4.25Å; E196-R199 WeakPolarHBondContact O-CG 3.33Å
197	A	92.6	Very high	96	Very high	116 Å²	116	50.8 Å²	50.8	96%	0.959	29%	0.286	S	S	*	.	S	Bend	trans	-63.4	-27.6	176.8	0	0	0	0	0	113.4	D195	D195-A197 PolarHBondContact O-N 3.37Å
198	K	93.9	Very high	96	Very high	191 Å²	191	51 Å²	51	83%	0.83	29%	0.287	S	S	*	.	S	Bend	trans	-136.2	88.1	176.6	-172.6	-174.8	178.1	-176.6	0	109.6	E196	E196-K198 PolarHBondContact O-N 2.92Å
199	R	94.3	Very high	96	Very high	66 Å²	66	50.9 Å²	50.9	25%	0.249	28%	0.282	C	S	.	.			trans	-67.7	133.6	-179.8	-50.2	-177.1	-174	134	-1.2	110.7	F194 E196 R201 M261 D348	F194-R199 PolarHBondContact O-NE 3.25Å; F194-R199 PolarHBondContact O-NH2 3.12Å; E196-R199 HydrophobicContact CB-CG 4.25Å; E196-R199 WeakPolarHBondContact O-CG 3.33Å; R199-R201 VanDerWaalsContact C-N 3.32Å; R199-M261 WeakPolarHBondContact CD-SD 3.3Å; R199-D348 IonicContact CZ-OD1 3.32Å; R199-D348 IonicContact CZ-OD2 3.9Å; R199-D348 IonicContact NH1-OD1 2.78Å; R199-D348 PolarHBondContact NH1-OD1 3.09Å; R199-D348 IonicContact NH1-OD2 2.68Å; R199-D348 PolarHBondContact NH1-OD2 2.95Å; R199-D348 IonicContact NH2-OD1 3.54Å; R199-D348 IonicContact NH2-OD2 3.18Å; R199-D348 PolarHBondContact NH2-OD2 3.43Å
200	S	90.7	Very high	96.1	Very high	94 Å²	94	47.4 Å²	47.4	66%	0.657	27%	0.267	S	S	*	.	S	Bend	trans	-68	-30.4	174	60.6	0	0	0	0	113.2	H193	H193-S200 PolarHBondContact CE1-OG 3.21Å; H193-S200 VanDerWaalsContact CE1-OG 3.3Å
201	R	93.2	Very high	96	Very high	19 Å²	19	48.7 Å²	48.7	7%	0.072	28%	0.276	C	S	.	.	S	Bend	trans	-136.8	152.4	-179.5	-57.4	179.5	-167.7	-77.3	-14.8	110.9	I51 D52 D55 D176 H193 R199 L203	I51-R201 PolarHBondContact O-NH2 2.93Å; I51-R201 VanDerWaalsContact O-NH2 3.12Å; D52-R201 IonicContact OD1-CZ 2.66Å; D52-R201 IonicContact OD1-NE 3.84Å; D52-R201 PolarHBondContact OD1-NE 3.17Å; D52-R201 IonicContact OD1-NH2 3.74Å; D52-R201 PolarHBondContact OD1-NH2 3.27Å; D55-R201 IonicContact OD1-CZ 3.08Å; D55-R201 IonicContact OD1-NH1 2.85Å; D55-R201 PolarHBondContact OD1-NH1 2.89Å; D55-R201 IonicContact OD1-NH2 3.56Å; D55-R201 PolarHBondContact OD1-NH2 3.17Å; D55-R201 IonicContact OD2-CZ 3.62Å; D55-R201 IonicContact OD2-NH1 3.04Å; D55-R201 PolarHBondContact OD2-NH1 2.68Å; D55-R201 VanDerWaalsContact OD2-NH1 3.08Å; D55-R201 IonicContact OD2-NH2 2.84Å; D55-R201 PolarHBondContact OD2-NH2 2.91Å; D176-R201 IonicContact OD2-CZ 3.14Å; D176-R201 IonicContact OD2-NH1 2.65Å; D176-R201 PolarHBondContact OD2-NH1 3.28Å; D176-R201 VanDerWaalsContact OD2-NH1 3.1Å; H193-R201 PolarHBondContact NE2-O 3.49Å; R199-R201 VanDerWaalsContact C-N 3.32Å; R201-L203 HydrophobicContact CB-CD2 3.83Å; R201-L203 HydrophobicContact CB-CG 4.24Å
202	I	96.2	Very high	95.9	Very high	47 Å²	47	55.1 Å²	55.1	24%	0.241	31%	0.306	C	S	.	.			trans	-87.6	109.8	164.6	-56.4	177.7	0	0	0	106.9	V177 M261	V177-I202 HydrophobicContact CB-CB 4.26Å; V177-I202 HydrophobicContact CB-CG2 4.05Å; V177-I202 WeakPolarHBondContact CB-O 3.38Å; V177-I202 HydrophobicContact CG1-CG2 4.48Å; V177-I202 HydrophobicContact CG2-CG2 3.93Å; V177-I202 WeakPolarHBondContact CG2-O 3.4Å; V177-I202 PolarHBondContact N-O 3.18Å; V177-I202 VanDerWaalsContact N-O 3.09Å; I202-M261 HydrophobicContact CG2-CB 4.04Å
203	L	97.6	Very high	95.9	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.9	175.8	-54.3	-174.2	0	0	0	111	I175 D176 F183 M185 F190 H193 R201 M261	I175-L203 VanDerWaalsContact O-CA 3.27Å; I175-L203 WeakPolarHBondContact O-CA 3.43Å; D176-L203 HydrophobicContact CB-CD2 4.37Å; F183-L203 HydrophobicContact CE1-CD2 3.9Å; F183-L203 HydrophobicContact CZ-CD1 4.03Å; F183-L203 HydrophobicContact CZ-CD2 3.87Å; M185-L203 HydrophobicContact CE-CD1 4.48Å; M185-L203 HydrophobicContact SD-CD1 3.96Å; F190-L203 HydrophobicContact CD2-CB 4.24Å; F190-L203 HydrophobicContact CD2-CD1 4.2Å; F190-L203 HydrophobicContact CE2-CB 3.65Å; F190-L203 HydrophobicContact CE2-CD1 4.43Å; F190-L203 HydrophobicContact CZ-CB 4.48Å; H193-L203 VanDerWaalsContact CD2-CD1 3.45Å; H193-L203 WeakPolarHBondContact CD2-CD1 3.45Å; R201-L203 HydrophobicContact CB-CD2 3.83Å; R201-L203 HydrophobicContact CB-CG 4.24Å; L203-M261 HydrophobicContact CB-CE 4.03Å; L203-M261 HydrophobicContact CB-SD 4.04Å; L203-M261 HydrophobicContact CG-CE 4.49Å; L203-M261 PolarHBondContact N-SD 2.87Å; L203-M261 WeakPolarHBondContact O-CB 3.32Å; L203-M261 VanDerWaalsContact O-CG 3.26Å; L203-M261 WeakPolarHBondContact O-CG 2.96Å; L203-M261 PolarHBondContact O-N 3.19Å
204	N	98.5	Very high	96	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.6	175.1	-167.9	17.7	0	0	0	109.7	I175 V177 I206 S260 T266	I175-N204 HydrophobicContact CB-CB 4.31Å; I175-N204 PolarHBondContact N-O 2.91Å; I175-N204 PolarHBondContact O-N 3.11Å; V177-N204 HydrophobicContact CG2-CB 3.75Å; N204-I206 VanDerWaalsContact ND2-CG2 3.26Å; N204-I206 WeakPolarHBondContact ND2-CG2 3.43Å; N204-I206 WeakPolarHBondContact OD1-CG2 3.45Å; N204-S260 WeakPolarHBondContact OD1-CA 3.31Å; N204-S260 WeakPolarHBondContact OD1-CB 3.27Å; N204-S260 PolarHBondContact OD1-OG 3.34Å; N204-T266 PolarHBondContact ND2-OG1 3.19Å
205	L	98.5	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107.7	174.8	178.4	62.1	0	0	0	108.3	V172 D173 L187 F190 L208 L258 I259	V172-L205 HydrophobicContact CB-CD1 3.78Å; V172-L205 HydrophobicContact CG1-CD1 4.49Å; V172-L205 HydrophobicContact CG2-CD1 4.01Å; V172-L205 HydrophobicContact CG2-CD2 4.35Å; D173-L205 WeakPolarHBondContact O-CD1 3.43Å; L187-L205 HydrophobicContact CD1-CD2 3.92Å; F190-L205 HydrophobicContact CD1-CD2 4.24Å; F190-L205 HydrophobicContact CD2-CB 4.37Å; F190-L205 HydrophobicContact CE1-CB 3.97Å; F190-L205 HydrophobicContact CE1-CD2 4.29Å; F190-L205 HydrophobicContact CE2-CB 3.73Å; F190-L205 HydrophobicContact CZ-CB 3.52Å; L205-L208 HydrophobicContact CD1-CB 4.22Å; L205-L208 HydrophobicContact CD2-CB 3.96Å; L205-L208 HydrophobicContact CD2-CD2 4.05Å; L205-L208 HydrophobicContact CG-CB 4.01Å; L205-L258 CarbonylContact O-C 3.3Å; L205-L258 VanDerWaalsContact O-CA 3.27Å; L205-L258 WeakPolarHBondContact O-CA 3.41Å; L205-I259 HydrophobicContact CB-CB 4.43Å; L205-I259 HydrophobicContact CD2-CD1 4.33Å; L205-I259 PolarHBondContact N-O 3.29Å; L205-I259 PolarHBondContact O-N 3.16Å
206	I	97.7	Very high	96.1	Very high	45 Å²	45	50 Å²	50	23%	0.231	27%	0.274	C	S	.	.			trans	-116.6	-10.5	-174.7	65.4	177.2	0	0	0	113.9	I175 N204 L258 T266	I175-I206 HydrophobicContact CD1-CD1 3.56Å; I175-I206 HydrophobicContact CD1-CG1 3.74Å; N204-I206 VanDerWaalsContact ND2-CG2 3.26Å; N204-I206 WeakPolarHBondContact ND2-CG2 3.43Å; N204-I206 WeakPolarHBondContact OD1-CG2 3.45Å; I206-L258 HydrophobicContact CB-CD2 4Å; I206-L258 HydrophobicContact CB-CG 4.47Å; I206-L258 HydrophobicContact CG2-CD2 4.17Å; I206-T266 HydrophobicContact CD1-CG2 4.36Å
207	S	95.4	Very high	96.2	Very high	67 Å²	67	53.1 Å²	53.1	47%	0.469	29%	0.289	S	S	.	.			trans	-117.1	21.1	-172.1	-53.1	0	0	0	0	113.2	E209	S207-E209 PolarHBondContact O-N 3.06Å
208	L	98	Very high	96.5	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.259	C	S	.	.			trans	-77.7	93.1	175.4	173.5	66.8	0	0	0	109.7	V166 V172 L187 L205 V210 F256 C257	V166-L208 HydrophobicContact CG1-CD1 3.91Å; V166-L208 HydrophobicContact CG1-CD2 4.41Å; V172-L208 HydrophobicContact CG1-CD1 3.83Å; L187-L208 HydrophobicContact CD1-CD2 4.2Å; L187-L208 HydrophobicContact CD2-CD2 4.35Å; L205-L208 HydrophobicContact CD1-CB 4.22Å; L205-L208 HydrophobicContact CD2-CB 3.96Å; L205-L208 HydrophobicContact CD2-CD2 4.05Å; L205-L208 HydrophobicContact CG-CB 4.01Å; L208-V210 HydrophobicContact CD1-CG1 4.45Å; L208-V210 HydrophobicContact CD2-CG1 4.29Å; L208-V210 HydrophobicContact CG-CG1 3.86Å; L208-F256 CarbonylContact O-C 3.31Å; L208-F256 WeakPolarHBondContact O-CA 3.2Å; L208-C257 WeakPolarHBondContact CB-O 3.49Å; L208-C257 HydrophobicContact CD2-CB 4.13Å; L208-C257 HydrophobicContact CG-CB 4.43Å; L208-C257 PolarHBondContact O-N 3.12Å
209	E	97.3	Very high	96.7	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.075	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-71.8	130.5	172.7	-158.8	-58.4	129.4	0	0	109.6	R170 S207 S211 E252 K255 F256	R170-E209 PolarHBondContact NH1-O 3.49Å; R170-E209 PolarHBondContact NH2-O 3.24Å; S207-E209 PolarHBondContact O-N 3.06Å; E209-S211 VanDerWaalsContact CD-N 3.3Å; E209-S211 WeakPolarHBondContact OE1-CB 2.99Å; E209-S211 PolarHBondContact OE1-N 3.16Å; E209-S211 PolarHBondContact OE1-OG 3.29Å; E209-S211 PolarHBondContact OE2-N 3.38Å; E209-E252 HydrophobicContact CG-CB 3.99Å; E209-E252 WeakPolarHBondContact CG-O 3.24Å; E209-K255 WeakPolarHBondContact CA-O 3.48Å; E209-F256 HydrophobicContact CB-CD1 4.06Å; E209-F256 HydrophobicContact CB-CE1 3.76Å; E209-F256 HydrophobicContact CG-CD1 4.48Å; E209-F256 HydrophobicContact CG-CE1 4.01Å; E209-F256 HydrophobicContact CG-CZ 4.39Å
210	V	97.8	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.			trans	-124.5	5.8	-171.7	-62.6	0	0	0	0	114.5	V166 L208 Q212 T213 L215 G216 K255 C257	V166-V210 HydrophobicContact CG2-CG1 4.13Å; L208-V210 HydrophobicContact CD1-CG1 4.45Å; L208-V210 HydrophobicContact CD2-CG1 4.29Å; L208-V210 HydrophobicContact CG-CG1 3.86Å; V210-Q212 VanDerWaalsContact C-N 3.27Å; V210-Q212 PolarHBondContact O-N 3.23Å; V210-T213 PolarHBondContact O-N 3.27Å; V210-T213 VanDerWaalsContact O-N 3.08Å; V210-T213 PolarHBondContact O-OG1 3.09Å; V210-L215 HydrophobicContact CG1-CD2 4.12Å; V210-G216 WeakPolarHBondContact O-CA 3.33Å; V210-G216 PolarHBondContact O-N 3.36Å; V210-K255 HydrophobicContact CG2-CB 4.04Å; V210-K255 WeakPolarHBondContact CG2-O 3.36Å; V210-K255 PolarHBondContact N-O 3.35Å; V210-C257 HydrophobicContact CG1-CB 3.75Å; V210-C257 HydrophobicContact CG2-CB 4.34Å
211	S	95.5	Very high	97.2	Very high	27 Å²	27	37 Å²	37	19%	0.189	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.5	-174.2	-65.8	0	0	0	0	113.3	E209 T213	E209-S211 VanDerWaalsContact CD-N 3.3Å; E209-S211 WeakPolarHBondContact OE1-CB 2.99Å; E209-S211 PolarHBondContact OE1-N 3.16Å; E209-S211 PolarHBondContact OE1-OG 3.29Å; E209-S211 PolarHBondContact OE2-N 3.38Å; S211-T213 VanDerWaalsContact C-N 3.3Å; S211-T213 PolarHBondContact O-N 2.79Å
212	Q	94.3	Very high	97.5	Very high	144 Å²	144	36.1 Å²	36.1	67%	0.673	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	37	-179.6	-53.4	-60.2	-23.1	0	0	113.2	V210 E252	V210-Q212 VanDerWaalsContact C-N 3.27Å; V210-Q212 PolarHBondContact O-N 3.23Å; Q212-E252 WeakPolarHBondContact CG-OE1 3.15Å; Q212-E252 PolarHBondContact NE2-OE1 3.34Å
213	T	97.4	Very high	97.5	Very high	17 Å²	17	37.1 Å²	37.1	10%	0.104	19%	0.194	C	C	.	.	S	Bend	trans	-134.9	159.7	179.8	71.4	0	0	0	0	110.8	V166 V210 S211 L215 G216 E217	V166-T213 HydrophobicContact CG1-CG2 4.47Å; V210-T213 PolarHBondContact O-N 3.27Å; V210-T213 VanDerWaalsContact O-N 3.08Å; V210-T213 PolarHBondContact O-OG1 3.09Å; S211-T213 VanDerWaalsContact C-N 3.3Å; S211-T213 PolarHBondContact O-N 2.79Å; T213-L215 PolarHBondContact O-N 3.47Å; T213-L215 VanDerWaalsContact O-N 3.14Å; T213-L215 PolarHBondContact OG1-N 2.7Å; T213-G216 WeakPolarHBondContact O-CA 3.33Å; T213-G216 PolarHBondContact O-N 2.66Å; T213-G216 PolarHBondContact OG1-N 2.62Å; T213-E217 PolarHBondContact O-N 2.74Å; T213-E217 VanDerWaalsContact O-N 3.16Å
214	D	98.3	Very high	97.5	Very high	98 Å²	98	37.3 Å²	37.3	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-56.9	-30.7	174.5	-61.6	-7.6	0	0	0	111.4	L165 M218	L165-D214 HydrophobicContact CB-CB 4.34Å; L165-D214 HydrophobicContact CD2-CB 3.73Å; L165-D214 PolarHBondContact O-N 3.04Å; D214-M218 WeakPolarHBondContact O-CG 3.06Å
215	L	98.2	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-38.3	173.6	-173.9	66.2	0	0	0	112.1	P153 L157 L162 L165 V166 V210 T213 E217 M218 C257 Y352	P153-L215 HydrophobicContact CB-CD1 4.32Å; P153-L215 HydrophobicContact CG-CD1 3.79Å; L157-L215 HydrophobicContact CD2-CD1 3.79Å; L162-L215 HydrophobicContact CD1-CD2 4.3Å; L162-L215 HydrophobicContact CD2-CD2 4.01Å; L162-L215 HydrophobicContact CG-CD1 4.44Å; L162-L215 HydrophobicContact CG-CD2 3.74Å; L165-L215 HydrophobicContact CB-CB 3.91Å; L165-L215 HydrophobicContact CD1-CD1 3.95Å; V166-L215 HydrophobicContact CG2-CB 3.91Å; V166-L215 HydrophobicContact CG2-CD2 3.57Å; V166-L215 HydrophobicContact CG2-CG 4.41Å; V210-L215 HydrophobicContact CG1-CD2 4.12Å; T213-L215 PolarHBondContact O-N 3.47Å; T213-L215 VanDerWaalsContact O-N 3.14Å; T213-L215 PolarHBondContact OG1-N 2.7Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-M218 HydrophobicContact CD1-SD 4.43Å; L215-M218 WeakPolarHBondContact O-CB 3.32Å; L215-M218 PolarHBondContact O-N 3.06Å; L215-C257 HydrophobicContact CD2-CB 4.2Å; L215-Y352 HydrophobicContact CD2-CE1 4.27Å; L215-Y352 HydrophobicContact CG-CE1 4.39Å
216	G	97.7	Very high	97.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-31.3	177.8	0	0	0	0	0	113.3	V210 T213 M218 V219 K255	V210-G216 WeakPolarHBondContact O-CA 3.33Å; V210-G216 PolarHBondContact O-N 3.36Å; T213-G216 WeakPolarHBondContact O-CA 3.33Å; T213-G216 PolarHBondContact O-N 2.66Å; T213-G216 PolarHBondContact OG1-N 2.62Å; G216-M218 PolarHBondContact O-N 2.87Å; G216-V219 PolarHBondContact O-N 2.78Å; G216-V219 VanDerWaalsContact O-N 3.1Å; G216-K255 PolarHBondContact O-NZ 3.13Å; G216-K255 VanDerWaalsContact O-NZ 3.13Å
217	E	97.5	Very high	97.4	Very high	157 Å²	157	42.2 Å²	42.2	73%	0.734	21%	0.214	S	C	*	.	H	α-helix	trans	-64.1	-26.5	173	-62.7	-171.2	167	0	0	112.3	T213 L215 V219	T213-E217 PolarHBondContact O-N 2.74Å; T213-E217 VanDerWaalsContact O-N 3.16Å; L215-E217 VanDerWaalsContact C-N 3.32Å; E217-V219 VanDerWaalsContact C-N 3.28Å
218	M	98.1	Very high	97.4	Very high	66 Å²	66	39.5 Å²	39.5	33%	0.325	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8	175.6	-59.8	177.5	70.3	0	0	113.6	P153 L165 D214 L215 G216	P153-M218 HydrophobicContact CB-CE 4.04Å; P153-M218 HydrophobicContact CG-CB 3.86Å; P153-M218 HydrophobicContact CG-CE 4.47Å; L165-M218 HydrophobicContact CD1-SD 3.91Å; D214-M218 WeakPolarHBondContact O-CG 3.06Å; L215-M218 HydrophobicContact CD1-SD 4.43Å; L215-M218 WeakPolarHBondContact O-CB 3.32Å; L215-M218 PolarHBondContact O-N 3.06Å; G216-M218 PolarHBondContact O-N 2.87Å
219	V	98.4	Very high	97.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.194	C	C	.	.			trans	-105.7	125.4	-179	178.2	0	0	0	0	109.3	T151 L152 P153 G216 E217 K255 W278 Y352	T151-V219 CarbonylContact O-C 3.53Å; T151-V219 WeakPolarHBondContact O-CA 3.48Å; L152-V219 HydrophobicContact CD2-CG1 4.24Å; P153-V219 HydrophobicContact CG-CG2 4.05Å; G216-V219 PolarHBondContact O-N 2.78Å; G216-V219 VanDerWaalsContact O-N 3.1Å; E217-V219 VanDerWaalsContact C-N 3.28Å; V219-K255 HydrophobicContact CB-CD 4.2Å; V219-K255 HydrophobicContact CG1-CD 4.25Å; V219-K255 HydrophobicContact CG1-CG 4.19Å; V219-K255 WeakPolarHBondContact O-CE 3.03Å; V219-K255 PolarHBondContact O-NZ 2.79Å; V219-W278 HydrophobicContact CG1-CH2 3.88Å; V219-W278 HydrophobicContact CG1-CZ2 4.33Å; V219-Y352 HydrophobicContact CG2-CD1 3.8Å; V219-Y352 HydrophobicContact CG2-CE1 4.08Å; V219-Y352 HydrophobicContact CG2-CG 4.39Å
220	T	98.1	Very high	97.4	Very high	49 Å²	49	42.2 Å²	42.2	30%	0.301	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-120.5	118.8	165.8	-57.7	0	0	0	0	108.2	L150 T151	L150-T220 WeakPolarHBondContact CA-O 3.05Å; L150-T220 WeakPolarHBondContact CD1-O 3.45Å; T151-T220 PolarHBondContact N-O 2.76Å; T151-T220 PolarHBondContact O-N 2.75Å
221	E	98.1	Very high	97.3	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.056	21%	0.214	C	C	.	.			trans	-60.2	154.9	178.6	-56.4	92.1	147.7	0	0	111.3	E223 V225 R226 S254 K255 W278	E221-E223 PolarHBondContact O-N 3.14Å; E221-V225 HydrophobicContact CB-CG1 4.48Å; E221-R226 HydrophobicContact CB-CG 4Å; E221-R226 PolarHBondContact O-NE 2.86Å; E221-S254 VanDerWaalsContact OE1-CB 3.25Å; E221-S254 WeakPolarHBondContact OE1-CB 3.48Å; E221-S254 PolarHBondContact OE1-OG 2.89Å; E221-K255 HydrophobicContact CG-CG 4.41Å; E221-K255 WeakPolarHBondContact OE1-CE 3.34Å; E221-K255 WeakPolarHBondContact OE1-CG 3.14Å; E221-K255 WeakPolarHBondContact OE2-CE 3.37Å; E221-K255 IonicContact OE2-NZ 3.5Å; E221-W278 HydrophobicContact CB-CZ2 4.29Å; E221-W278 HydrophobicContact CG-CZ2 3.64Å
222	P	98.3	Very high	97.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	22%	0.223	C	C	.	.			trans	-50.9	140	177	-25.4	34.6	0	0	0	111.7	L148 L150 I224 V225 R226 W278	L148-P222 HydrophobicContact CB-CB 4.4Å; L148-P222 CarbonylContact O-C 3.52Å; L148-P222 VanDerWaalsContact O-CA 3.23Å; L148-P222 WeakPolarHBondContact O-CA 3.3Å; L150-P222 HydrophobicContact CB-CG 4.38Å; L150-P222 HydrophobicContact CD1-CG 4.21Å; L150-P222 HydrophobicContact CD2-CG 4.47Å; P222-I224 HydrophobicContact CB-CG2 4.28Å; P222-I224 PolarHBondContact O-N 2.96Å; P222-V225 HydrophobicContact CB-CG2 4.03Å; P222-V225 HydrophobicContact CG-CG2 4.17Å; P222-V225 WeakPolarHBondContact O-CB 3.36Å; P222-V225 PolarHBondContact O-N 3.2Å; P222-R226 PolarHBondContact O-N 2.9Å; P222-W278 HydrophobicContact CG-CB 4.34Å; P222-W278 HydrophobicContact CG-CD2 4.42Å; P222-W278 HydrophobicContact CG-CE3 4.41Å; P222-W278 HydrophobicContact CG-CG 4.41Å
223	E	97.7	Very high	97.2	Very high	69 Å²	69	43 Å²	43	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-54.6	-43.5	-174.6	168.6	166.9	-152.3	0	0	112.2	L148 E149 E221 V225 R226 Q227	L148-E223 PolarHBondContact O-N 3.43Å; E149-E223 HydrophobicContact CB-CB 3.73Å; E149-E223 HydrophobicContact CG-CB 4.19Å; E149-E223 WeakPolarHBondContact CG-OE2 3.3Å; E221-E223 PolarHBondContact O-N 3.14Å; E223-V225 VanDerWaalsContact C-N 3.25Å; E223-V225 PolarHBondContact O-N 2.93Å; E223-R226 PolarHBondContact O-N 2.88Å; E223-R226 VanDerWaalsContact O-N 3.15Å; E223-Q227 HydrophobicContact CG-CG 4.05Å; E223-Q227 VanDerWaalsContact CG-NE2 3.33Å; E223-Q227 VanDerWaalsContact O-CG 3.31Å; E223-Q227 WeakPolarHBondContact O-CG 3.41Å; E223-Q227 PolarHBondContact O-N 3.45Å; E223-Q227 PolarHBondContact OE1-NE2 3.15Å
224	I	96.7	Very high	97.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-33.1	179.2	-165.1	55.3	0	0	0	113.4	F126 L128 F131 P222 Q227 I228 L334	F126-I224 HydrophobicContact CD1-CB 4.36Å; F126-I224 HydrophobicContact CD1-CG1 4.33Å; F126-I224 HydrophobicContact CD1-CG2 3.98Å; F126-I224 HydrophobicContact CE1-CB 4.1Å; F126-I224 HydrophobicContact CE1-CG1 3.82Å; F126-I224 HydrophobicContact CE1-CG2 3.57Å; L128-I224 HydrophobicContact CD2-CD1 3.92Å; L128-I224 HydrophobicContact CG-CD1 4.14Å; F131-I224 HydrophobicContact CD2-CD1 4.27Å; F131-I224 HydrophobicContact CE2-CD1 3.58Å; F131-I224 HydrophobicContact CE2-CG1 3.63Å; F131-I224 HydrophobicContact CZ-CG1 4.08Å; P222-I224 HydrophobicContact CB-CG2 4.28Å; P222-I224 PolarHBondContact O-N 2.96Å; I224-Q227 PolarHBondContact O-N 3.16Å; I224-I228 HydrophobicContact CD1-CG2 4.39Å; I224-I228 VanDerWaalsContact O-CG1 3.26Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 WeakPolarHBondContact O-CG2 3.31Å; I224-I228 PolarHBondContact O-N 3.07Å; I224-L334 HydrophobicContact CG2-CD1 4.36Å
225	V	97.8	Very high	96.7	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-49.2	175.9	172.8	0	0	0	0	109.4	E221 P222 E223 Q227 I228 S229 W278 L334 F356	E221-V225 HydrophobicContact CB-CG1 4.48Å; P222-V225 HydrophobicContact CB-CG2 4.03Å; P222-V225 HydrophobicContact CG-CG2 4.17Å; P222-V225 WeakPolarHBondContact O-CB 3.36Å; P222-V225 PolarHBondContact O-N 3.2Å; E223-V225 VanDerWaalsContact C-N 3.25Å; E223-V225 PolarHBondContact O-N 2.93Å; V225-Q227 PolarHBondContact O-N 3.13Å; V225-I228 PolarHBondContact O-N 3.5Å; V225-I228 VanDerWaalsContact O-N 3.16Å; V225-S229 WeakPolarHBondContact O-CB 3Å; V225-S229 PolarHBondContact O-N 3Å; V225-W278 HydrophobicContact CG2-CB 4.07Å; V225-W278 HydrophobicContact CG2-CG 4.28Å; V225-L334 HydrophobicContact CG2-CD2 4.13Å; V225-F356 HydrophobicContact CB-CE1 4.47Å; V225-F356 HydrophobicContact CG1-CB 4.17Å; V225-F356 HydrophobicContact CG1-CD1 3.57Å; V225-F356 HydrophobicContact CG1-CD2 4.17Å; V225-F356 HydrophobicContact CG1-CE1 3.93Å; V225-F356 HydrophobicContact CG1-CE2 4.48Å; V225-F356 HydrophobicContact CG1-CG 3.71Å; V225-F356 HydrophobicContact CG1-CZ 4.37Å; V225-F356 HydrophobicContact CG2-CD1 4.32Å; V225-F356 HydrophobicContact CG2-CE1 3.8Å; V225-F356 HydrophobicContact CG2-CE2 4.5Å; V225-F356 HydrophobicContact CG2-CZ 3.91Å
226	R	97.2	Very high	96	Very high	82 Å²	82	51.2 Å²	51.2	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-30.6	178.2	-62.2	-176.1	-70.5	102.5	-3.2	112.6	E221 P222 E223 I228 D232	E221-R226 HydrophobicContact CB-CG 4Å; E221-R226 PolarHBondContact O-NE 2.86Å; P222-R226 PolarHBondContact O-N 2.9Å; E223-R226 PolarHBondContact O-N 2.88Å; E223-R226 VanDerWaalsContact O-N 3.15Å; R226-I228 VanDerWaalsContact C-N 3.35Å; R226-D232 WeakPolarHBondContact O-CB 3.45Å
227	Q	97.1	Very high	94.9	Very high	66 Å²	66	58.1 Å²	58.1	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-76.2	-17.5	178.8	-74.3	178.2	-9.3	0	0	114.1	L128 E223 I224 V225	L128-Q227 HydrophobicContact CD2-CB 4.36Å; E223-Q227 HydrophobicContact CG-CG 4.05Å; E223-Q227 VanDerWaalsContact CG-NE2 3.33Å; E223-Q227 VanDerWaalsContact O-CG 3.31Å; E223-Q227 WeakPolarHBondContact O-CG 3.41Å; E223-Q227 PolarHBondContact O-N 3.45Å; E223-Q227 PolarHBondContact OE1-NE2 3.15Å; I224-Q227 PolarHBondContact O-N 3.16Å; V225-Q227 PolarHBondContact O-N 3.13Å
228	I	96.8	Very high	93.5	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.046	27%	0.267	C	S	.	.	H	α-helix	trans	-123.9	-15.1	-173.7	73.9	-174.3	0	0	0	113.9	L128 F131 I224 V225 R226 W230 F356 H358 Y360	L128-I228 HydrophobicContact CD2-CG2 3.74Å; F131-I228 HydrophobicContact CE2-CD1 4.08Å; F131-I228 HydrophobicContact CE2-CG2 4.37Å; F131-I228 HydrophobicContact CZ-CD1 4.16Å; I224-I228 HydrophobicContact CD1-CG2 4.39Å; I224-I228 VanDerWaalsContact O-CG1 3.26Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 WeakPolarHBondContact O-CG2 3.31Å; I224-I228 PolarHBondContact O-N 3.07Å; V225-I228 PolarHBondContact O-N 3.5Å; V225-I228 VanDerWaalsContact O-N 3.16Å; R226-I228 VanDerWaalsContact C-N 3.35Å; I228-W230 PolarHBondContact O-N 3.32Å; I228-F356 HydrophobicContact CD1-CE2 3.85Å; I228-F356 HydrophobicContact CG1-CD2 4.25Å; I228-F356 HydrophobicContact CG1-CE2 4.06Å; I228-H358 HydrophobicContact CB-CB 4.24Å; I228-H358 HydrophobicContact CD1-CB 4.37Å; I228-H358 HydrophobicContact CG1-CB 4.03Å; I228-H358 VanDerWaalsContact O-CB 3.31Å; I228-H358 WeakPolarHBondContact O-CB 2.83Å; I228-Y360 HydrophobicContact CB-CE2 4.18Å; I228-Y360 HydrophobicContact CD1-CE2 4.41Å; I228-Y360 HydrophobicContact CG2-CE2 3.86Å
229	S	97.5	Very high	91.9	Very high	4 Å²	4	55 Å²	55	3%	0.028	26%	0.263	C	S	.	.			trans	-61.8	126.5	177.5	164.9	0	0	0	0	111.4	V225 V231 D232 L233 L357	V225-S229 WeakPolarHBondContact O-CB 3Å; V225-S229 PolarHBondContact O-N 3Å; S229-V231 VanDerWaalsContact C-N 3.26Å; S229-V231 PolarHBondContact O-N 2.56Å; S229-V231 PolarHBondContact OG-N 3.12Å; S229-D232 WeakPolarHBondContact CB-OD2 3.47Å; S229-D232 PolarHBondContact O-N 2.63Å; S229-D232 PolarHBondContact OG-N 2.88Å; S229-D232 PolarHBondContact OG-OD2 2.84Å; S229-L233 WeakPolarHBondContact O-CB 3.26Å; S229-L233 VanDerWaalsContact O-CG 3.24Å; S229-L233 WeakPolarHBondContact O-CG 3.42Å; S229-L233 PolarHBondContact O-N 3.49Å; S229-L357 CarbonylContact C-O 3.56Å; S229-L357 WeakPolarHBondContact CA-O 3.3Å
230	W	97.2	Very high	90.3	Very high	72 Å²	72	59.6 Å²	59.6	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-30.5	176.8	-75.7	-0.7	0	0	0	113.4	I228 Y234 W235 L357 H358 S359 I362	I228-W230 PolarHBondContact O-N 3.32Å; W230-Y234 HydrophobicContact CB-CD2 4.01Å; W230-Y234 AromaticContact CD1-CD2 3.71Å; W230-Y234 AromaticContact CD1-CE2 3.44Å; W230-Y234 VanDerWaalsContact CD1-CE2 3.44Å; W230-Y234 AromaticContact CG-CD2 3.91Å; W230-Y234 HydrophobicContact CG-CD2 3.91Å; W230-Y234 HydrophobicContact CG-CE2 4.11Å; W230-Y234 AromaticContact NE1-CE2 3.84Å; W230-Y234 WeakPolarHBondContact O-CA 3.21Å; W230-Y234 WeakPolarHBondContact O-CB 3.35Å; W230-Y234 PolarHBondContact O-N 2.88Å; W230-W235 PolarHBondContact O-N 3.26Å; W230-L357 HydrophobicContact CB-CB 4.31Å; W230-L357 HydrophobicContact CD2-CB 3.97Å; W230-L357 HydrophobicContact CE3-CB 3.69Å; W230-L357 HydrophobicContact CE3-CD1 4.01Å; W230-L357 HydrophobicContact CE3-CG 4.47Å; W230-L357 HydrophobicContact CG-CB 4.24Å; W230-L357 HydrophobicContact CZ3-CB 4.35Å; W230-L357 HydrophobicContact CZ3-CD1 4.33Å; W230-L357 PolarHBondContact N-O 3.43Å; W230-H358 VanDerWaalsContact NE1-C 3.31Å; W230-S359 PolarHBondContact NE1-OG 2.85Å; W230-I362 HydrophobicContact CH2-CG1 4.3Å; W230-I362 HydrophobicContact CH2-CG2 4.34Å; W230-I362 HydrophobicContact CZ2-CD1 4.03Å; W230-I362 HydrophobicContact CZ2-CG1 3.86Å
231	V	94.9	Very high	88.4	Confident	36 Å²	36	63.9 Å²	63.9	22%	0.218	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-47.1	176.2	177.5	0	0	0	0	109.2	S229 L233 W235 T250 P251	S229-V231 VanDerWaalsContact C-N 3.26Å; S229-V231 PolarHBondContact O-N 2.56Å; S229-V231 PolarHBondContact OG-N 3.12Å; V231-L233 PolarHBondContact O-N 2.6Å; V231-W235 HydrophobicContact CG1-CB 4.16Å; V231-W235 WeakPolarHBondContact O-CB 3.09Å; V231-W235 PolarHBondContact O-N 2.96Å; V231-T250 HydrophobicContact CG1-CG2 3.74Å; V231-P251 HydrophobicContact CG2-CB 4.27Å; V231-P251 HydrophobicContact CG2-CG 4.16Å
232	D	94.2	Very high	86.6	Confident	70 Å²	70	68.8 Å²	68.8	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-67.4	-36.3	178.9	-65.3	-78.5	0	0	0	112.9	R226 S229	R226-D232 WeakPolarHBondContact O-CB 3.45Å; S229-D232 WeakPolarHBondContact CB-OD2 3.47Å; S229-D232 PolarHBondContact O-N 2.63Å; S229-D232 PolarHBondContact OG-N 2.88Å; S229-D232 PolarHBondContact OG-OD2 2.84Å
233	L	94.9	Very high	84.9	Confident	83 Å²	83	77.1 Å²	77.1	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-85.6	-34.8	-175.1	-68.3	176.6	0	0	0	114.2	S229 V231	S229-L233 WeakPolarHBondContact O-CB 3.26Å; S229-L233 VanDerWaalsContact O-CG 3.24Å; S229-L233 WeakPolarHBondContact O-CG 3.42Å; S229-L233 PolarHBondContact O-N 3.49Å; V231-L233 PolarHBondContact O-N 2.6Å
234	Y	93.5	Very high	83.4	Confident	151 Å²	151	76.3 Å²	76.3	59%	0.592	39%	0.389	S	S	*	.	H	α-helix	trans	-130.5	-10.6	-162.9	-50.7	-51.4	0	0	0	114.5	W230	W230-Y234 HydrophobicContact CB-CD2 4.01Å; W230-Y234 AromaticContact CD1-CD2 3.71Å; W230-Y234 AromaticContact CD1-CE2 3.44Å; W230-Y234 VanDerWaalsContact CD1-CE2 3.44Å; W230-Y234 AromaticContact CG-CD2 3.91Å; W230-Y234 HydrophobicContact CG-CD2 3.91Å; W230-Y234 HydrophobicContact CG-CE2 4.11Å; W230-Y234 AromaticContact NE1-CE2 3.84Å; W230-Y234 WeakPolarHBondContact O-CA 3.21Å; W230-Y234 WeakPolarHBondContact O-CB 3.35Å; W230-Y234 PolarHBondContact O-N 2.88Å
235	W	90.6	Very high	82	Confident	66 Å²	66	81.7 Å²	81.7	25%	0.25	43%	0.428	C	S	.	.			trans	-71.9	128.4	179.8	-164.2	-93.1	0	0	0	111.4	W230 V231 H237 L249 T250 P251	W230-W235 PolarHBondContact O-N 3.26Å; V231-W235 HydrophobicContact CG1-CB 4.16Å; V231-W235 WeakPolarHBondContact O-CB 3.09Å; V231-W235 PolarHBondContact O-N 2.96Å; W235-H237 PolarHBondContact O-N 2.82Å; W235-H237 VanDerWaalsContact O-N 3.12Å; W235-L249 WeakPolarHBondContact CZ2-O 3.25Å; W235-T250 HydrophobicContact CG-CG2 4.21Å; W235-T250 VanDerWaalsContact NE1-CA 3.31Å; W235-T250 PolarHBondContact NE1-OG1 2.98Å; W235-P251 HydrophobicContact CE3-CG 4.06Å; W235-P251 HydrophobicContact CH2-CG 4.07Å; W235-P251 HydrophobicContact CZ3-CG 3.8Å
236	P	84.5	Confident	80.7	Confident	69 Å²	69	84.8 Å²	84.8	45%	0.448	45%	0.446	S	S	.	.			trans	-74.2	108.3	-176.9	28.1	-32.8	0	0	0	111.2	Q239	P236-Q239 HydrophobicContact CB-CG 4.33Å; P236-Q239 HydrophobicContact CG-CG 4.4Å; P236-Q239 PolarHBondContact O-NE2 3Å
237	H	73.7	Confident	79.5	Confident	146 Å²	146	86 Å²	86	68%	0.676	46%	0.463	S	S	*	.	S	Bend	trans	-79.4	-26.5	176.9	-65.4	-64.4	0	0	0	114	W235	W235-H237 PolarHBondContact O-N 2.82Å; W235-H237 VanDerWaalsContact O-N 3.12Å
238	D	68.1	Low	78.7	Confident	109 Å²	109	89.9 Å²	89.9	58%	0.583	48%	0.476	S	S	*	.			trans	-109.1	87.6	176.8	-171	2.9	0	0	0	110.5	S240	D238-S240 VanDerWaalsContact C-N 3.31Å; D238-S240 VanDerWaalsContact OD1-CB 3.3Å; D238-S240 WeakPolarHBondContact OD1-CB 2.94Å; D238-S240 PolarHBondContact OD1-N 3.25Å; D238-S240 VanDerWaalsContact OD1-N 3.12Å; D238-S240 PolarHBondContact OD1-OG 3.1Å
239	Q	65	Low	78.1	Confident	50 Å²	50	96.8 Å²	96.8	23%	0.234	51%	0.512	C	S	.	.			trans	-90.5	6	174.2	-63.3	-179.4	33.6	0	0	112.2	P236 N241 D242 T247 Y248	P236-Q239 HydrophobicContact CB-CG 4.33Å; P236-Q239 HydrophobicContact CG-CG 4.4Å; P236-Q239 PolarHBondContact O-NE2 3Å; Q239-N241 VanDerWaalsContact C-N 3.28Å; Q239-N241 PolarHBondContact O-N 2.84Å; Q239-D242 PolarHBondContact O-N 3.04Å; Q239-T247 VanDerWaalsContact OE1-CA 3.24Å; Q239-Y248 PolarHBondContact NE2-O 2.8Å
240	S	63.9	Low	77.6	Confident	96 Å²	96	99.2 Å²	99.2	67%	0.671	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21	-173.4	71.1	0	0	0	0	114.1	D238	D238-S240 VanDerWaalsContact C-N 3.31Å; D238-S240 VanDerWaalsContact OD1-CB 3.3Å; D238-S240 WeakPolarHBondContact OD1-CB 2.94Å; D238-S240 PolarHBondContact OD1-N 3.25Å; D238-S240 VanDerWaalsContact OD1-N 3.12Å; D238-S240 PolarHBondContact OD1-OG 3.1Å
241	N	58.4	Low	77.4	Confident	140 Å²	140	98.2 Å²	98.2	75%	0.749	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.6	-177.5	-78.3	-41.9	0	0	0	114.4	Q239	Q239-N241 VanDerWaalsContact C-N 3.28Å; Q239-N241 PolarHBondContact O-N 2.84Å
242	D	60.3	Low	77.3	Confident	115 Å²	115	100.9 Å²	100.9	62%	0.615	54%	0.539	S	S	*	.			trans	-91.8	122.3	-179.9	-153.4	-12.2	0	0	0	110.1	Q239 S244	Q239-D242 PolarHBondContact O-N 3.04Å; D242-S244 PolarHBondContact O-N 2.84Å; D242-S244 PolarHBondContact OD1-N 2.86Å
243	N	63.2	Low	77.3	Confident	175 Å²	175	99.2 Å²	99.2	94%	0.936	53%	0.532	S	S	*	.			trans	-69.5	7.1	174.6	-82.8	-28.2	0	0	0	112.5
244	S	65.3	Low	77.3	Confident	52 Å²	52	96.7 Å²	96.7	36%	0.364	52%	0.521	S	S	.	.			trans	-62.3	125.2	168	163.4	0	0	0	0	110.6	D242 V246	D242-S244 PolarHBondContact O-N 2.84Å; D242-S244 PolarHBondContact OD1-N 2.86Å; S244-V246 PolarHBondContact O-N 2.5Å; S244-V246 VanDerWaalsContact O-N 3.15Å; S244-V246 PolarHBondContact OG-N 2.95Å; S244-V246 VanDerWaalsContact OG-N 3.16Å; S244-V246 PolarHBondContact OG-O 2.96Å; S244-V246 VanDerWaalsContact OG-O 3.07Å
245	S	68.8	Low	77.6	Confident	122 Å²	122	91.1 Å²	91.1	85%	0.853	50%	0.5	S	S	*	.	S	Bend	trans	-72.1	2.1	172.9	64.4	0	0	0	0	113.6
246	V	70.2	Confident	77.9	Confident	67 Å²	67	89.2 Å²	89.2	41%	0.406	49%	0.493	S	S	.	.			trans	-115.7	109.7	-174.4	-174.6	0	0	0	0	108.8	S244 Y248	S244-V246 PolarHBondContact O-N 2.5Å; S244-V246 VanDerWaalsContact O-N 3.15Å; S244-V246 PolarHBondContact OG-N 2.95Å; S244-V246 VanDerWaalsContact OG-N 3.16Å; S244-V246 PolarHBondContact OG-O 2.96Å; S244-V246 VanDerWaalsContact OG-O 3.07Å; V246-Y248 HydrophobicContact CB-CE2 4.42Å; V246-Y248 HydrophobicContact CG1-CD1 4.32Å; V246-Y248 HydrophobicContact CG1-CD2 4.34Å; V246-Y248 HydrophobicContact CG1-CE1 3.91Å; V246-Y248 HydrophobicContact CG1-CE2 3.92Å
247	T	71.5	Confident	78.6	Confident	107 Å²	107	85.9 Å²	85.9	66%	0.656	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-88.5	120.3	167.3	-50.4	0	0	0	0	108.2	Q239	Q239-T247 VanDerWaalsContact OE1-CA 3.24Å
248	Y	79.9	Confident	79.8	Confident	148 Å²	148	79.7 Å²	79.7	58%	0.58	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-89.3	124.8	173.7	-64.6	-81.3	0	0	0	109.3	Q239 V246	Q239-Y248 PolarHBondContact NE2-O 2.8Å; V246-Y248 HydrophobicContact CB-CE2 4.42Å; V246-Y248 HydrophobicContact CG1-CD1 4.32Å; V246-Y248 HydrophobicContact CG1-CD2 4.34Å; V246-Y248 HydrophobicContact CG1-CE1 3.91Å; V246-Y248 HydrophobicContact CG1-CE2 3.92Å
249	L	84.3	Confident	81.2	Confident	154 Å²	154	74.5 Å²	74.5	81%	0.806	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-72	134.4	175	-64.9	173.9	0	0	0	110.2	W235	W235-L249 WeakPolarHBondContact CZ2-O 3.25Å
250	T	87.6	Confident	82.8	Confident	56 Å²	56	72.2 Å²	72.2	34%	0.344	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-55.1	131.7	173	-50	0	0	0	0	110.1	V231 W235 E252	V231-T250 HydrophobicContact CG1-CG2 3.74Å; W235-T250 HydrophobicContact CG-CG2 4.21Å; W235-T250 VanDerWaalsContact NE1-CA 3.31Å; W235-T250 PolarHBondContact NE1-OG1 2.98Å; T250-E252 PolarHBondContact O-N 2.73Å; T250-E252 VanDerWaalsContact O-N 3.16Å
251	P	92.2	Very high	84.5	Confident	51 Å²	51	67.6 Å²	67.6	33%	0.331	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-61.9	117	174.3	-22.7	33.6	0	0	0	110.8	V231 W235 V253	V231-P251 HydrophobicContact CG2-CB 4.27Å; V231-P251 HydrophobicContact CG2-CG 4.16Å; W235-P251 HydrophobicContact CE3-CG 4.06Å; W235-P251 HydrophobicContact CH2-CG 4.07Å; W235-P251 HydrophobicContact CZ3-CG 3.8Å; P251-V253 HydrophobicContact CB-CG2 4.4Å; P251-V253 PolarHBondContact O-N 3.18Å
252	E	92.6	Very high	86.3	Confident	91 Å²	91	62.9 Å²	62.9	43%	0.425	35%	0.353	S	S	.	.			trans	-93.2	80.8	179.6	-63.3	-176.2	160.3	0	0	109.3	E209 Q212 T250	E209-E252 HydrophobicContact CG-CB 3.99Å; E209-E252 WeakPolarHBondContact CG-O 3.24Å; Q212-E252 WeakPolarHBondContact CG-OE1 3.15Å; Q212-E252 PolarHBondContact NE2-OE1 3.34Å; T250-E252 PolarHBondContact O-N 2.73Å; T250-E252 VanDerWaalsContact O-N 3.16Å
253	V	95.1	Very high	88.1	Confident	35 Å²	35	58 Å²	58	21%	0.212	33%	0.331	C	S	.	.			trans	-138.2	3.4	-178	-64.8	0	0	0	0	113.3	P251 F256 F272 N355	P251-V253 HydrophobicContact CB-CG2 4.4Å; P251-V253 PolarHBondContact O-N 3.18Å; V253-F256 HydrophobicContact CB-CE2 4.13Å; V253-F256 HydrophobicContact CB-CZ 4.3Å; V253-F256 HydrophobicContact CG1-CZ 4.34Å; V253-F256 WeakPolarHBondContact O-CE2 3.45Å; V253-F272 HydrophobicContact CB-CE2 4.05Å; V253-F272 HydrophobicContact CB-CZ 3.83Å; V253-F272 HydrophobicContact CG1-CE2 3.79Å; V253-F272 HydrophobicContact CG1-CZ 3.72Å; V253-F272 HydrophobicContact CG2-CE2 4.32Å; V253-N355 HydrophobicContact CB-CB 4.42Å; V253-N355 PolarHBondContact O-N 3.1Å
254	S	95.5	Very high	89.8	Confident	30 Å²	30	49.7 Å²	49.7	21%	0.21	29%	0.286	C	S	.	.	S	Bend	trans	-86.5	-16.8	-174.2	74.1	0	0	0	0	113.7	E221 W278 G354	E221-S254 VanDerWaalsContact OE1-CB 3.25Å; E221-S254 WeakPolarHBondContact OE1-CB 3.48Å; E221-S254 PolarHBondContact OE1-OG 2.89Å; S254-W278 WeakPolarHBondContact O-CZ2 3.27Å; S254-W278 PolarHBondContact O-NE1 2.94Å; S254-G354 VanDerWaalsContact O-CA 3.32Å; S254-G354 WeakPolarHBondContact O-CA 3.49Å
255	K	98	Very high	91.3	Very high	35 Å²	35	47.3 Å²	47.3	15%	0.152	27%	0.269	C	S	.	.			trans	-137.6	101.9	-177.7	-58.6	176.4	-175.7	-173.6	0	112	E209 V210 G216 V219 E221 G353	E209-K255 WeakPolarHBondContact CA-O 3.48Å; V210-K255 HydrophobicContact CG2-CB 4.04Å; V210-K255 WeakPolarHBondContact CG2-O 3.36Å; V210-K255 PolarHBondContact N-O 3.35Å; G216-K255 PolarHBondContact O-NZ 3.13Å; G216-K255 VanDerWaalsContact O-NZ 3.13Å; V219-K255 HydrophobicContact CB-CD 4.2Å; V219-K255 HydrophobicContact CG1-CD 4.25Å; V219-K255 HydrophobicContact CG1-CG 4.19Å; V219-K255 WeakPolarHBondContact O-CE 3.03Å; V219-K255 PolarHBondContact O-NZ 2.79Å; E221-K255 HydrophobicContact CG-CG 4.41Å; E221-K255 WeakPolarHBondContact OE1-CE 3.34Å; E221-K255 WeakPolarHBondContact OE1-CG 3.14Å; E221-K255 WeakPolarHBondContact OE2-CE 3.37Å; E221-K255 IonicContact OE2-NZ 3.5Å; K255-G353 CarbonylContact C-O 3.58Å; K255-G353 WeakPolarHBondContact CA-O 3.36Å
256	F	98.5	Very high	92.7	Very high	25 Å²	25	42.8 Å²	42.8	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.9	169.7	-67.7	-77.4	0	0	0	111.3	L208 E209 V253 L258 F272 Y352 G353	L208-F256 CarbonylContact O-C 3.31Å; L208-F256 WeakPolarHBondContact O-CA 3.2Å; E209-F256 HydrophobicContact CB-CD1 4.06Å; E209-F256 HydrophobicContact CB-CE1 3.76Å; E209-F256 HydrophobicContact CG-CD1 4.48Å; E209-F256 HydrophobicContact CG-CE1 4.01Å; E209-F256 HydrophobicContact CG-CZ 4.39Å; V253-F256 HydrophobicContact CB-CE2 4.13Å; V253-F256 HydrophobicContact CB-CZ 4.3Å; V253-F256 HydrophobicContact CG1-CZ 4.34Å; V253-F256 WeakPolarHBondContact O-CE2 3.45Å; F256-L258 HydrophobicContact CB-CD1 3.77Å; F256-F272 HydrophobicContact CE2-CZ 4.48Å; F256-Y352 WeakPolarHBondContact O-CA 3.38Å; F256-G353 PolarHBondContact N-O 2.9Å; F256-G353 PolarHBondContact O-N 3.26Å
257	C	98.6	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109	167.6	178.2	0	0	0	0	108.6	L208 V210 L215 Y352	L208-C257 WeakPolarHBondContact CB-O 3.49Å; L208-C257 HydrophobicContact CD2-CB 4.13Å; L208-C257 HydrophobicContact CG-CB 4.43Å; L208-C257 PolarHBondContact O-N 3.12Å; V210-C257 HydrophobicContact CG1-CB 3.75Å; V210-C257 HydrophobicContact CG2-CB 4.34Å; L215-C257 HydrophobicContact CD2-CB 4.2Å; C257-Y352 HydrophobicContact CB-CD1 4.3Å; C257-Y352 HydrophobicContact CB-CE1 4.04Å
258	L	98.7	Very high	95.3	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.9	-178	-57.6	80.3	0	0	0	109.8	L205 I206 F256 Y279 L350 V351	L205-L258 CarbonylContact O-C 3.3Å; L205-L258 VanDerWaalsContact O-CA 3.27Å; L205-L258 WeakPolarHBondContact O-CA 3.41Å; I206-L258 HydrophobicContact CB-CD2 4Å; I206-L258 HydrophobicContact CB-CG 4.47Å; I206-L258 HydrophobicContact CG2-CD2 4.17Å; F256-L258 HydrophobicContact CB-CD1 3.77Å; L258-Y279 HydrophobicContact CD2-CE2 3.76Å; L258-L350 WeakPolarHBondContact O-CA 3.36Å; L258-V351 HydrophobicContact CB-CB 4.21Å; L258-V351 PolarHBondContact N-O 3.16Å; L258-V351 PolarHBondContact O-N 3.1Å
259	I	98.6	Very high	96.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.9	-179.3	-45.6	178.7	0	0	0	107.8	L159 L162 F190 L191 F194 L205 L350	L159-I259 HydrophobicContact CD1-CG2 4.48Å; L159-I259 HydrophobicContact CD2-CD1 4.4Å; L159-I259 HydrophobicContact CD2-CG2 4.33Å; L162-I259 HydrophobicContact CD2-CD1 4.02Å; F190-I259 HydrophobicContact CE1-CB 3.84Å; F190-I259 HydrophobicContact CE1-CG2 3.77Å; F190-I259 HydrophobicContact CZ-CB 4.38Å; F190-I259 HydrophobicContact CZ-CG2 4.49Å; F190-I259 WeakPolarHBondContact CZ-O 3.38Å; L191-I259 HydrophobicContact CD2-CD1 3.64Å; F194-I259 HydrophobicContact CD2-CG2 3.84Å; F194-I259 HydrophobicContact CE2-CG2 3.71Å; F194-I259 HydrophobicContact CZ-CG2 4.31Å; L205-I259 HydrophobicContact CB-CB 4.43Å; L205-I259 HydrophobicContact CD2-CD1 4.33Å; L205-I259 PolarHBondContact N-O 3.29Å; L205-I259 PolarHBondContact O-N 3.16Å; I259-L350 HydrophobicContact CG1-CD1 3.88Å
260	S	98.6	Very high	96.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.5	-170.5	-50.6	0	0	0	0	111.4	N204 K286 D348 S349	N204-S260 WeakPolarHBondContact OD1-CA 3.31Å; N204-S260 WeakPolarHBondContact OD1-CB 3.27Å; N204-S260 PolarHBondContact OD1-OG 3.34Å; S260-K286 PolarHBondContact OG-NZ 3.42Å; S260-D348 WeakPolarHBondContact O-CA 3.37Å; S260-S349 PolarHBondContact N-O 3.35Å; S260-S349 PolarHBondContact O-N 3.07Å
261	M	98.4	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.			trans	-74.3	150.5	173.2	-64.4	175.8	-177.8	0	0	111	H193 F194 R199 I202 L203 G263 S264 D348	H193-M261 WeakPolarHBondContact CD2-CE 3.44Å; F194-M261 VanDerWaalsContact CA-CE 3.45Å; F194-M261 HydrophobicContact CB-CE 3.84Å; F194-M261 HydrophobicContact CD2-CE 3.86Å; F194-M261 HydrophobicContact CD2-CG 3.64Å; F194-M261 HydrophobicContact CE2-CG 3.84Å; F194-M261 HydrophobicContact CG-CE 4.2Å; R199-M261 WeakPolarHBondContact CD-SD 3.3Å; I202-M261 HydrophobicContact CG2-CB 4.04Å; L203-M261 HydrophobicContact CB-CE 4.03Å; L203-M261 HydrophobicContact CB-SD 4.04Å; L203-M261 HydrophobicContact CG-CE 4.49Å; L203-M261 PolarHBondContact N-SD 2.87Å; L203-M261 WeakPolarHBondContact O-CB 3.32Å; L203-M261 VanDerWaalsContact O-CG 3.26Å; L203-M261 WeakPolarHBondContact O-CG 2.96Å; L203-M261 PolarHBondContact O-N 3.19Å; M261-G263 PolarHBondContact O-N 3.22Å; M261-S264 PolarHBondContact N-OG 3.31Å; M261-S264 VanDerWaalsContact O-CB 3.24Å; M261-S264 WeakPolarHBondContact O-CB 3.47Å; M261-S264 PolarHBondContact O-N 3.08Å; M261-S264 PolarHBondContact O-OG 2.82Å; M261-D348 WeakPolarHBondContact CA-OD1 3.41Å
262	A	97.5	Very high	97.5	Very high	40 Å²	40	26.7 Å²	26.7	33%	0.331	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.6	168	0	0	0	0	0	110.5	D348	A262-D348 PolarHBondContact N-OD1 3.1Å
263	G	96.9	Very high	97.5	Very high	13 Å²	13	26.6 Å²	26.6	13%	0.134	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-2.7	-173.8	0	0	0	0	0	114.6	M261 T345	M261-G263 PolarHBondContact O-N 3.22Å; G263-T345 PolarHBondContact N-O 2.82Å
264	S	98.4	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.7	177.7	-60.5	0	0	0	0	112.1	M261 Y344 T345	M261-S264 PolarHBondContact N-OG 3.31Å; M261-S264 VanDerWaalsContact O-CB 3.24Å; M261-S264 WeakPolarHBondContact O-CB 3.47Å; M261-S264 PolarHBondContact O-N 3.08Å; M261-S264 PolarHBondContact O-OG 2.82Å; S264-Y344 WeakPolarHBondContact O-CD2 3.46Å; S264-T345 WeakPolarHBondContact O-CB 3.49Å; S264-T345 PolarHBondContact O-N 2.69Å
265	Y	98.4	Very high	97.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133	176	177	-101.3	0	0	0	111.2	G97 F101 I102 L105 Q180 D267 A342 V343	G97-Y265 VanDerWaalsContact CA-CD1 3.49Å; F101-Y265 HydrophobicContact CE1-CD1 4.11Å; F101-Y265 HydrophobicContact CE1-CD2 4.33Å; F101-Y265 AromaticContact CE1-CE1 3.68Å; F101-Y265 HydrophobicContact CE1-CE1 3.68Å; F101-Y265 AromaticContact CE1-CE2 3.96Å; F101-Y265 HydrophobicContact CE1-CE2 3.96Å; F101-Y265 HydrophobicContact CE1-CG 4.39Å; F101-Y265 AromaticContact CE1-CZ 3.59Å; F101-Y265 HydrophobicContact CZ-CE1 4.22Å; F101-Y265 HydrophobicContact CZ-CE2 4.41Å; F101-Y265 AromaticContact CZ-CZ 3.87Å; I102-Y265 VanDerWaalsContact CD1-CB 3.43Å; I102-Y265 HydrophobicContact CD1-CD1 4.39Å; I102-Y265 HydrophobicContact CD1-CD2 4.07Å; I102-Y265 HydrophobicContact CD1-CG 3.72Å; L105-Y265 HydrophobicContact CD2-CD2 3.89Å; L105-Y265 HydrophobicContact CD2-CE2 3.67Å; Q180-Y265 PolarHBondContact NE2-O 3.2Å; Q180-Y265 VanDerWaalsContact NE2-O 3.16Å; Y265-D267 HydrophobicContact CE1-CB 3.83Å; Y265-D267 PolarHBondContact OH-OD1 2.63Å; Y265-A342 HydrophobicContact CE2-CB 4.18Å; Y265-V343 WeakPolarHBondContact CA-O 3.48Å
266	T	98.1	Very high	97.8	Very high	27 Å²	27	22.5 Å²	22.5	17%	0.166	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.2	169.8	-57.5	0	0	0	0	107.3	N204 I206 A342 V343	N204-T266 PolarHBondContact ND2-OG1 3.19Å; I206-T266 HydrophobicContact CD1-CG2 4.36Å; T266-A342 WeakPolarHBondContact O-CA 3.42Å; T266-A342 WeakPolarHBondContact O-CB 3.46Å; T266-V343 PolarHBondContact N-O 2.7Å; T266-V343 PolarHBondContact O-N 3.11Å
267	D	97.8	Very high	97.8	Very high	18 Å²	18	21.8 Å²	21.8	10%	0.096	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	174.4	-177.4	-148.9	-17	0	0	0	112.5	T96 Y265 H269	T96-D267 WeakPolarHBondContact CB-OD2 3.5Å; T96-D267 WeakPolarHBondContact CG2-OD2 3.16Å; T96-D267 PolarHBondContact OG1-OD2 2.98Å; Y265-D267 HydrophobicContact CE1-CB 3.83Å; Y265-D267 PolarHBondContact OH-OD1 2.63Å; D267-H269 PolarHBondContact O-N 2.71Å; D267-H269 PolarHBondContact O-ND1 2.97Å
268	F	98.4	Very high	97.8	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.022	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	129.2	-177.5	-71.9	-81	0	0	0	111.8	I291 F301 W304 F314 F315 I340 H341 A342	F268-I291 HydrophobicContact CD1-CD1 3.88Å; F268-I291 HydrophobicContact CE1-CD1 3.53Å; F268-I291 HydrophobicContact CE1-CG1 4.15Å; F268-I291 HydrophobicContact CZ-CD1 4.07Å; F268-F301 HydrophobicContact CB-CE2 4.41Å; F268-W304 HydrophobicContact CB-CH2 4.2Å; F268-W304 HydrophobicContact CB-CZ3 4.17Å; F268-W304 WeakPolarHBondContact O-CZ3 3.3Å; F268-F314 HydrophobicContact CD2-CE2 4.42Å; F268-F314 AromaticContact CE2-CD2 3.85Å; F268-F314 HydrophobicContact CE2-CD2 3.85Å; F268-F314 HydrophobicContact CE2-CE1 4.28Å; F268-F314 AromaticContact CE2-CE2 3.41Å; F268-F314 HydrophobicContact CE2-CE2 3.41Å; F268-F314 VanDerWaalsContact CE2-CE2 3.41Å; F268-F314 HydrophobicContact CE2-CG 4.49Å; F268-F314 AromaticContact CE2-CZ 3.66Å; F268-F314 HydrophobicContact CE2-CZ 3.66Å; F268-F314 HydrophobicContact CZ-CE1 4.45Å; F268-F314 HydrophobicContact CZ-CE2 4.03Å; F268-F314 AromaticContact CZ-CZ 3.83Å; F268-F314 HydrophobicContact CZ-CZ 3.83Å; F268-F315 HydrophobicContact CB-CB 4.19Å; F268-F315 HydrophobicContact CB-CD1 4.14Å; F268-F315 HydrophobicContact CD1-CD1 4.27Å; F268-F315 HydrophobicContact CD2-CB 3.6Å; F268-F315 HydrophobicContact CD2-CD1 4.39Å; F268-F315 HydrophobicContact CE2-CB 4.14Å; F268-F315 HydrophobicContact CG-CB 4Å; F268-F315 HydrophobicContact CG-CD1 4.02Å; F268-F315 HydrophobicContact CG-CG 4.48Å; F268-I340 HydrophobicContact CB-CG2 4.09Å; F268-I340 HydrophobicContact CD1-CG2 4.07Å; F268-I340 HydrophobicContact CG-CG2 4.5Å; F268-H341 CarbonylContact C-O 3.52Å; F268-H341 VanDerWaalsContact CA-O 3.3Å; F268-H341 WeakPolarHBondContact CA-O 3.33Å; F268-A342 HydrophobicContact CB-CB 4.44Å; F268-A342 HydrophobicContact CD1-CB 3.65Å; F268-A342 HydrophobicContact CD2-CB 3.87Å; F268-A342 HydrophobicContact CE1-CB 3.77Å; F268-A342 HydrophobicContact CE2-CB 4.01Å; F268-A342 HydrophobicContact CG-CB 3.72Å; F268-A342 HydrophobicContact CZ-CB 3.96Å
269	H	98.2	Very high	97.8	Very high	56 Å²	56	22 Å²	22	26%	0.259	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	166.9	175.7	61	-69.8	0	0	0	110.7	D267 I340 H341	D267-H269 PolarHBondContact O-N 2.71Å; D267-H269 PolarHBondContact O-ND1 2.97Å; H269-I340 CarbonylContact O-C 3.54Å; H269-I340 WeakPolarHBondContact O-CA 3.15Å; H269-H341 AromaticContact CE1-CD2 3.69Å; H269-H341 AromaticContact CE1-NE2 3.44Å; H269-H341 PolarHBondContact CE1-NE2 3.45Å; H269-H341 PolarHBondContact N-O 2.92Å; H269-H341 PolarHBondContact ND1-O 2.94Å; H269-H341 VanDerWaalsContact ND1-O 3.07Å; H269-H341 AromaticContact NE2-CD2 3.98Å; H269-H341 AromaticContact NE2-CE1 3.69Å; H269-H341 AromaticContact NE2-NE2 3.25Å; H269-H341 PolarHBondContact NE2-NE2 3.25Å; H269-H341 PolarHBondContact O-N 3.18Å
270	I	98.4	Very high	97.8	Very high	47 Å²	47	22 Å²	22	24%	0.241	13%	0.128	C	C	.	.			trans	-107.3	137	162.3	-60.8	175	0	0	0	105.8	L298 F301 I340	I270-L298 HydrophobicContact CD1-CD2 3.59Å; I270-F301 HydrophobicContact CD1-CD1 3.81Å; I270-F301 HydrophobicContact CD1-CE1 3.9Å; I270-F301 HydrophobicContact CG1-CD1 4.21Å; I270-F301 HydrophobicContact CG1-CE1 3.9Å; I270-F301 HydrophobicContact CG1-CZ 4.33Å; I270-I340 HydrophobicContact CD1-CG1 3.75Å; I270-I340 HydrophobicContact CG1-CB 4.31Å; I270-I340 HydrophobicContact CG1-CG1 3.59Å
271	D	98	Very high	97.8	Very high	24 Å²	24	22.1 Å²	22.1	13%	0.128	13%	0.129	C	C	.	.			trans	-54.7	144.7	174.5	-87.5	-56.9	0	0	0	111	S273 G274 H341 N355	D271-S273 PolarHBondContact O-N 3.32Å; D271-G274 PolarHBondContact O-N 2.8Å; D271-H341 IonicContact OD2-CE1 3.24Å; D271-H341 PolarHBondContact OD2-CE1 3.34Å; D271-H341 IonicContact OD2-NE2 2.74Å; D271-N355 VanDerWaalsContact CG-ND2 3.31Å; D271-N355 PolarHBondContact OD1-ND2 2.82Å; D271-N355 VanDerWaalsContact OD1-ND2 3.11Å
272	F	95.2	Very high	97.7	Very high	95 Å²	95	23.2 Å²	23.2	42%	0.417	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-54	137.1	-174.3	52.9	-95	0	0	0	111.2	V253 F256 G274 T275 N355	V253-F272 HydrophobicContact CB-CE2 4.05Å; V253-F272 HydrophobicContact CB-CZ 3.83Å; V253-F272 HydrophobicContact CG1-CE2 3.79Å; V253-F272 HydrophobicContact CG1-CZ 3.72Å; V253-F272 HydrophobicContact CG2-CE2 4.32Å; F256-F272 HydrophobicContact CE2-CZ 4.48Å; F272-G274 PolarHBondContact O-N 2.83Å; F272-G274 VanDerWaalsContact O-N 3.14Å; F272-T275 HydrophobicContact CD2-CG2 4.26Å; F272-T275 HydrophobicContact CE2-CG2 4.06Å; F272-T275 WeakPolarHBondContact O-CG2 3.24Å; F272-T275 PolarHBondContact O-N 3.42Å; F272-T275 VanDerWaalsContact O-N 3.13Å; F272-T275 PolarHBondContact O-OG1 3.5Å; F272-N355 HydrophobicContact CE1-CB 4.27Å; F272-N355 HydrophobicContact CE2-CB 3.94Å; F272-N355 HydrophobicContact CZ-CB 3.47Å; F272-N355 VanDerWaalsContact CZ-CB 3.47Å
273	S	93.6	Very high	97.7	Very high	90 Å²	90	24.5 Å²	24.5	63%	0.629	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	55.5	25.9	-178.9	-51.7	0	0	0	0	114.7	D271 T275	D271-S273 PolarHBondContact O-N 3.32Å; S273-T275 PolarHBondContact O-N 2.78Å
274	G	96.1	Very high	97.8	Very high	6 Å²	6	25.2 Å²	25.2	6%	0.062	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	63.5	25.2	-178.6	0	0	0	0	0	113	D271 F272 T337	D271-G274 PolarHBondContact O-N 2.8Å; F272-G274 PolarHBondContact O-N 2.83Å; F272-G274 VanDerWaalsContact O-N 3.14Å; G274-T337 WeakPolarHBondContact O-CA 3.47Å; G274-T337 WeakPolarHBondContact O-CB 3.36Å; G274-T337 WeakPolarHBondContact O-CG2 3.31Å; G274-T337 PolarHBondContact O-OG1 2.85Å
275	T	98.4	Very high	97.8	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.043	15%	0.146	C	C	.	.			trans	-58.5	149.5	177.6	45.5	0	0	0	0	111.6	F272 S273 N355 L357	F272-T275 HydrophobicContact CD2-CG2 4.26Å; F272-T275 HydrophobicContact CE2-CG2 4.06Å; F272-T275 WeakPolarHBondContact O-CG2 3.24Å; F272-T275 PolarHBondContact O-N 3.42Å; F272-T275 VanDerWaalsContact O-N 3.13Å; F272-T275 PolarHBondContact O-OG1 3.5Å; S273-T275 PolarHBondContact O-N 2.78Å; T275-N355 HydrophobicContact CG2-CB 4.18Å; T275-N355 PolarHBondContact OG1-ND2 3.2Å; T275-L357 HydrophobicContact CG2-CD2 3.69Å; T275-L357 HydrophobicContact CG2-CG 3.85Å
276	S	98.7	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	154.2	161.2	-68.1	0	0	0	0	108.8	I335 P336 T337 N355 F356 H358	S276-I335 CarbonylContact C-O 3.59Å; S276-I335 VanDerWaalsContact CA-O 3.28Å; S276-I335 WeakPolarHBondContact CA-O 3.27Å; S276-I335 WeakPolarHBondContact CB-O 3.4Å; S276-P336 WeakPolarHBondContact OG-CA 3.45Å; S276-T337 PolarHBondContact OG-N 3.04Å; S276-T337 PolarHBondContact OG-OG1 2.86Å; S276-N355 CarbonylContact O-C 3.6Å; S276-N355 VanDerWaalsContact O-CA 3.3Å; S276-N355 WeakPolarHBondContact O-CA 3.02Å; S276-F356 PolarHBondContact N-O 3.07Å; S276-F356 VanDerWaalsContact O-CD1 3.27Å; S276-F356 WeakPolarHBondContact O-CD1 3.48Å; S276-F356 PolarHBondContact O-N 3.34Å; S276-H358 PolarHBondContact OG-CD2 3.08Å; S276-H358 PolarHBondContact OG-NE2 3.02Å
277	V	98.6	Very high	97.7	Very high	10 Å²	10	26 Å²	26	6%	0.061	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.1	-177.4	76.9	0	0	0	0	111	L334 I335 G354	V277-L334 CarbonylContact O-C 3.56Å; V277-L334 VanDerWaalsContact O-CA 3.28Å; V277-L334 WeakPolarHBondContact O-CA 3.37Å; V277-I335 HydrophobicContact CG1-CB 3.55Å; V277-I335 HydrophobicContact CG1-CD1 3.91Å; V277-I335 HydrophobicContact CG1-CG1 3.73Å; V277-I335 PolarHBondContact N-O 2.89Å; V277-I335 PolarHBondContact O-N 2.65Å; V277-G354 CarbonylContact C-O 3.46Å; V277-G354 VanDerWaalsContact CA-O 3.29Å; V277-G354 WeakPolarHBondContact CA-O 3.23Å; V277-G354 WeakPolarHBondContact CG2-O 3.27Å
278	W	98.6	Very high	97.7	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.6	161.7	68.2	-88.1	0	0	0	109.1	L150 L152 V219 E221 P222 V225 S254 A280 V333 L334 G353 G354 F356	L150-W278 HydrophobicContact CD1-CE3 4.44Å; L150-W278 HydrophobicContact CD1-CH2 4.45Å; L150-W278 HydrophobicContact CD1-CZ3 3.97Å; L152-W278 HydrophobicContact CD2-CH2 4.44Å; L152-W278 HydrophobicContact CD2-CZ3 4.3Å; V219-W278 HydrophobicContact CG1-CH2 3.88Å; V219-W278 HydrophobicContact CG1-CZ2 4.33Å; E221-W278 HydrophobicContact CB-CZ2 4.29Å; E221-W278 HydrophobicContact CG-CZ2 3.64Å; P222-W278 HydrophobicContact CG-CB 4.34Å; P222-W278 HydrophobicContact CG-CD2 4.42Å; P222-W278 HydrophobicContact CG-CE3 4.41Å; P222-W278 HydrophobicContact CG-CG 4.41Å; V225-W278 HydrophobicContact CG2-CB 4.07Å; V225-W278 HydrophobicContact CG2-CG 4.28Å; S254-W278 WeakPolarHBondContact O-CZ2 3.27Å; S254-W278 PolarHBondContact O-NE1 2.94Å; W278-A280 HydrophobicContact CE3-CB 4.48Å; W278-A280 HydrophobicContact CZ3-CB 4.29Å; W278-V333 WeakPolarHBondContact CA-O 3.16Å; W278-L334 HydrophobicContact CB-CD2 3.43Å; W278-L334 VanDerWaalsContact CB-CD2 3.43Å; W278-G353 VanDerWaalsContact CE2-C 3.44Å; W278-G353 WeakPolarHBondContact CZ2-O 3.41Å; W278-G353 CarbonylContact O-C 3.59Å; W278-G353 WeakPolarHBondContact O-CA 3.29Å; W278-G354 PolarHBondContact N-O 3Å; W278-G354 VanDerWaalsContact NE1-CA 3.32Å; W278-G354 PolarHBondContact O-N 3.02Å; W278-F356 HydrophobicContact CB-CE1 4.42Å
279	Y	98.7	Very high	97.7	Very high	20 Å²	20	25.5 Å²	25.5	8%	0.078	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	120.6	-170.4	-161.9	-84.3	0	0	0	110.9	L258 P281 K286 F288 V332 V333 V351	L258-Y279 HydrophobicContact CD2-CE2 3.76Å; Y279-P281 HydrophobicContact CD1-CG 4.19Å; Y279-P281 HydrophobicContact CE1-CG 4.09Å; Y279-K286 HydrophobicContact CE1-CG 3.82Å; Y279-K286 WeakPolarHBondContact OH-CE 3.39Å; Y279-F288 HydrophobicContact CD1-CE2 4.04Å; Y279-F288 AromaticContact CD1-CZ 3.8Å; Y279-F288 HydrophobicContact CD1-CZ 3.8Å; Y279-F288 HydrophobicContact CD2-CZ 4.16Å; Y279-F288 AromaticContact CE1-CE2 3.95Å; Y279-F288 HydrophobicContact CE1-CE2 3.95Å; Y279-F288 AromaticContact CE1-CZ 3.77Å; Y279-F288 HydrophobicContact CE1-CZ 3.77Å; Y279-F288 HydrophobicContact CE2-CZ 4.14Å; Y279-F288 HydrophobicContact CG-CZ 4.01Å; Y279-F288 AromaticContact CZ-CZ 3.96Å; Y279-V332 CarbonylContact O-C 3.53Å; Y279-V332 WeakPolarHBondContact O-CA 3.35Å; Y279-V333 HydrophobicContact CD1-CG1 4.43Å; Y279-V333 HydrophobicContact CG-CG1 4.41Å; Y279-V333 PolarHBondContact N-O 2.9Å; Y279-V333 PolarHBondContact O-N 2.97Å; Y279-V351 HydrophobicContact CD1-CG1 3.46Å; Y279-V351 VanDerWaalsContact CD1-CG1 3.46Å; Y279-V351 HydrophobicContact CD2-CG1 4.17Å; Y279-V351 HydrophobicContact CE1-CB 4.03Å; Y279-V351 HydrophobicContact CE1-CG1 3.14Å; Y279-V351 HydrophobicContact CE1-CG2 3.88Å; Y279-V351 HydrophobicContact CE2-CG1 3.92Å; Y279-V351 HydrophobicContact CG-CG1 3.95Å
280	A	98.6	Very high	97.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	94.3	-171.1	0	0	0	0	0	111.4	L150 L152 W278 V282 V332 V351 Y352	L150-A280 HydrophobicContact CD2-CB 3.98Å; L152-A280 HydrophobicContact CD1-CB 3.84Å; W278-A280 HydrophobicContact CE3-CB 4.48Å; W278-A280 HydrophobicContact CZ3-CB 4.29Å; A280-V282 PolarHBondContact O-N 3.28Å; A280-V332 HydrophobicContact CB-CG1 4.48Å; A280-V332 HydrophobicContact CB-CG2 4.06Å; A280-V351 WeakPolarHBondContact O-CG1 3.31Å; A280-Y352 PolarHBondContact N-O 3.29Å; A280-Y352 PolarHBondContact O-N 3.3Å; A280-Y352 VanDerWaalsContact O-N 3.08Å
281	P	98.2	Very high	97.6	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131	171.8	-20.6	33.6	0	0	0	111	Y279 V327 A329 G330 V351	Y279-P281 HydrophobicContact CD1-CG 4.19Å; Y279-P281 HydrophobicContact CE1-CG 4.09Å; P281-V327 HydrophobicContact CG-CB 4.46Å; P281-V327 HydrophobicContact CG-CG1 3.83Å; P281-A329 VanDerWaalsContact O-CA 3.3Å; P281-A329 WeakPolarHBondContact O-CA 3.45Å; P281-G330 PolarHBondContact O-N 3.23Å; P281-G330 VanDerWaalsContact O-N 3.08Å; P281-V351 HydrophobicContact CB-CG2 4.07Å; P281-V351 HydrophobicContact CG-CG1 4.19Å; P281-V351 HydrophobicContact CG-CG2 4.22Å
282	V	97.8	Very high	97.6	Very high	23 Å²	23	24 Å²	24	14%	0.139	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-18.6	171.1	-64.9	0	0	0	0	112	L152 A280 L350 Y352	L152-V282 HydrophobicContact CB-CG1 4.29Å; L152-V282 HydrophobicContact CD1-CG1 3.59Å; A280-V282 PolarHBondContact O-N 3.28Å; V282-L350 HydrophobicContact CG2-CB 3.95Å; V282-L350 HydrophobicContact CG2-CD2 3.72Å; V282-L350 HydrophobicContact CG2-CG 3.63Å; V282-L350 VanDerWaalsContact CG2-O 3.27Å; V282-L350 WeakPolarHBondContact CG2-O 3.14Å; V282-L350 PolarHBondContact N-O 3.15Å; V282-Y352 HydrophobicContact CG1-CD2 3.85Å; V282-Y352 HydrophobicContact CG1-CE2 4.12Å; V282-Y352 HydrophobicContact CG2-CD2 4.07Å; V282-Y352 HydrophobicContact CG2-CE2 3.77Å
283	R	97.7	Very high	97.7	Very high	67 Å²	67	20.7 Å²	20.7	25%	0.253	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.3	172.4	-61.1	177.8	179.9	156.4	-0.7	110	S155 L157 S349 L350	S155-R283 VanDerWaalsContact O-CZ 3.28Å; S155-R283 PolarHBondContact O-NE 3.12Å; S155-R283 PolarHBondContact O-NH2 2.87Å; L157-R283 VanDerWaalsContact O-CZ 3.3Å; L157-R283 PolarHBondContact O-NH1 3.02Å; L157-R283 PolarHBondContact O-NH2 3.3Å; R283-S349 VanDerWaalsContact O-CA 3.31Å; R283-S349 WeakPolarHBondContact O-CA 3.5Å; R283-L350 HydrophobicContact CB-CB 4.05Å; R283-L350 HydrophobicContact CG-CB 4.25Å; R283-L350 PolarHBondContact N-O 2.9Å; R283-L350 VanDerWaalsContact N-O 3.13Å; R283-L350 PolarHBondContact O-N 2.85Å
284	G	97.7	Very high	97.9	Very high	27 Å²	27	18.9 Å²	18.9	28%	0.278	10%	0.104	S	C	.	.	S	Bend	trans	71.3	-152.4	177	0	0	0	0	0	112.8	A329 D348	G284-A329 PolarHBondContact O-N 3.36Å; G284-D348 WeakPolarHBondContact CA-O 3.48Å
285	S	98.1	Very high	97.9	Very high	22 Å²	22	25.1 Å²	25.1	15%	0.154	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.9	179.4	58.6	0	0	0	0	111.2	V327 P346 S349	S285-V327 CarbonylContact C-O 3.57Å; S285-V327 VanDerWaalsContact CA-O 3.29Å; S285-V327 WeakPolarHBondContact CA-O 3.46Å; S285-P346 WeakPolarHBondContact O-CD 3.19Å; S285-P346 WeakPolarHBondContact OG-CG 3.48Å; S285-S349 PolarHBondContact N-OG 2.96Å; S285-S349 PolarHBondContact O-OG 2.94Å
286	K	98.3	Very high	97.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.6	175.9	-61	-57.2	-168.6	-172.5	0	110.2	S260 Y279 F288 T326 V327 V343 Y344 T345	S260-K286 PolarHBondContact OG-NZ 3.42Å; Y279-K286 HydrophobicContact CE1-CG 3.82Å; Y279-K286 WeakPolarHBondContact OH-CE 3.39Å; K286-F288 HydrophobicContact CB-CD2 4.1Å; K286-F288 HydrophobicContact CB-CE2 3.77Å; K286-F288 HydrophobicContact CG-CE2 4.39Å; K286-T326 CarbonylContact O-C 3.54Å; K286-T326 VanDerWaalsContact O-CA 3.31Å; K286-T326 WeakPolarHBondContact O-CA 3.36Å; K286-V327 PolarHBondContact N-O 3.09Å; K286-V327 PolarHBondContact O-N 3.37Å; K286-V343 HydrophobicContact CB-CG1 4.09Å; K286-V343 HydrophobicContact CD-CG1 4.02Å; K286-V343 HydrophobicContact CG-CG1 4.29Å; K286-Y344 CarbonylContact C-O 3.53Å; K286-Y344 WeakPolarHBondContact CA-O 3.21Å; K286-T345 HydrophobicContact CD-CG2 4.17Å; K286-T345 WeakPolarHBondContact CD-OG1 3.26Å; K286-T345 PolarHBondContact NZ-OG1 2.62Å
287	V	97.4	Very high	97.9	Very high	21 Å²	21	30.8 Å²	30.8	13%	0.127	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.8	166.3	-175.8	0	0	0	0	107.3	Y289 V325 V343 Y344 P346	V287-Y289 HydrophobicContact CG1-CE1 4.07Å; V287-Y289 HydrophobicContact CG1-CE2 4.35Å; V287-V325 CarbonylContact C-O 3.56Å; V287-V325 WeakPolarHBondContact CA-O 3.49Å; V287-V343 WeakPolarHBondContact O-CA 3.25Å; V287-Y344 HydrophobicContact CG2-CD1 4.36Å; V287-Y344 PolarHBondContact N-O 3.26Å; V287-Y344 PolarHBondContact O-N 2.65Å; V287-P346 HydrophobicContact CG2-CG 4.33Å
288	F	97.9	Very high	97.9	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.7	172.8	-74.5	-103.1	0	0	0	109.2	Y279 K286 L290 S324 V325 V327 I335 A342 V343	Y279-F288 HydrophobicContact CD1-CE2 4.04Å; Y279-F288 AromaticContact CD1-CZ 3.8Å; Y279-F288 HydrophobicContact CD1-CZ 3.8Å; Y279-F288 HydrophobicContact CD2-CZ 4.16Å; Y279-F288 AromaticContact CE1-CE2 3.95Å; Y279-F288 HydrophobicContact CE1-CE2 3.95Å; Y279-F288 AromaticContact CE1-CZ 3.77Å; Y279-F288 HydrophobicContact CE1-CZ 3.77Å; Y279-F288 HydrophobicContact CE2-CZ 4.14Å; Y279-F288 HydrophobicContact CG-CZ 4.01Å; Y279-F288 AromaticContact CZ-CZ 3.96Å; K286-F288 HydrophobicContact CB-CD2 4.1Å; K286-F288 HydrophobicContact CB-CE2 3.77Å; K286-F288 HydrophobicContact CG-CE2 4.39Å; F288-L290 HydrophobicContact CB-CD2 4.05Å; F288-L290 HydrophobicContact CB-CG 4.12Å; F288-L290 HydrophobicContact CD1-CD2 4.44Å; F288-S324 CarbonylContact O-C 3.58Å; F288-S324 VanDerWaalsContact O-CA 3.28Å; F288-S324 WeakPolarHBondContact O-CA 3.4Å; F288-V325 HydrophobicContact CB-CG1 3.72Å; F288-V325 PolarHBondContact N-O 2.65Å; F288-V325 PolarHBondContact O-N 3.08Å; F288-V327 HydrophobicContact CD2-CB 4.46Å; F288-V327 HydrophobicContact CD2-CG2 3.77Å; F288-V327 HydrophobicContact CE2-CB 4.33Å; F288-V327 HydrophobicContact CE2-CG2 3.95Å; F288-I335 HydrophobicContact CD1-CD1 3.79Å; F288-I335 HydrophobicContact CE1-CD1 3.64Å; F288-I335 HydrophobicContact CZ-CD1 4.46Å; F288-A342 WeakPolarHBondContact CA-O 3.49Å; F288-V343 HydrophobicContact CD1-CG2 3.69Å; F288-V343 HydrophobicContact CE1-CG2 3.61Å; F288-V343 HydrophobicContact CG-CG2 4.33Å; F288-V343 HydrophobicContact CZ-CG2 4.21Å
289	Y	97.5	Very high	97.8	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.3	167.3	-55.7	-77.6	0	0	0	107.3	L105 F110 V287 S323 H341 A342	L105-Y289 HydrophobicContact CD1-CE1 4.18Å; L105-Y289 HydrophobicContact CD1-CE2 4.25Å; L105-Y289 HydrophobicContact CD2-CE2 3.82Å; L105-Y289 HydrophobicContact CG-CE2 4.29Å; L105-Y289 WeakPolarHBondContact CG-OH 3.03Å; F110-Y289 HydrophobicContact CD1-CD1 4.06Å; F110-Y289 HydrophobicContact CD1-CE1 4.45Å; F110-Y289 HydrophobicContact CD2-CD1 4.18Å; F110-Y289 AromaticContact CD2-CE1 3.76Å; F110-Y289 HydrophobicContact CD2-CE1 3.76Å; F110-Y289 AromaticContact CE1-CD1 3.69Å; F110-Y289 HydrophobicContact CE1-CD1 3.69Å; F110-Y289 HydrophobicContact CE1-CE1 4.05Å; F110-Y289 AromaticContact CE2-CD1 3.83Å; F110-Y289 HydrophobicContact CE2-CD1 3.83Å; F110-Y289 AromaticContact CE2-CE1 3.29Å; F110-Y289 HydrophobicContact CE2-CE1 3.29Å; F110-Y289 HydrophobicContact CG-CD1 4.29Å; F110-Y289 HydrophobicContact CG-CE1 4.33Å; F110-Y289 AromaticContact CZ-CD1 3.56Å; F110-Y289 HydrophobicContact CZ-CD1 3.56Å; F110-Y289 AromaticContact CZ-CE1 3.45Å; F110-Y289 HydrophobicContact CZ-CE1 3.45Å; F110-Y289 VanDerWaalsContact CZ-CE1 3.45Å; V287-Y289 HydrophobicContact CG1-CE1 4.07Å; V287-Y289 HydrophobicContact CG1-CE2 4.35Å; Y289-S323 CarbonylContact C-O 3.6Å; Y289-S323 VanDerWaalsContact CA-O 3.3Å; Y289-S323 WeakPolarHBondContact CA-O 3.44Å; Y289-H341 CarbonylContact O-C 3.52Å; Y289-H341 WeakPolarHBondContact O-CA 3.45Å; Y289-A342 HydrophobicContact CD2-CB 4.12Å; Y289-A342 PolarHBondContact N-O 2.88Å; Y289-A342 PolarHBondContact O-N 2.85Å
290	L	97.8	Very high	97.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133	-166.6	-63.2	174.7	0	0	0	110.7	V117 P139 F288 S323 V325 I335 W339 H341	V117-L290 HydrophobicContact CG2-CD1 3.93Å; P139-L290 HydrophobicContact CB-CD1 4.45Å; P139-L290 HydrophobicContact CG-CD1 4.09Å; F288-L290 HydrophobicContact CB-CD2 4.05Å; F288-L290 HydrophobicContact CB-CG 4.12Å; F288-L290 HydrophobicContact CD1-CD2 4.44Å; L290-S323 PolarHBondContact N-O 3.33Å; L290-S323 PolarHBondContact O-N 2.82Å; L290-V325 HydrophobicContact CD1-CB 4.43Å; L290-V325 HydrophobicContact CD1-CG1 3.5Å; L290-V325 VanDerWaalsContact CD1-CG1 3.5Å; L290-V325 HydrophobicContact CG-CG1 4.22Å; L290-I335 HydrophobicContact CD2-CD1 4.39Å; L290-W339 HydrophobicContact CB-CE3 4Å; L290-W339 HydrophobicContact CB-CZ3 3.98Å; L290-H341 HydrophobicContact CD2-CB 3.79Å
291	I	97.6	Very high	97.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.3	177.1	-62.7	168.6	0	0	0	108.1	F268 N297 F315 V319 C322 I340	F268-I291 HydrophobicContact CD1-CD1 3.88Å; F268-I291 HydrophobicContact CE1-CD1 3.53Å; F268-I291 HydrophobicContact CE1-CG1 4.15Å; F268-I291 HydrophobicContact CZ-CD1 4.07Å; I291-N297 HydrophobicContact CG2-CB 4.05Å; I291-N297 WeakPolarHBondContact CG2-ND2 3.29Å; I291-F315 HydrophobicContact CD1-CD1 3.51Å; I291-F315 HydrophobicContact CD1-CE1 3.6Å; I291-F315 HydrophobicContact CG2-CE1 4.47Å; I291-V319 HydrophobicContact CD1-CG1 4.33Å; I291-V319 HydrophobicContact CD1-CG2 3.67Å; I291-V319 HydrophobicContact CG1-CG2 3.96Å; I291-V319 HydrophobicContact CG2-CB 4.39Å; I291-V319 HydrophobicContact CG2-CG1 4.05Å; I291-V319 HydrophobicContact CG2-CG2 4.21Å; I291-C322 HydrophobicContact CD1-CB 4.45Å; I291-C322 HydrophobicContact CG1-CB 4.03Å; I291-I340 HydrophobicContact CB-CB 4.08Å; I291-I340 HydrophobicContact CG2-CB 4.46Å; I291-I340 HydrophobicContact CG2-CD1 4.13Å; I291-I340 PolarHBondContact N-O 3.49Å; I291-I340 PolarHBondContact O-N 3.18Å; I291-I340 VanDerWaalsContact O-N 3.11Å
292	K	96.9	Very high	97.8	Very high	94 Å²	94	45.8 Å²	45.8	41%	0.409	22%	0.222	S	C	.	.			trans	-62.4	137.8	-179.1	-172.6	174.3	-175.6	167.3	0	111.2	T294 N297 W339	K292-T294 HydrophobicContact CB-CG2 4.39Å; K292-T294 HydrophobicContact CD-CG2 4.2Å; K292-T294 HydrophobicContact CG-CG2 4.12Å; K292-T294 PolarHBondContact O-N 3.3Å; K292-N297 WeakPolarHBondContact O-CB 3.44Å; K292-N297 PolarHBondContact O-ND2 3.08Å; K292-W339 HydrophobicContact CB-CH2 4.08Å; K292-W339 HydrophobicContact CB-CZ2 4.28Å; K292-W339 HydrophobicContact CB-CZ3 4.38Å; K292-W339 HydrophobicContact CG-CH2 4.32Å; K292-W339 HydrophobicContact CG-CZ2 4.07Å
293	P	97.4	Very high	97.8	Very high	25 Å²	25	49.3 Å²	49.3	16%	0.162	24%	0.237	C	C	.	.			trans	-78.1	64	178.8	30.9	-34.1	0	0	0	112.7	L298 G338 W339 L364	P293-L298 HydrophobicContact CB-CD1 4.31Å; P293-L298 HydrophobicContact CB-CD2 4.09Å; P293-L298 HydrophobicContact CB-CG 4.26Å; P293-G338 WeakPolarHBondContact CB-O 3.34Å; P293-W339 HydrophobicContact CG-CG 4.4Å; P293-L364 HydrophobicContact CB-CD2 4.26Å; P293-L364 HydrophobicContact CG-CD2 4.11Å
294	T	97.2	Very high	97.8	Very high	51 Å²	51	46.2 Å²	46.2	31%	0.313	23%	0.226	S	C	.	.			trans	-75.4	156.9	169.4	68.5	0	0	0	0	109.9	K292 E296 N297 L298	K292-T294 HydrophobicContact CB-CG2 4.39Å; K292-T294 HydrophobicContact CD-CG2 4.2Å; K292-T294 HydrophobicContact CG-CG2 4.12Å; K292-T294 PolarHBondContact O-N 3.3Å; T294-E296 PolarHBondContact O-N 3.14Å; T294-N297 PolarHBondContact O-N 2.73Å; T294-N297 VanDerWaalsContact O-N 3.12Å; T294-N297 WeakPolarHBondContact OG1-CB 3.26Å; T294-N297 PolarHBondContact OG1-N 2.91Å; T294-N297 VanDerWaalsContact OG1-N 3.08Å; T294-N297 PolarHBondContact OG1-ND2 3.31Å; T294-L298 WeakPolarHBondContact O-CB 3.42Å; T294-L298 WeakPolarHBondContact O-CG 3.43Å; T294-L298 PolarHBondContact O-N 3.28Å
295	E	97.3	Very high	97.7	Very high	137 Å²	137	49.5 Å²	49.5	64%	0.64	24%	0.235	S	C	*	.	H	α-helix	trans	-51.4	-39.6	173.2	-74.5	-63.4	146	0	0	112.6	R299 K367	E295-R299 WeakPolarHBondContact O-CB 3.43Å; E295-R299 PolarHBondContact O-N 2.88Å; E295-R299 VanDerWaalsContact O-N 3.12Å; E295-K367 IonicContact OE1-NZ 3.05Å; E295-K367 PolarHBondContact OE1-NZ 3.42Å; E295-K367 IonicContact OE2-NZ 2.63Å; E295-K367 PolarHBondContact OE2-NZ 3.48Å
296	E	98.2	Very high	97.7	Very high	118 Å²	118	53 Å²	53	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-65.7	-49.7	176.8	-178.8	173.1	-165.3	0	0	112	T294 L298 R299 L300	T294-E296 PolarHBondContact O-N 3.14Å; E296-L298 PolarHBondContact O-N 3.32Å; E296-R299 PolarHBondContact O-N 3.49Å; E296-L300 HydrophobicContact CG-CD1 4.14Å; E296-L300 WeakPolarHBondContact O-CG 3.39Å; E296-L300 PolarHBondContact O-N 3.42Å
297	N	98.2	Very high	97.6	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-38	-178.3	-70.1	-14.1	0	0	0	111.9	I291 K292 T294 L300 F301 I340	I291-N297 HydrophobicContact CG2-CB 4.05Å; I291-N297 WeakPolarHBondContact CG2-ND2 3.29Å; K292-N297 WeakPolarHBondContact O-CB 3.44Å; K292-N297 PolarHBondContact O-ND2 3.08Å; T294-N297 PolarHBondContact O-N 2.73Å; T294-N297 VanDerWaalsContact O-N 3.12Å; T294-N297 WeakPolarHBondContact OG1-CB 3.26Å; T294-N297 PolarHBondContact OG1-N 2.91Å; T294-N297 VanDerWaalsContact OG1-N 3.08Å; T294-N297 PolarHBondContact OG1-ND2 3.31Å; N297-L300 PolarHBondContact O-N 3.26Å; N297-F301 VanDerWaalsContact O-CB 3.27Å; N297-F301 WeakPolarHBondContact O-CB 3.14Å; N297-F301 PolarHBondContact O-N 3.37Å; N297-I340 HydrophobicContact CB-CD1 4.15Å
298	L	98.1	Very high	97.5	Very high	22 Å²	22	60.2 Å²	60.2	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-42.1	175.7	-69.4	172.6	0	0	0	111.4	I270 P293 T294 E296 F301 E302 I340 L364 K367	I270-L298 HydrophobicContact CD1-CD2 3.59Å; P293-L298 HydrophobicContact CB-CD1 4.31Å; P293-L298 HydrophobicContact CB-CD2 4.09Å; P293-L298 HydrophobicContact CB-CG 4.26Å; T294-L298 WeakPolarHBondContact O-CB 3.42Å; T294-L298 WeakPolarHBondContact O-CG 3.43Å; T294-L298 PolarHBondContact O-N 3.28Å; E296-L298 PolarHBondContact O-N 3.32Å; L298-F301 PolarHBondContact O-N 3.2Å; L298-E302 PolarHBondContact O-N 3.46Å; L298-I340 HydrophobicContact CD2-CD1 4.36Å; L298-L364 HydrophobicContact CD1-CD1 3.9Å; L298-K367 HydrophobicContact CD1-CD 4.45Å
299	R	98.2	Very high	97.3	Very high	143 Å²	143	63 Å²	63	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-44.4	174.4	-175.3	-175	70.7	100.5	3	111.9	E295 E296 F301 E302 E303	E295-R299 WeakPolarHBondContact O-CB 3.43Å; E295-R299 PolarHBondContact O-N 2.88Å; E295-R299 VanDerWaalsContact O-N 3.12Å; E296-R299 PolarHBondContact O-N 3.49Å; R299-F301 VanDerWaalsContact C-N 3.31Å; R299-E302 PolarHBondContact O-N 2.92Å; R299-E303 WeakPolarHBondContact O-CB 3.5Å; R299-E303 PolarHBondContact O-N 3.5Å
300	L	98.5	Very high	97.2	Very high	24 Å²	24	65.5 Å²	65.5	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-38.9	176.5	-71.6	171.5	0	0	0	111.5	E296 N297 E303 W304 F315 V319	E296-L300 HydrophobicContact CG-CD1 4.14Å; E296-L300 WeakPolarHBondContact O-CG 3.39Å; E296-L300 PolarHBondContact O-N 3.42Å; N297-L300 PolarHBondContact O-N 3.26Å; L300-E303 PolarHBondContact O-N 3.24Å; L300-W304 VanDerWaalsContact O-CB 3.3Å; L300-W304 WeakPolarHBondContact O-CB 3.48Å; L300-W304 PolarHBondContact O-N 3.46Å; L300-F315 HydrophobicContact CB-CE2 4Å; L300-F315 HydrophobicContact CB-CZ 4.2Å; L300-V319 HydrophobicContact CD1-CG1 4.33Å
301	F	98.3	Very high	97.1	Very high	24 Å²	24	66.2 Å²	66.2	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-44.1	178	179.9	-104.3	0	0	0	111.8	F268 I270 N297 L298 R299 W304 M305 F315 I340	F268-F301 HydrophobicContact CB-CE2 4.41Å; I270-F301 HydrophobicContact CD1-CD1 3.81Å; I270-F301 HydrophobicContact CD1-CE1 3.9Å; I270-F301 HydrophobicContact CG1-CD1 4.21Å; I270-F301 HydrophobicContact CG1-CE1 3.9Å; I270-F301 HydrophobicContact CG1-CZ 4.33Å; N297-F301 VanDerWaalsContact O-CB 3.27Å; N297-F301 WeakPolarHBondContact O-CB 3.14Å; N297-F301 PolarHBondContact O-N 3.37Å; L298-F301 PolarHBondContact O-N 3.2Å; R299-F301 VanDerWaalsContact C-N 3.31Å; F301-W304 AromaticContact CD2-CE3 3.95Å; F301-W304 HydrophobicContact CD2-CE3 3.95Å; F301-W304 HydrophobicContact CD2-CZ3 4.25Å; F301-W304 AromaticContact CE2-CE3 3.88Å; F301-W304 HydrophobicContact CE2-CE3 3.88Å; F301-W304 AromaticContact CE2-CZ3 3.73Å; F301-W304 HydrophobicContact CE2-CZ3 3.73Å; F301-W304 PolarHBondContact O-N 3.34Å; F301-M305 HydrophobicContact CD1-CG 4.35Å; F301-M305 HydrophobicContact CD2-CG 4.35Å; F301-M305 HydrophobicContact CE1-CG 3.85Å; F301-M305 HydrophobicContact CE2-CG 3.86Å; F301-M305 HydrophobicContact CE2-SD 4.28Å; F301-M305 HydrophobicContact CZ-CG 3.56Å; F301-M305 HydrophobicContact CZ-SD 4.05Å; F301-M305 WeakPolarHBondContact O-CB 3.36Å; F301-M305 WeakPolarHBondContact O-CG 3.26Å; F301-M305 PolarHBondContact O-N 3.13Å; F301-F315 HydrophobicContact CB-CE1 4.17Å; F301-F315 HydrophobicContact CB-CE2 4.12Å; F301-F315 HydrophobicContact CB-CZ 3.62Å; F301-F315 HydrophobicContact CD2-CD1 4.24Å; F301-F315 AromaticContact CD2-CE1 3.99Å; F301-F315 HydrophobicContact CD2-CE1 3.99Å; F301-F315 HydrophobicContact CD2-CZ 4.14Å; F301-F315 HydrophobicContact CG-CZ 4.39Å; F301-I340 HydrophobicContact CB-CD1 3.83Å; F301-I340 HydrophobicContact CB-CG1 4.4Å; F301-I340 HydrophobicContact CD2-CD1 4.47Å; F301-I340 HydrophobicContact CD2-CG1 4.32Å; F301-I340 HydrophobicContact CD2-CG2 3.66Å; F301-I340 HydrophobicContact CE2-CG2 3.87Å; F301-I340 HydrophobicContact CG-CD1 4.14Å; F301-I340 HydrophobicContact CG-CG1 4.17Å; F301-I340 HydrophobicContact CG-CG2 4.35Å
302	E	97.6	Very high	97.1	Very high	137 Å²	137	68.9 Å²	68.9	64%	0.64	35%	0.352	S	S	*	.	H	α-helix	trans	-60.6	-44.9	174.3	-175.7	-178.5	-165.3	0	0	111.8	L298 R299 S306	L298-E302 PolarHBondContact O-N 3.46Å; R299-E302 PolarHBondContact O-N 2.92Å; E302-S306 WeakPolarHBondContact O-CB 3.35Å; E302-S306 PolarHBondContact O-N 3.35Å; E302-S306 VanDerWaalsContact O-N 3.09Å; E302-S306 PolarHBondContact O-OG 2.96Å
303	E	97.9	Very high	97.1	Very high	97 Å²	97	67 Å²	67	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-46.5	175.9	-175.7	176.4	175.3	0	0	111.3	R299 L300 S306 N307	R299-E303 WeakPolarHBondContact O-CB 3.5Å; R299-E303 PolarHBondContact O-N 3.5Å; L300-E303 PolarHBondContact O-N 3.24Å; E303-S306 PolarHBondContact O-N 2.93Å; E303-N307 VanDerWaalsContact O-CG 3.3Å; E303-N307 PolarHBondContact O-N 3.25Å; E303-N307 PolarHBondContact O-ND2 3.1Å
304	W	98.1	Very high	97	Very high	3 Å²	3	66.5 Å²	66.5	1%	0.011	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-52	177.7	174.3	76.4	0	0	0	111.6	F268 L300 F301 S306 N307 H310 Q313 F315 M318	F268-W304 HydrophobicContact CB-CH2 4.2Å; F268-W304 HydrophobicContact CB-CZ3 4.17Å; F268-W304 WeakPolarHBondContact O-CZ3 3.3Å; L300-W304 VanDerWaalsContact O-CB 3.3Å; L300-W304 WeakPolarHBondContact O-CB 3.48Å; L300-W304 PolarHBondContact O-N 3.46Å; F301-W304 AromaticContact CD2-CE3 3.95Å; F301-W304 HydrophobicContact CD2-CE3 3.95Å; F301-W304 HydrophobicContact CD2-CZ3 4.25Å; F301-W304 AromaticContact CE2-CE3 3.88Å; F301-W304 HydrophobicContact CE2-CE3 3.88Å; F301-W304 AromaticContact CE2-CZ3 3.73Å; F301-W304 HydrophobicContact CE2-CZ3 3.73Å; F301-W304 PolarHBondContact O-N 3.34Å; W304-S306 PolarHBondContact O-N 2.63Å; W304-S306 VanDerWaalsContact O-N 3.17Å; W304-N307 WeakPolarHBondContact O-CB 3.36Å; W304-N307 PolarHBondContact O-N 2.93Å; W304-H310 HydrophobicContact CD2-CB 4.17Å; W304-H310 HydrophobicContact CG-CB 4.28Å; W304-H310 HydrophobicContact CZ2-CB 4.25Å; W304-H310 PolarHBondContact NE1-O 3.02Å; W304-H310 VanDerWaalsContact NE1-O 3.16Å; W304-H310 WeakPolarHBondContact O-CB 3.42Å; W304-Q313 PolarHBondContact NE1-O 3.19Å; W304-F315 HydrophobicContact CB-CD2 3.7Å; W304-F315 HydrophobicContact CB-CE2 4.02Å; W304-F315 HydrophobicContact CD2-CB 3.92Å; W304-F315 AromaticContact CD2-CD2 3.87Å; W304-F315 HydrophobicContact CD2-CD2 3.87Å; W304-F315 HydrophobicContact CD2-CG 4.13Å; W304-F315 HydrophobicContact CE3-CB 4.23Å; W304-F315 HydrophobicContact CE3-CD2 4.18Å; W304-F315 HydrophobicContact CE3-CG 4.23Å; W304-F315 HydrophobicContact CG-CB 4.34Å; W304-F315 AromaticContact CG-CD2 3.65Å; W304-F315 HydrophobicContact CG-CD2 3.65Å; W304-F315 HydrophobicContact CG-CE2 4.45Å; W304-F315 HydrophobicContact CG-CG 4.36Å; W304-F315 HydrophobicContact CH2-CB 4.48Å; W304-F315 HydrophobicContact CZ2-CB 4.17Å; W304-M318 HydrophobicContact CB-CE 4.35Å; W304-M318 HydrophobicContact CB-SD 4.16Å; W304-M318 VanDerWaalsContact CD1-SD 3.55Å; W304-M318 HydrophobicContact CG-SD 4.08Å
305	M	96.1	Very high	97	Very high	95 Å²	95	64 Å²	64	47%	0.468	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-29.2	178.7	-77.4	-64.4	-67.3	0	0	113.3	F301 N307	F301-M305 HydrophobicContact CD1-CG 4.35Å; F301-M305 HydrophobicContact CD2-CG 4.35Å; F301-M305 HydrophobicContact CE1-CG 3.85Å; F301-M305 HydrophobicContact CE2-CG 3.86Å; F301-M305 HydrophobicContact CE2-SD 4.28Å; F301-M305 HydrophobicContact CZ-CG 3.56Å; F301-M305 HydrophobicContact CZ-SD 4.05Å; F301-M305 WeakPolarHBondContact O-CB 3.36Å; F301-M305 WeakPolarHBondContact O-CG 3.26Å; F301-M305 PolarHBondContact O-N 3.13Å; M305-N307 VanDerWaalsContact C-N 3.32Å
306	S	96.5	Very high	97	Very high	95 Å²	95	58 Å²	58	66%	0.664	30%	0.298	S	S	*	.	H	α-helix	trans	-77.6	-16.9	178.8	-60.4	0	0	0	0	113.4	E302 E303 W304	E302-S306 WeakPolarHBondContact O-CB 3.35Å; E302-S306 PolarHBondContact O-N 3.35Å; E302-S306 VanDerWaalsContact O-N 3.09Å; E302-S306 PolarHBondContact O-OG 2.96Å; E303-S306 PolarHBondContact O-N 2.93Å; W304-S306 PolarHBondContact O-N 2.63Å; W304-S306 VanDerWaalsContact O-N 3.17Å
307	N	96.2	Very high	96.9	Very high	53 Å²	53	56.9 Å²	56.9	28%	0.283	30%	0.297	S	S	.	.	S	Bend	trans	-77.8	136.1	-179.1	-71.7	-28.9	0	0	0	111.6	E303 W304 M305 D309 H310	E303-N307 VanDerWaalsContact O-CG 3.3Å; E303-N307 PolarHBondContact O-N 3.25Å; E303-N307 PolarHBondContact O-ND2 3.1Å; W304-N307 WeakPolarHBondContact O-CB 3.36Å; W304-N307 PolarHBondContact O-N 2.93Å; M305-N307 VanDerWaalsContact C-N 3.32Å; N307-D309 PolarHBondContact O-N 3.36Å; N307-H310 HydrophobicContact CB-CB 4.47Å; N307-H310 WeakPolarHBondContact O-CB 3.45Å; N307-H310 PolarHBondContact O-N 3.12Å; N307-H310 PolarHBondContact O-ND1 2.84Å
308	S	95.2	Very high	96.8	Very high	123 Å²	123	59.6 Å²	59.6	86%	0.86	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.4	178.8	54.9	0	0	0	0	113.5
309	D	94.6	Very high	96.7	Very high	61 Å²	61	59.3 Å²	59.3	33%	0.326	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	15.9	179.5	67.9	-39.5	0	0	0	112.5	N307 S311 E312 Q313	N307-D309 PolarHBondContact O-N 3.36Å; D309-S311 PolarHBondContact O-N 3.48Å; D309-S311 VanDerWaalsContact O-N 3.07Å; D309-E312 WeakPolarHBondContact O-CA 3.45Å; D309-E312 WeakPolarHBondContact O-CB 3.41Å; D309-E312 PolarHBondContact O-N 2.86Å; D309-Q313 PolarHBondContact OD2-NE2 3.05Å
310	H	95.7	Very high	96.4	Very high	64 Å²	64	57.9 Å²	57.9	30%	0.296	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-52.8	-34.7	178.9	70.8	-91.3	0	0	0	112.5	W304 N307 E312 Q313	W304-H310 HydrophobicContact CD2-CB 4.17Å; W304-H310 HydrophobicContact CG-CB 4.28Å; W304-H310 HydrophobicContact CZ2-CB 4.25Å; W304-H310 PolarHBondContact NE1-O 3.02Å; W304-H310 VanDerWaalsContact NE1-O 3.16Å; W304-H310 WeakPolarHBondContact O-CB 3.42Å; N307-H310 HydrophobicContact CB-CB 4.47Å; N307-H310 WeakPolarHBondContact O-CB 3.45Å; N307-H310 PolarHBondContact O-N 3.12Å; N307-H310 PolarHBondContact O-ND1 2.84Å; H310-E312 PolarHBondContact O-N 3.38Å; H310-Q313 PolarHBondContact O-N 3.03Å
311	S	96.2	Very high	96.2	Very high	15 Å²	15	60 Å²	60	11%	0.105	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59.4	-18.1	174.5	69.3	0	0	0	0	114.4	Y82 Q95 T96 D309	Y82-S311 WeakPolarHBondContact OH-CB 3.4Å; Q95-S311 CarbonylContact C-O 3.48Å; Q95-S311 WeakPolarHBondContact CA-O 3.48Å; Q95-S311 PolarHBondContact NE2-OG 2.84Å; Q95-S311 VanDerWaalsContact NE2-OG 3.15Å; T96-S311 PolarHBondContact N-O 3.05Å; T96-S311 PolarHBondContact OG1-O 3.18Å; D309-S311 PolarHBondContact O-N 3.48Å; D309-S311 VanDerWaalsContact O-N 3.07Å
312	E	97.2	Very high	96.1	Very high	58 Å²	58	59.4 Å²	59.4	27%	0.271	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-95.9	0	179	-57.8	-174.9	165.6	0	0	112.6	R81 P93 L94 Q95 D309 H310	R81-E312 IonicContact CZ-OE1 3.81Å; R81-E312 IonicContact NH1-OE1 3.87Å; R81-E312 PolarHBondContact NH1-OE1 3.25Å; R81-E312 IonicContact NH2-OE1 2.8Å; R81-E312 PolarHBondContact NH2-OE1 3.1Å; P93-E312 HydrophobicContact CB-CB 3.93Å; P93-E312 HydrophobicContact CB-CG 4.14Å; P93-E312 WeakPolarHBondContact CB-OE2 3.49Å; P93-E312 VanDerWaalsContact CG-OE2 3.31Å; P93-E312 WeakPolarHBondContact CG-OE2 3.31Å; L94-E312 WeakPolarHBondContact O-CA 3.44Å; Q95-E312 HydrophobicContact CG-CG 4.09Å; D309-E312 WeakPolarHBondContact O-CA 3.45Å; D309-E312 WeakPolarHBondContact O-CB 3.41Å; D309-E312 PolarHBondContact O-N 2.86Å; H310-E312 PolarHBondContact O-N 3.38Å
313	Q	95.5	Very high	96	Very high	54 Å²	54	52.9 Å²	52.9	25%	0.252	30%	0.298	S	S	.	.	S	Bend	trans	-124.8	118	-174.2	-58	179	13.5	0	0	109.4	W304 D309 H310 F315	W304-Q313 PolarHBondContact NE1-O 3.19Å; D309-Q313 PolarHBondContact OD2-NE2 3.05Å; H310-Q313 PolarHBondContact O-N 3.03Å; Q313-F315 PolarHBondContact O-N 3.29Å
314	F	96.6	Very high	95.8	Very high	14 Å²	14	49.8 Å²	49.8	6%	0.061	29%	0.287	C	S	.	.			trans	-75.8	108.5	172.6	-177.9	-111.6	0	0	0	109.6	F101 L105 F110 F268 G316 D317	F101-F314 HydrophobicContact CE2-CB 4.21Å; F101-F314 AromaticContact CE2-CD2 3.61Å; F101-F314 HydrophobicContact CE2-CD2 3.61Å; F101-F314 HydrophobicContact CE2-CE2 4.29Å; F101-F314 HydrophobicContact CE2-CG 4.17Å; F101-F314 AromaticContact CZ-CD2 3.44Å; F101-F314 HydrophobicContact CZ-CD2 3.44Å; F101-F314 VanDerWaalsContact CZ-CD2 3.44Å; F101-F314 AromaticContact CZ-CE2 3.74Å; F101-F314 HydrophobicContact CZ-CE2 3.74Å; F101-F314 HydrophobicContact CZ-CG 4.42Å; L105-F314 HydrophobicContact CD1-CE2 3.84Å; L105-F314 HydrophobicContact CD1-CZ 3.69Å; F110-F314 HydrophobicContact CE1-CE1 4.14Å; F110-F314 HydrophobicContact CE1-CZ 4.21Å; F110-F314 HydrophobicContact CZ-CE1 4.15Å; F110-F314 HydrophobicContact CZ-CZ 4Å; F268-F314 HydrophobicContact CD2-CE2 4.42Å; F268-F314 AromaticContact CE2-CD2 3.85Å; F268-F314 HydrophobicContact CE2-CD2 3.85Å; F268-F314 HydrophobicContact CE2-CE1 4.28Å; F268-F314 AromaticContact CE2-CE2 3.41Å; F268-F314 HydrophobicContact CE2-CE2 3.41Å; F268-F314 VanDerWaalsContact CE2-CE2 3.41Å; F268-F314 HydrophobicContact CE2-CG 4.49Å; F268-F314 AromaticContact CE2-CZ 3.66Å; F268-F314 HydrophobicContact CE2-CZ 3.66Å; F268-F314 HydrophobicContact CZ-CE1 4.45Å; F268-F314 HydrophobicContact CZ-CE2 4.03Å; F268-F314 AromaticContact CZ-CZ 3.83Å; F268-F314 HydrophobicContact CZ-CZ 3.83Å; F314-G316 PolarHBondContact O-N 3.04Å; F314-G316 VanDerWaalsContact O-N 3.09Å; F314-D317 HydrophobicContact CD1-CB 4.45Å; F314-D317 WeakPolarHBondContact O-CB 3.37Å; F314-D317 PolarHBondContact O-N 3.11Å
315	F	97.9	Very high	95.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31	-174.4	-177.7	-110.4	0	0	0	113.7	F268 I291 L300 F301 W304 Q313 D317 M318 V319 I340	F268-F315 HydrophobicContact CB-CB 4.19Å; F268-F315 HydrophobicContact CB-CD1 4.14Å; F268-F315 HydrophobicContact CD1-CD1 4.27Å; F268-F315 HydrophobicContact CD2-CB 3.6Å; F268-F315 HydrophobicContact CD2-CD1 4.39Å; F268-F315 HydrophobicContact CE2-CB 4.14Å; F268-F315 HydrophobicContact CG-CB 4Å; F268-F315 HydrophobicContact CG-CD1 4.02Å; F268-F315 HydrophobicContact CG-CG 4.48Å; I291-F315 HydrophobicContact CD1-CD1 3.51Å; I291-F315 HydrophobicContact CD1-CE1 3.6Å; I291-F315 HydrophobicContact CG2-CE1 4.47Å; L300-F315 HydrophobicContact CB-CE2 4Å; L300-F315 HydrophobicContact CB-CZ 4.2Å; F301-F315 HydrophobicContact CB-CE1 4.17Å; F301-F315 HydrophobicContact CB-CE2 4.12Å; F301-F315 HydrophobicContact CB-CZ 3.62Å; F301-F315 HydrophobicContact CD2-CD1 4.24Å; F301-F315 AromaticContact CD2-CE1 3.99Å; F301-F315 HydrophobicContact CD2-CE1 3.99Å; F301-F315 HydrophobicContact CD2-CZ 4.14Å; F301-F315 HydrophobicContact CG-CZ 4.39Å; W304-F315 HydrophobicContact CB-CD2 3.7Å; W304-F315 HydrophobicContact CB-CE2 4.02Å; W304-F315 HydrophobicContact CD2-CB 3.92Å; W304-F315 AromaticContact CD2-CD2 3.87Å; W304-F315 HydrophobicContact CD2-CD2 3.87Å; W304-F315 HydrophobicContact CD2-CG 4.13Å; W304-F315 HydrophobicContact CE3-CB 4.23Å; W304-F315 HydrophobicContact CE3-CD2 4.18Å; W304-F315 HydrophobicContact CE3-CG 4.23Å; W304-F315 HydrophobicContact CG-CB 4.34Å; W304-F315 AromaticContact CG-CD2 3.65Å; W304-F315 HydrophobicContact CG-CD2 3.65Å; W304-F315 HydrophobicContact CG-CE2 4.45Å; W304-F315 HydrophobicContact CG-CG 4.36Å; W304-F315 HydrophobicContact CH2-CB 4.48Å; W304-F315 HydrophobicContact CZ2-CB 4.17Å; Q313-F315 PolarHBondContact O-N 3.29Å; F315-D317 PolarHBondContact O-N 2.97Å; F315-D317 VanDerWaalsContact O-N 3.09Å; F315-M318 HydrophobicContact CD2-CB 4.26Å; F315-M318 HydrophobicContact CD2-SD 3.95Å; F315-M318 HydrophobicContact CE2-CB 4.43Å; F315-M318 WeakPolarHBondContact O-CB 3.42Å; F315-M318 PolarHBondContact O-N 2.84Å; F315-V319 HydrophobicContact CE1-CG1 3.87Å; F315-V319 HydrophobicContact CE2-CG1 4.32Å; F315-V319 HydrophobicContact CZ-CG1 3.69Å; F315-I340 HydrophobicContact CD1-CG2 4.04Å; F315-I340 HydrophobicContact CE1-CD1 4.1Å; F315-I340 HydrophobicContact CE1-CG2 3.8Å; F315-I340 HydrophobicContact CZ-CD1 4.44Å
316	G	96.6	Very high	95.7	Very high	9 Å²	9	48.7 Å²	48.7	9%	0.093	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59	-20.1	174	0	0	0	0	0	114.8	F314	F314-G316 PolarHBondContact O-N 3.04Å; F314-G316 VanDerWaalsContact O-N 3.09Å
317	D	95.7	Very high	95.7	Very high	96 Å²	96	44.1 Å²	44.1	51%	0.513	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-84.7	-12.4	174.1	-65.3	-31.6	0	0	0	113	R108 F314 F315	R108-D317 IonicContact CZ-OD1 2.7Å; R108-D317 IonicContact CZ-OD2 3.1Å; R108-D317 VanDerWaalsContact CZ-OD2 3.24Å; R108-D317 IonicContact NH1-OD1 3.95Å; R108-D317 PolarHBondContact NH1-OD1 3.42Å; R108-D317 VanDerWaalsContact NH1-OD1 3.15Å; R108-D317 IonicContact NH1-OD2 3.46Å; R108-D317 PolarHBondContact NH1-OD2 2.74Å; R108-D317 IonicContact NH2-OD1 3.31Å; R108-D317 PolarHBondContact NH2-OD1 3.34Å; R108-D317 IonicContact NH2-OD2 3.98Å; R108-D317 PolarHBondContact NH2-OD2 2.98Å; F314-D317 HydrophobicContact CD1-CB 4.45Å; F314-D317 WeakPolarHBondContact O-CB 3.37Å; F314-D317 PolarHBondContact O-N 3.11Å; F315-D317 PolarHBondContact O-N 2.97Å; F315-D317 VanDerWaalsContact O-N 3.09Å
318	M	96.2	Very high	95.8	Very high	64 Å²	64	43.9 Å²	43.9	32%	0.315	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.4	-177.7	-60.1	-179.2	66.6	0	0	113.1	W304 F315	W304-M318 HydrophobicContact CB-CE 4.35Å; W304-M318 HydrophobicContact CB-SD 4.16Å; W304-M318 VanDerWaalsContact CD1-SD 3.55Å; W304-M318 HydrophobicContact CG-SD 4.08Å; F315-M318 HydrophobicContact CD2-CB 4.26Å; F315-M318 HydrophobicContact CD2-SD 3.95Å; F315-M318 HydrophobicContact CE2-CB 4.43Å; F315-M318 WeakPolarHBondContact O-CB 3.42Å; F315-M318 PolarHBondContact O-N 2.84Å
319	V	96.1	Very high	95.9	Very high	17 Å²	17	40.5 Å²	40.5	10%	0.103	24%	0.236	C	C	.	.	S	Bend	trans	-104.8	158	-178.4	-62.7	0	0	0	0	111.2	I291 L300 F315 H321 C322	I291-V319 HydrophobicContact CD1-CG1 4.33Å; I291-V319 HydrophobicContact CD1-CG2 3.67Å; I291-V319 HydrophobicContact CG1-CG2 3.96Å; I291-V319 HydrophobicContact CG2-CB 4.39Å; I291-V319 HydrophobicContact CG2-CG1 4.05Å; I291-V319 HydrophobicContact CG2-CG2 4.21Å; L300-V319 HydrophobicContact CD1-CG1 4.33Å; F315-V319 HydrophobicContact CE1-CG1 3.87Å; F315-V319 HydrophobicContact CE2-CG1 4.32Å; F315-V319 HydrophobicContact CZ-CG1 3.69Å; V319-H321 VanDerWaalsContact C-N 3.26Å; V319-H321 WeakPolarHBondContact CG2-O 3.49Å; V319-H321 PolarHBondContact O-N 3.24Å; V319-C322 HydrophobicContact CG2-CB 4.25Å
320	S	92.7	Very high	96	Very high	113 Å²	113	39.6 Å²	39.6	79%	0.79	24%	0.241	S	C	*	.	S	Bend	trans	-69.3	-25	179	62.3	0	0	0	0	113.6
321	H	93.8	Very high	96.2	Very high	67 Å²	67	38 Å²	38	31%	0.31	24%	0.235	S	C	.	.			trans	-149.6	126.6	-174.5	-164.9	70.5	0	0	0	111	S111 D116 V319 S323	S111-H321 PolarHBondContact OG-CE1 3.38Å; S111-H321 PolarHBondContact OG-ND1 2.85Å; D116-H321 IonicContact OD2-CD2 2.68Å; D116-H321 PolarHBondContact OD2-CD2 3.27Å; D116-H321 IonicContact OD2-NE2 2.69Å; D116-H321 PolarHBondContact OD2-NE2 3.17Å; D116-H321 VanDerWaalsContact OD2-NE2 3.12Å; V319-H321 VanDerWaalsContact C-N 3.26Å; V319-H321 WeakPolarHBondContact CG2-O 3.49Å; V319-H321 PolarHBondContact O-N 3.24Å; H321-S323 PolarHBondContact NE2-OG 3.48Å
322	C	95.5	Very high	96.3	Very high	12 Å²	12	37.2 Å²	37.2	8%	0.081	23%	0.23	C	C	.	.			trans	-134.8	112.2	173.7	179.7	0	0	0	0	107.6	F110 S111 I291 V319	F110-C322 HydrophobicContact CD1-CB 4.45Å; S111-C322 PolarHBondContact OG-O 3.45Å; I291-C322 HydrophobicContact CD1-CB 4.45Å; I291-C322 HydrophobicContact CG1-CB 4.03Å; V319-C322 HydrophobicContact CG2-CB 4.25Å
323	S	95	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	151.4	-178.9	-76.3	0	0	0	0	110.8	D116 Y289 L290 H321	D116-S323 WeakPolarHBondContact OD2-CB 3.15Å; D116-S323 PolarHBondContact OD2-OG 2.99Å; Y289-S323 CarbonylContact C-O 3.6Å; Y289-S323 VanDerWaalsContact CA-O 3.3Å; Y289-S323 WeakPolarHBondContact CA-O 3.44Å; L290-S323 PolarHBondContact N-O 3.33Å; L290-S323 PolarHBondContact O-N 2.82Å; H321-S323 PolarHBondContact NE2-OG 3.48Å
324	S	95	Very high	96.5	Very high	32 Å²	32	32.2 Å²	32.2	22%	0.224	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.9	171.1	71.8	0	0	0	0	111.2	F113 F288	F113-S324 VanDerWaalsContact CD1-O 3.23Å; F113-S324 WeakPolarHBondContact CD1-O 3.49Å; F288-S324 CarbonylContact O-C 3.58Å; F288-S324 VanDerWaalsContact O-CA 3.28Å; F288-S324 WeakPolarHBondContact O-CA 3.4Å
325	V	95.5	Very high	96.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.9	173.9	65.3	0	0	0	0	110.4	F113 L141 V287 F288 L290	F113-V325 HydrophobicContact CB-CB 4.38Å; F113-V325 HydrophobicContact CD1-CB 4.24Å; F113-V325 HydrophobicContact CD1-CG2 4.26Å; F113-V325 HydrophobicContact CD2-CG2 4.25Å; F113-V325 HydrophobicContact CE1-CG2 4.33Å; F113-V325 HydrophobicContact CE2-CG2 4.31Å; F113-V325 HydrophobicContact CG-CB 4.15Å; F113-V325 HydrophobicContact CG-CG2 4.21Å; F113-V325 HydrophobicContact CZ-CG2 4.34Å; L141-V325 HydrophobicContact CD2-CG2 3.95Å; V287-V325 CarbonylContact C-O 3.56Å; V287-V325 WeakPolarHBondContact CA-O 3.49Å; F288-V325 HydrophobicContact CB-CG1 3.72Å; F288-V325 PolarHBondContact N-O 2.65Å; F288-V325 PolarHBondContact O-N 3.08Å; L290-V325 HydrophobicContact CD1-CB 4.43Å; L290-V325 HydrophobicContact CD1-CG1 3.5Å; L290-V325 VanDerWaalsContact CD1-CG1 3.5Å; L290-V325 HydrophobicContact CG-CG1 4.22Å
326	T	96	Very high	96.6	Very high	72 Å²	72	31.9 Å²	31.9	44%	0.442	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.8	174.5	-61.8	0	0	0	0	109.5	K286	K286-T326 CarbonylContact O-C 3.54Å; K286-T326 VanDerWaalsContact O-CA 3.31Å; K286-T326 WeakPolarHBondContact O-CA 3.36Å
327	V	97.6	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114	177.7	-170.2	0	0	0	0	107.5	L141 P281 S285 K286 F288 N331 V333	L141-V327 HydrophobicContact CD1-CG1 4.35Å; L141-V327 HydrophobicContact CD1-CG2 4.28Å; P281-V327 HydrophobicContact CG-CB 4.46Å; P281-V327 HydrophobicContact CG-CG1 3.83Å; S285-V327 CarbonylContact C-O 3.57Å; S285-V327 VanDerWaalsContact CA-O 3.29Å; S285-V327 WeakPolarHBondContact CA-O 3.46Å; K286-V327 PolarHBondContact N-O 3.09Å; K286-V327 PolarHBondContact O-N 3.37Å; F288-V327 HydrophobicContact CD2-CB 4.46Å; F288-V327 HydrophobicContact CD2-CG2 3.77Å; F288-V327 HydrophobicContact CE2-CB 4.33Å; F288-V327 HydrophobicContact CE2-CG2 3.95Å; V327-N331 HydrophobicContact CG1-CB 3.8Å; V327-V333 HydrophobicContact CG1-CG1 4.29Å; V327-V333 HydrophobicContact CG2-CB 4.32Å; V327-V333 HydrophobicContact CG2-CG1 4.11Å
328	S	97.9	Very high	96.8	Very high	47 Å²	47	27.2 Å²	27.2	33%	0.329	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	168.5	-175.9	-60.2	0	0	0	0	111.7	G330 N331	S328-G330 PolarHBondContact O-N 2.99Å; S328-N331 PolarHBondContact N-OD1 3.1Å; S328-N331 WeakPolarHBondContact O-CB 3.42Å; S328-N331 PolarHBondContact O-N 3.19Å; S328-N331 PolarHBondContact O-OD1 3.46Å
329	A	97.7	Very high	96.9	Very high	52 Å²	52	24.4 Å²	24.4	43%	0.43	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	128.1	174.6	0	0	0	0	0	112.2	P281 G284	P281-A329 VanDerWaalsContact O-CA 3.3Å; P281-A329 WeakPolarHBondContact O-CA 3.45Å; G284-A329 PolarHBondContact O-N 3.36Å
330	G	96.7	Very high	97	Very high	42 Å²	42	23.6 Å²	23.6	43%	0.433	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-15.2	-177.3	0	0	0	0	0	115.1	A145 P281 S328	A145-G330 PolarHBondContact N-O 3.35Å; P281-G330 PolarHBondContact O-N 3.23Å; P281-G330 VanDerWaalsContact O-N 3.08Å; S328-G330 PolarHBondContact O-N 2.99Å
331	N	98.3	Very high	97.3	Very high	30 Å²	30	18.6 Å²	18.6	16%	0.16	13%	0.125	C	C	.	.			trans	-77.5	159.2	168.2	-55.8	150.5	0	0	0	110.9	L141 F142 K143 V327 S328	L141-N331 HydrophobicContact CD1-CB 4.07Å; F142-N331 VanDerWaalsContact O-CA 3.3Å; F142-N331 WeakPolarHBondContact O-CA 3.27Å; F142-N331 WeakPolarHBondContact O-CB 3.26Å; K143-N331 PolarHBondContact O-ND2 3.34Å; V327-N331 HydrophobicContact CG1-CB 3.8Å; S328-N331 PolarHBondContact N-OD1 3.1Å; S328-N331 WeakPolarHBondContact O-CB 3.42Å; S328-N331 PolarHBondContact O-N 3.19Å; S328-N331 PolarHBondContact O-OD1 3.46Å
332	V	98.6	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.8	165.8	-176.1	0	0	0	0	107.7	F142 A145 L148 L150 Y279 A280	F142-V332 HydrophobicContact CB-CB 4.21Å; F142-V332 HydrophobicContact CD2-CB 4.27Å; F142-V332 HydrophobicContact CD2-CG1 4.47Å; F142-V332 PolarHBondContact N-O 3.27Å; F142-V332 PolarHBondContact O-N 2.68Å; A145-V332 HydrophobicContact CB-CG2 3.73Å; L148-V332 HydrophobicContact CD1-CB 3.82Å; L148-V332 HydrophobicContact CD1-CG1 4.01Å; L148-V332 HydrophobicContact CD1-CG2 3.81Å; L150-V332 HydrophobicContact CD2-CG2 3.7Å; Y279-V332 CarbonylContact O-C 3.53Å; Y279-V332 WeakPolarHBondContact O-CA 3.35Å; A280-V332 HydrophobicContact CB-CG1 4.48Å; A280-V332 HydrophobicContact CB-CG2 4.06Å
333	V	98.3	Very high	97.6	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.9	171	67.8	0	0	0	0	110	I140 L141 W278 Y279 V327 I335	I140-V333 CarbonylContact O-C 3.57Å; I140-V333 VanDerWaalsContact O-CA 3.3Å; I140-V333 WeakPolarHBondContact O-CA 3.29Å; L141-V333 HydrophobicContact CD1-CB 4.28Å; W278-V333 WeakPolarHBondContact CA-O 3.16Å; Y279-V333 HydrophobicContact CD1-CG1 4.43Å; Y279-V333 HydrophobicContact CG-CG1 4.41Å; Y279-V333 PolarHBondContact N-O 2.9Å; Y279-V333 PolarHBondContact O-N 2.97Å; V327-V333 HydrophobicContact CG1-CG1 4.29Å; V327-V333 HydrophobicContact CG2-CB 4.32Å; V327-V333 HydrophobicContact CG2-CG1 4.11Å; V333-I335 HydrophobicContact CG1-CG1 4.46Å; V333-I335 HydrophobicContact CG2-CG1 4.15Å
334	L	98.4	Very high	97.8	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.5	165.4	-58.7	179.6	0	0	0	107.8	F126 F136 P139 I140 F142 I224 V225 V277 W278	F126-L334 HydrophobicContact CE1-CD1 3.6Å; F126-L334 HydrophobicContact CZ-CD1 3.89Å; F136-L334 HydrophobicContact CE2-CB 4.13Å; F136-L334 HydrophobicContact CZ-CB 4Å; P139-L334 CarbonylContact C-O 3.57Å; P139-L334 WeakPolarHBondContact CA-O 3.31Å; I140-L334 HydrophobicContact CB-CB 4.42Å; I140-L334 PolarHBondContact N-O 2.64Å; I140-L334 PolarHBondContact O-N 2.85Å; F142-L334 HydrophobicContact CE2-CD1 3.82Å; F142-L334 HydrophobicContact CE2-CG 3.91Å; F142-L334 HydrophobicContact CZ-CD1 4.32Å; I224-L334 HydrophobicContact CG2-CD1 4.36Å; V225-L334 HydrophobicContact CG2-CD2 4.13Å; V277-L334 CarbonylContact O-C 3.56Å; V277-L334 VanDerWaalsContact O-CA 3.28Å; V277-L334 WeakPolarHBondContact O-CA 3.37Å; W278-L334 HydrophobicContact CB-CD2 3.43Å; W278-L334 VanDerWaalsContact CB-CD2 3.43Å
335	I	98.4	Very high	97.9	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121	174.2	-46.2	177.5	0	0	0	107.3	P139 S276 V277 F288 L290 V333 W339	P139-I335 HydrophobicContact CG-CG2 4.24Å; S276-I335 CarbonylContact C-O 3.59Å; S276-I335 VanDerWaalsContact CA-O 3.28Å; S276-I335 WeakPolarHBondContact CA-O 3.27Å; S276-I335 WeakPolarHBondContact CB-O 3.4Å; V277-I335 HydrophobicContact CG1-CB 3.55Å; V277-I335 HydrophobicContact CG1-CD1 3.91Å; V277-I335 HydrophobicContact CG1-CG1 3.73Å; V277-I335 PolarHBondContact N-O 2.89Å; V277-I335 PolarHBondContact O-N 2.65Å; F288-I335 HydrophobicContact CD1-CD1 3.79Å; F288-I335 HydrophobicContact CE1-CD1 3.64Å; F288-I335 HydrophobicContact CZ-CD1 4.46Å; L290-I335 HydrophobicContact CD2-CD1 4.39Å; V333-I335 HydrophobicContact CG1-CG1 4.46Å; V333-I335 HydrophobicContact CG2-CG1 4.15Å; I335-W339 HydrophobicContact CG2-CB 3.57Å; I335-W339 HydrophobicContact CG2-CG 4.06Å
336	P	98.1	Very high	98	Very high	2 Å²	2	17 Å²	17	1%	0.013	12%	0.117	C	C	.	.			trans	-77.8	166.7	-178.6	27.7	-29.7	0	0	0	112.3	F136 S276 G338	F136-P336 HydrophobicContact CD1-CB 4.07Å; F136-P336 HydrophobicContact CD2-CB 3.89Å; F136-P336 HydrophobicContact CD2-CG 4.33Å; F136-P336 HydrophobicContact CE1-CB 3.97Å; F136-P336 HydrophobicContact CE2-CB 3.77Å; F136-P336 HydrophobicContact CE2-CG 4.16Å; F136-P336 HydrophobicContact CG-CB 4.03Å; F136-P336 HydrophobicContact CZ-CB 3.8Å; F136-P336 WeakPolarHBondContact O-CB 3.32Å; S276-P336 WeakPolarHBondContact OG-CA 3.45Å; P336-G338 PolarHBondContact O-N 3.23Å
337	T	98.4	Very high	98.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.012	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-32.8	128.4	173.7	-55.1	0	0	0	0	113.9	G274 S276 W339 N361 L364 Q365	G274-T337 WeakPolarHBondContact O-CA 3.47Å; G274-T337 WeakPolarHBondContact O-CB 3.36Å; G274-T337 WeakPolarHBondContact O-CG2 3.31Å; G274-T337 PolarHBondContact O-OG1 2.85Å; S276-T337 PolarHBondContact OG-N 3.04Å; S276-T337 PolarHBondContact OG-OG1 2.86Å; T337-W339 VanDerWaalsContact C-N 3.31Å; T337-W339 PolarHBondContact O-N 3.09Å; T337-N361 HydrophobicContact CG2-CB 3.96Å; T337-N361 WeakPolarHBondContact OG1-CB 3.42Å; T337-L364 HydrophobicContact CG2-CB 3.75Å; T337-L364 HydrophobicContact CG2-CD2 3.77Å; T337-L364 HydrophobicContact CG2-CG 3.64Å; T337-L364 WeakPolarHBondContact O-CD2 3.47Å; T337-Q365 HydrophobicContact CG2-CB 4.4Å; T337-Q365 HydrophobicContact CG2-CG 3.59Å
338	G	98	Very high	98.1	Very high	5 Å²	5	18.3 Å²	18.3	5%	0.052	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-11.3	164.7	0	0	0	0	0	116.1	P293 P336 I340	P293-G338 WeakPolarHBondContact CB-O 3.34Å; P336-G338 PolarHBondContact O-N 3.23Å; G338-I340 PolarHBondContact O-N 3.38Å; G338-I340 VanDerWaalsContact O-N 3.14Å
339	W	98.3	Very high	98.1	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.019	11%	0.112	C	C	.	.			trans	-58.6	121	-179.9	-83.1	70.8	0	0	0	111.7	D116 D137 P139 L290 K292 P293 I335 T337 H341	D116-W339 HydrophobicContact CB-CH2 4.01Å; D116-W339 HydrophobicContact CB-CZ3 4.39Å; D137-W339 WeakPolarHBondContact O-CZ2 3.49Å; D137-W339 PolarHBondContact O-NE1 3.01Å; P139-W339 VanDerWaalsContact CD-CE2 3.42Å; P139-W339 HydrophobicContact CG-CD2 3.79Å; P139-W339 HydrophobicContact CG-CE3 3.78Å; P139-W339 HydrophobicContact CG-CG 4.41Å; P139-W339 HydrophobicContact CG-CH2 4.13Å; P139-W339 HydrophobicContact CG-CZ2 4.17Å; P139-W339 HydrophobicContact CG-CZ3 3.95Å; L290-W339 HydrophobicContact CB-CE3 4Å; L290-W339 HydrophobicContact CB-CZ3 3.98Å; K292-W339 HydrophobicContact CB-CH2 4.08Å; K292-W339 HydrophobicContact CB-CZ2 4.28Å; K292-W339 HydrophobicContact CB-CZ3 4.38Å; K292-W339 HydrophobicContact CG-CH2 4.32Å; K292-W339 HydrophobicContact CG-CZ2 4.07Å; P293-W339 HydrophobicContact CG-CG 4.4Å; I335-W339 HydrophobicContact CG2-CB 3.57Å; I335-W339 HydrophobicContact CG2-CG 4.06Å; T337-W339 VanDerWaalsContact C-N 3.31Å; T337-W339 PolarHBondContact O-N 3.09Å; W339-H341 PolarHBondContact O-ND1 2.87Å
340	I	98.6	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.9	178	-56.6	151	0	0	0	106.8	F268 H269 I270 I291 N297 L298 F301 F315 G338	F268-I340 HydrophobicContact CB-CG2 4.09Å; F268-I340 HydrophobicContact CD1-CG2 4.07Å; F268-I340 HydrophobicContact CG-CG2 4.5Å; H269-I340 CarbonylContact O-C 3.54Å; H269-I340 WeakPolarHBondContact O-CA 3.15Å; I270-I340 HydrophobicContact CD1-CG1 3.75Å; I270-I340 HydrophobicContact CG1-CB 4.31Å; I270-I340 HydrophobicContact CG1-CG1 3.59Å; I291-I340 HydrophobicContact CB-CB 4.08Å; I291-I340 HydrophobicContact CG2-CB 4.46Å; I291-I340 HydrophobicContact CG2-CD1 4.13Å; I291-I340 PolarHBondContact N-O 3.49Å; I291-I340 PolarHBondContact O-N 3.18Å; I291-I340 VanDerWaalsContact O-N 3.11Å; N297-I340 HydrophobicContact CB-CD1 4.15Å; L298-I340 HydrophobicContact CD2-CD1 4.36Å; F301-I340 HydrophobicContact CB-CD1 3.83Å; F301-I340 HydrophobicContact CB-CG1 4.4Å; F301-I340 HydrophobicContact CD2-CD1 4.47Å; F301-I340 HydrophobicContact CD2-CG1 4.32Å; F301-I340 HydrophobicContact CD2-CG2 3.66Å; F301-I340 HydrophobicContact CE2-CG2 3.87Å; F301-I340 HydrophobicContact CG-CD1 4.14Å; F301-I340 HydrophobicContact CG-CG1 4.17Å; F301-I340 HydrophobicContact CG-CG2 4.35Å; F315-I340 HydrophobicContact CD1-CG2 4.04Å; F315-I340 HydrophobicContact CE1-CD1 4.1Å; F315-I340 HydrophobicContact CE1-CG2 3.8Å; F315-I340 HydrophobicContact CZ-CD1 4.44Å; G338-I340 PolarHBondContact O-N 3.38Å; G338-I340 VanDerWaalsContact O-N 3.14Å
341	H	98.5	Very high	98.2	Very high	8 Å²	8	11.9 Å²	11.9	4%	0.037	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.1	-174.6	65.4	-81.5	0	0	0	114.3	F268 H269 D271 Y289 L290 W339	F268-H341 CarbonylContact C-O 3.52Å; F268-H341 VanDerWaalsContact CA-O 3.3Å; F268-H341 WeakPolarHBondContact CA-O 3.33Å; H269-H341 AromaticContact CE1-CD2 3.69Å; H269-H341 AromaticContact CE1-NE2 3.44Å; H269-H341 PolarHBondContact CE1-NE2 3.45Å; H269-H341 PolarHBondContact N-O 2.92Å; H269-H341 PolarHBondContact ND1-O 2.94Å; H269-H341 VanDerWaalsContact ND1-O 3.07Å; H269-H341 AromaticContact NE2-CD2 3.98Å; H269-H341 AromaticContact NE2-CE1 3.69Å; H269-H341 AromaticContact NE2-NE2 3.25Å; H269-H341 PolarHBondContact NE2-NE2 3.25Å; H269-H341 PolarHBondContact O-N 3.18Å; D271-H341 IonicContact OD2-CE1 3.24Å; D271-H341 PolarHBondContact OD2-CE1 3.34Å; D271-H341 IonicContact OD2-NE2 2.74Å; Y289-H341 CarbonylContact O-C 3.52Å; Y289-H341 WeakPolarHBondContact O-CA 3.45Å; L290-H341 HydrophobicContact CD2-CB 3.79Å; W339-H341 PolarHBondContact O-ND1 2.87Å
342	A	98.4	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.4	168.2	0	0	0	0	0	109.5	Y265 T266 F268 F288 Y289	Y265-A342 HydrophobicContact CE2-CB 4.18Å; T266-A342 WeakPolarHBondContact O-CA 3.42Å; T266-A342 WeakPolarHBondContact O-CB 3.46Å; F268-A342 HydrophobicContact CB-CB 4.44Å; F268-A342 HydrophobicContact CD1-CB 3.65Å; F268-A342 HydrophobicContact CD2-CB 3.87Å; F268-A342 HydrophobicContact CE1-CB 3.77Å; F268-A342 HydrophobicContact CE2-CB 4.01Å; F268-A342 HydrophobicContact CG-CB 3.72Å; F268-A342 HydrophobicContact CZ-CB 3.96Å; F288-A342 WeakPolarHBondContact CA-O 3.49Å; Y289-A342 HydrophobicContact CD2-CB 4.12Å; Y289-A342 PolarHBondContact N-O 2.88Å; Y289-A342 PolarHBondContact O-N 2.85Å
343	V	98.4	Very high	98.3	Very high	12 Å²	12	10.7 Å²	10.7	7%	0.073	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.1	-175.2	-171.8	0	0	0	0	111.2	Y265 T266 K286 V287 F288	Y265-V343 WeakPolarHBondContact CA-O 3.48Å; T266-V343 PolarHBondContact N-O 2.7Å; T266-V343 PolarHBondContact O-N 3.11Å; K286-V343 HydrophobicContact CB-CG1 4.09Å; K286-V343 HydrophobicContact CD-CG1 4.02Å; K286-V343 HydrophobicContact CG-CG1 4.29Å; V287-V343 WeakPolarHBondContact O-CA 3.25Å; F288-V343 HydrophobicContact CD1-CG2 3.69Å; F288-V343 HydrophobicContact CE1-CG2 3.61Å; F288-V343 HydrophobicContact CG-CG2 4.33Å; F288-V343 HydrophobicContact CZ-CG2 4.21Å
344	Y	98.2	Very high	98.3	Very high	18 Å²	18	10.6 Å²	10.6	7%	0.071	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.6	167.9	175.1	-115.3	0	0	0	111.3	I102 M106 S264 K286 V287 P346	I102-Y344 HydrophobicContact CD1-CD2 4.3Å; I102-Y344 HydrophobicContact CG2-CD2 4.22Å; I102-Y344 HydrophobicContact CG2-CE2 3.48Å; I102-Y344 VanDerWaalsContact CG2-CE2 3.48Å; M106-Y344 HydrophobicContact CE-CE1 4.29Å; M106-Y344 HydrophobicContact CG-CE1 3.89Å; M106-Y344 HydrophobicContact SD-CE1 4.08Å; M106-Y344 PolarHBondContact SD-OH 2.95Å; S264-Y344 WeakPolarHBondContact O-CD2 3.46Å; K286-Y344 CarbonylContact C-O 3.53Å; K286-Y344 WeakPolarHBondContact CA-O 3.21Å; V287-Y344 HydrophobicContact CG2-CD1 4.36Å; V287-Y344 PolarHBondContact N-O 3.26Å; V287-Y344 PolarHBondContact O-N 2.65Å; Y344-P346 HydrophobicContact CD1-CB 4.42Å; Y344-P346 HydrophobicContact CE1-CB 3.83Å; Y344-P346 WeakPolarHBondContact O-CD 3.07Å
345	T	98.5	Very high	98.3	Very high	2 Å²	2	11 Å²	11	1%	0.012	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	92.1	-177.8	-55.5	0	0	0	0	110.3	G263 S264 K286 A347	G263-T345 PolarHBondContact N-O 2.82Å; S264-T345 WeakPolarHBondContact O-CB 3.49Å; S264-T345 PolarHBondContact O-N 2.69Å; K286-T345 HydrophobicContact CD-CG2 4.17Å; K286-T345 WeakPolarHBondContact CD-OG1 3.26Å; K286-T345 PolarHBondContact NZ-OG1 2.62Å; T345-A347 VanDerWaalsContact C-N 3.3Å; T345-A347 WeakPolarHBondContact CG2-O 3.47Å; T345-A347 PolarHBondContact O-N 2.95Å
346	P	97.4	Very high	98.3	Very high	50 Å²	50	11 Å²	11	33%	0.325	7%	0.067	S	C	.	.	S	Bend	trans	-67.9	-25.3	-177.9	25.6	-37.2	0	0	0	114.5	S285 V287 Y344	S285-P346 WeakPolarHBondContact O-CD 3.19Å; S285-P346 WeakPolarHBondContact OG-CG 3.48Å; V287-P346 HydrophobicContact CG2-CG 4.33Å; Y344-P346 HydrophobicContact CD1-CB 4.42Å; Y344-P346 HydrophobicContact CE1-CB 3.83Å; Y344-P346 WeakPolarHBondContact O-CD 3.07Å
347	A	97.4	Very high	98.3	Very high	38 Å²	38	13.3 Å²	13.3	31%	0.314	8%	0.079	S	C	.	.	S	Bend	trans	-138.2	154.4	-179.3	0	0	0	0	0	110.7	T345 S349	T345-A347 VanDerWaalsContact C-N 3.3Å; T345-A347 WeakPolarHBondContact CG2-O 3.47Å; T345-A347 PolarHBondContact O-N 2.95Å; A347-S349 PolarHBondContact O-N 3.34Å; A347-S349 VanDerWaalsContact O-N 3.14Å; A347-S349 PolarHBondContact O-OG 3.34Å
348	D	98	Very high	98.2	Very high	60 Å²	60	13.2 Å²	13.2	32%	0.321	8%	0.079	S	C	.	.			trans	-48	123	171	-76.7	-9.8	0	0	0	110	F194 R199 S260 M261 A262 G284	F194-D348 HydrophobicContact CE1-CB 4.3Å; F194-D348 HydrophobicContact CZ-CB 3.74Å; R199-D348 IonicContact CZ-OD1 3.32Å; R199-D348 IonicContact CZ-OD2 3.9Å; R199-D348 IonicContact NH1-OD1 2.78Å; R199-D348 PolarHBondContact NH1-OD1 3.09Å; R199-D348 IonicContact NH1-OD2 2.68Å; R199-D348 PolarHBondContact NH1-OD2 2.95Å; R199-D348 IonicContact NH2-OD1 3.54Å; R199-D348 IonicContact NH2-OD2 3.18Å; R199-D348 PolarHBondContact NH2-OD2 3.43Å; S260-D348 WeakPolarHBondContact O-CA 3.37Å; M261-D348 WeakPolarHBondContact CA-OD1 3.41Å; A262-D348 PolarHBondContact N-OD1 3.1Å; G284-D348 WeakPolarHBondContact CA-O 3.48Å
349	S	98.2	Very high	98.1	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.014	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.1	-166.9	-64.3	0	0	0	0	111.7	S260 R283 S285 A347	S260-S349 PolarHBondContact N-O 3.35Å; S260-S349 PolarHBondContact O-N 3.07Å; R283-S349 VanDerWaalsContact O-CA 3.31Å; R283-S349 WeakPolarHBondContact O-CA 3.5Å; S285-S349 PolarHBondContact N-OG 2.96Å; S285-S349 PolarHBondContact O-OG 2.94Å; A347-S349 PolarHBondContact O-N 3.34Å; A347-S349 VanDerWaalsContact O-N 3.14Å; A347-S349 PolarHBondContact O-OG 3.34Å
350	L	98.3	Very high	98	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.1	168.1	177.1	65.6	0	0	0	107	L162 L258 I259 V282 R283 Y352	L162-L350 HydrophobicContact CD1-CD1 3.78Å; L162-L350 HydrophobicContact CD1-CD2 4.02Å; L258-L350 WeakPolarHBondContact O-CA 3.36Å; I259-L350 HydrophobicContact CG1-CD1 3.88Å; V282-L350 HydrophobicContact CG2-CB 3.95Å; V282-L350 HydrophobicContact CG2-CD2 3.72Å; V282-L350 HydrophobicContact CG2-CG 3.63Å; V282-L350 VanDerWaalsContact CG2-O 3.27Å; V282-L350 WeakPolarHBondContact CG2-O 3.14Å; V282-L350 PolarHBondContact N-O 3.15Å; R283-L350 HydrophobicContact CB-CB 4.05Å; R283-L350 HydrophobicContact CG-CB 4.25Å; R283-L350 PolarHBondContact N-O 2.9Å; R283-L350 VanDerWaalsContact N-O 3.13Å; R283-L350 PolarHBondContact O-N 2.85Å; L350-Y352 HydrophobicContact CG-CE2 4.48Å
351	V	98.5	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.5	-175.4	-170.9	0	0	0	0	109.2	L258 Y279 A280 P281	L258-V351 HydrophobicContact CB-CB 4.21Å; L258-V351 PolarHBondContact N-O 3.16Å; L258-V351 PolarHBondContact O-N 3.1Å; Y279-V351 HydrophobicContact CD1-CG1 3.46Å; Y279-V351 VanDerWaalsContact CD1-CG1 3.46Å; Y279-V351 HydrophobicContact CD2-CG1 4.17Å; Y279-V351 HydrophobicContact CE1-CB 4.03Å; Y279-V351 HydrophobicContact CE1-CG1 3.14Å; Y279-V351 HydrophobicContact CE1-CG2 3.88Å; Y279-V351 HydrophobicContact CE2-CG1 3.92Å; Y279-V351 HydrophobicContact CG-CG1 3.95Å; A280-V351 WeakPolarHBondContact O-CG1 3.31Å; P281-V351 HydrophobicContact CB-CG2 4.07Å; P281-V351 HydrophobicContact CG-CG1 4.19Å; P281-V351 HydrophobicContact CG-CG2 4.22Å
352	Y	98.6	Very high	97.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.6	163.2	-63	-81	0	0	0	109.5	L152 P153 L215 V219 F256 C257 A280 V282 L350	L152-Y352 HydrophobicContact CB-CD2 4.48Å; L152-Y352 HydrophobicContact CD1-CD2 4.46Å; L152-Y352 HydrophobicContact CD2-CD2 4.06Å; L152-Y352 HydrophobicContact CD2-CG 4Å; P153-Y352 HydrophobicContact CB-CE2 4.23Å; P153-Y352 HydrophobicContact CG-CE1 3.98Å; P153-Y352 HydrophobicContact CG-CE2 3.97Å; P153-Y352 WeakPolarHBondContact CG-OH 3.46Å; L215-Y352 HydrophobicContact CD2-CE1 4.27Å; L215-Y352 HydrophobicContact CG-CE1 4.39Å; V219-Y352 HydrophobicContact CG2-CD1 3.8Å; V219-Y352 HydrophobicContact CG2-CE1 4.08Å; V219-Y352 HydrophobicContact CG2-CG 4.39Å; F256-Y352 WeakPolarHBondContact O-CA 3.38Å; C257-Y352 HydrophobicContact CB-CD1 4.3Å; C257-Y352 HydrophobicContact CB-CE1 4.04Å; A280-Y352 PolarHBondContact N-O 3.29Å; A280-Y352 PolarHBondContact O-N 3.3Å; A280-Y352 VanDerWaalsContact O-N 3.08Å; V282-Y352 HydrophobicContact CG1-CD2 3.85Å; V282-Y352 HydrophobicContact CG1-CE2 4.12Å; V282-Y352 HydrophobicContact CG2-CD2 4.07Å; V282-Y352 HydrophobicContact CG2-CE2 3.77Å; L350-Y352 HydrophobicContact CG-CE2 4.48Å
353	G	98.5	Very high	97.6	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-176.6	177.3	0	0	0	0	0	111.7	K255 F256 W278	K255-G353 CarbonylContact C-O 3.58Å; K255-G353 WeakPolarHBondContact CA-O 3.36Å; F256-G353 PolarHBondContact N-O 2.9Å; F256-G353 PolarHBondContact O-N 3.26Å; W278-G353 VanDerWaalsContact CE2-C 3.44Å; W278-G353 WeakPolarHBondContact CZ2-O 3.41Å; W278-G353 CarbonylContact O-C 3.59Å; W278-G353 WeakPolarHBondContact O-CA 3.29Å
354	G	98.4	Very high	97.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	156.1	179.3	0	0	0	0	0	112.6	S254 V277 W278	S254-G354 VanDerWaalsContact O-CA 3.32Å; S254-G354 WeakPolarHBondContact O-CA 3.49Å; V277-G354 CarbonylContact C-O 3.46Å; V277-G354 VanDerWaalsContact CA-O 3.29Å; V277-G354 WeakPolarHBondContact CA-O 3.23Å; V277-G354 WeakPolarHBondContact CG2-O 3.27Å; W278-G354 PolarHBondContact N-O 3Å; W278-G354 VanDerWaalsContact NE1-CA 3.32Å; W278-G354 PolarHBondContact O-N 3.02Å
355	N	98.6	Very high	97.5	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.064	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.4	-177	-66	75	0	0	0	110	V253 D271 F272 T275 S276	V253-N355 HydrophobicContact CB-CB 4.42Å; V253-N355 PolarHBondContact O-N 3.1Å; D271-N355 VanDerWaalsContact CG-ND2 3.31Å; D271-N355 PolarHBondContact OD1-ND2 2.82Å; D271-N355 VanDerWaalsContact OD1-ND2 3.11Å; F272-N355 HydrophobicContact CE1-CB 4.27Å; F272-N355 HydrophobicContact CE2-CB 3.94Å; F272-N355 HydrophobicContact CZ-CB 3.47Å; F272-N355 VanDerWaalsContact CZ-CB 3.47Å; T275-N355 HydrophobicContact CG2-CB 4.18Å; T275-N355 PolarHBondContact OG1-ND2 3.2Å; S276-N355 CarbonylContact O-C 3.6Å; S276-N355 VanDerWaalsContact O-CA 3.3Å; S276-N355 WeakPolarHBondContact O-CA 3.02Å
356	F	98.2	Very high	97.4	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	145.5	179.6	60	-78.9	0	0	0	111.4	F136 V225 I228 S276 W278 H358	F136-F356 HydrophobicContact CE1-CE2 4.31Å; F136-F356 HydrophobicContact CE1-CZ 4.2Å; V225-F356 HydrophobicContact CB-CE1 4.47Å; V225-F356 HydrophobicContact CG1-CB 4.17Å; V225-F356 HydrophobicContact CG1-CD1 3.57Å; V225-F356 HydrophobicContact CG1-CD2 4.17Å; V225-F356 HydrophobicContact CG1-CE1 3.93Å; V225-F356 HydrophobicContact CG1-CE2 4.48Å; V225-F356 HydrophobicContact CG1-CG 3.71Å; V225-F356 HydrophobicContact CG1-CZ 4.37Å; V225-F356 HydrophobicContact CG2-CD1 4.32Å; V225-F356 HydrophobicContact CG2-CE1 3.8Å; V225-F356 HydrophobicContact CG2-CE2 4.5Å; V225-F356 HydrophobicContact CG2-CZ 3.91Å; I228-F356 HydrophobicContact CD1-CE2 3.85Å; I228-F356 HydrophobicContact CG1-CD2 4.25Å; I228-F356 HydrophobicContact CG1-CE2 4.06Å; S276-F356 PolarHBondContact N-O 3.07Å; S276-F356 VanDerWaalsContact O-CD1 3.27Å; S276-F356 WeakPolarHBondContact O-CD1 3.48Å; S276-F356 PolarHBondContact O-N 3.34Å; W278-F356 HydrophobicContact CB-CE1 4.42Å; F356-H358 AromaticContact CD2-CD2 3.85Å; F356-H358 AromaticContact CE2-CD2 3.58Å
357	L	98.2	Very high	97.2	Very high	49 Å²	49	43.7 Å²	43.7	26%	0.257	23%	0.228	S	C	.	.			trans	-98.7	148.9	169	-67.5	172.2	0	0	0	109.4	S229 W230 T275 Q365	S229-L357 CarbonylContact C-O 3.56Å; S229-L357 WeakPolarHBondContact CA-O 3.3Å; W230-L357 HydrophobicContact CB-CB 4.31Å; W230-L357 HydrophobicContact CD2-CB 3.97Å; W230-L357 HydrophobicContact CE3-CB 3.69Å; W230-L357 HydrophobicContact CE3-CD1 4.01Å; W230-L357 HydrophobicContact CE3-CG 4.47Å; W230-L357 HydrophobicContact CG-CB 4.24Å; W230-L357 HydrophobicContact CZ3-CB 4.35Å; W230-L357 HydrophobicContact CZ3-CD1 4.33Å; W230-L357 PolarHBondContact N-O 3.43Å; T275-L357 HydrophobicContact CG2-CD2 3.69Å; T275-L357 HydrophobicContact CG2-CG 3.85Å; L357-Q365 HydrophobicContact CD2-CB 4.19Å; L357-Q365 VanDerWaalsContact CD2-CD 3.47Å; L357-Q365 HydrophobicContact CD2-CG 3.83Å
358	H	97.4	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.			trans	-151.5	169.5	-178.4	61	58.3	0	0	0	112.9	F136 I228 W230 S276 F356 Y360 N361 Q365	F136-H358 AromaticContact CD1-CE1 3.9Å; F136-H358 AromaticContact CD1-NE2 3.39Å; F136-H358 WeakPolarHBondContact CD1-NE2 3.25Å; F136-H358 AromaticContact CE1-NE2 3.53Å; I228-H358 HydrophobicContact CB-CB 4.24Å; I228-H358 HydrophobicContact CD1-CB 4.37Å; I228-H358 HydrophobicContact CG1-CB 4.03Å; I228-H358 VanDerWaalsContact O-CB 3.31Å; I228-H358 WeakPolarHBondContact O-CB 2.83Å; W230-H358 VanDerWaalsContact NE1-C 3.31Å; S276-H358 PolarHBondContact OG-CD2 3.08Å; S276-H358 PolarHBondContact OG-NE2 3.02Å; F356-H358 AromaticContact CD2-CD2 3.85Å; F356-H358 AromaticContact CE2-CD2 3.58Å; H358-Y360 VanDerWaalsContact C-N 3.34Å; H358-Y360 HydrophobicContact CB-CD2 4.49Å; H358-Y360 PolarHBondContact ND1-N 3.39Å; H358-Y360 VanDerWaalsContact ND1-N 3.17Å; H358-Y360 PolarHBondContact O-N 3.37Å; H358-N361 PolarHBondContact CE1-ND2 3.45Å; H358-Q365 PolarHBondContact O-NE2 3.36Å; H358-Q365 PolarHBondContact O-OE1 3.42Å
359	S	96.2	Very high	97.2	Very high	59 Å²	59	43.1 Å²	43.1	41%	0.413	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-80.9	-5.5	-174.2	-55.4	0	0	0	0	115.4	W230 I362	W230-S359 PolarHBondContact NE1-OG 2.85Å; S359-I362 WeakPolarHBondContact O-CG1 3.21Å
360	Y	95.5	Very high	97.1	Very high	98 Å²	98	45.4 Å²	45.4	38%	0.384	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-80.2	-18.6	-177.1	-61.5	-77.5	0	0	0	115.5	F131 I228 H358	F131-Y360 HydrophobicContact CB-CD1 4.17Å; F131-Y360 HydrophobicContact CB-CE1 3.45Å; F131-Y360 VanDerWaalsContact CB-CE1 3.45Å; F131-Y360 HydrophobicContact CB-CE2 4.44Å; F131-Y360 HydrophobicContact CD2-CE1 4.35Å; F131-Y360 AromaticContact CD2-CE2 3.82Å; F131-Y360 HydrophobicContact CD2-CE2 3.82Å; F131-Y360 AromaticContact CD2-CZ 3.66Å; F131-Y360 HydrophobicContact CE2-CE2 4.18Å; F131-Y360 HydrophobicContact CG-CD1 4.46Å; F131-Y360 AromaticContact CG-CE1 3.94Å; F131-Y360 HydrophobicContact CG-CE1 3.94Å; F131-Y360 HydrophobicContact CG-CE2 4.08Å; F131-Y360 AromaticContact CG-CZ 3.71Å; I228-Y360 HydrophobicContact CB-CE2 4.18Å; I228-Y360 HydrophobicContact CD1-CE2 4.41Å; I228-Y360 HydrophobicContact CG2-CE2 3.86Å; H358-Y360 VanDerWaalsContact C-N 3.34Å; H358-Y360 HydrophobicContact CB-CD2 4.49Å; H358-Y360 PolarHBondContact ND1-N 3.39Å; H358-Y360 VanDerWaalsContact ND1-N 3.17Å; H358-Y360 PolarHBondContact O-N 3.37Å
361	N	95.2	Very high	97	Very high	33 Å²	33	47.8 Å²	47.8	18%	0.176	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-138.6	40.9	-177.8	-68.5	-45.8	0	0	0	112	F136 T337 H358 D363 L364 Q365	F136-N361 PolarHBondContact O-ND2 2.93Å; T337-N361 HydrophobicContact CG2-CB 3.96Å; T337-N361 WeakPolarHBondContact OG1-CB 3.42Å; H358-N361 PolarHBondContact CE1-ND2 3.45Å; N361-D363 VanDerWaalsContact C-N 3.29Å; N361-D363 PolarHBondContact O-N 3.42Å; N361-L364 PolarHBondContact O-N 2.97Å; N361-Q365 WeakPolarHBondContact O-CG 3.41Å; N361-Q365 PolarHBondContact O-N 3.45Å
362	I	96.6	Very high	96.9	Very high	67 Å²	67	50.8 Å²	50.8	34%	0.344	26%	0.257	S	S	.	.	H	α-helix	trans	-52.9	-47.4	-174.9	-57.5	-177.2	0	0	0	111.6	W230 S359 L364 Q365 L366	W230-I362 HydrophobicContact CH2-CG1 4.3Å; W230-I362 HydrophobicContact CH2-CG2 4.34Å; W230-I362 HydrophobicContact CZ2-CD1 4.03Å; W230-I362 HydrophobicContact CZ2-CG1 3.86Å; S359-I362 WeakPolarHBondContact O-CG1 3.21Å; I362-L364 VanDerWaalsContact C-N 3.31Å; I362-L364 PolarHBondContact O-N 2.84Å; I362-Q365 PolarHBondContact O-N 3.2Å; I362-L366 HydrophobicContact CG2-CD1 3.9Å; I362-L366 HydrophobicContact CG2-CG 4.33Å; I362-L366 WeakPolarHBondContact O-CG 3.48Å; I362-L366 PolarHBondContact O-N 3.01Å
363	D	95.8	Very high	96.8	Very high	141 Å²	141	54 Å²	54	75%	0.754	27%	0.273	S	S	*	.	H	α-helix	trans	-60	-40.3	-176.6	-64.4	-23.6	0	0	0	112.3	N361 K367	N361-D363 VanDerWaalsContact C-N 3.29Å; N361-D363 PolarHBondContact O-N 3.42Å; D363-K367 PolarHBondContact O-N 3.13Å
364	L	96.5	Very high	96.7	Very high	42 Å²	42	57.7 Å²	57.7	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-79.8	-27.4	179.5	-174.2	65.1	0	0	0	112.4	P293 L298 T337 N361 I362 L366 K367	P293-L364 HydrophobicContact CB-CD2 4.26Å; P293-L364 HydrophobicContact CG-CD2 4.11Å; L298-L364 HydrophobicContact CD1-CD1 3.9Å; T337-L364 HydrophobicContact CG2-CB 3.75Å; T337-L364 HydrophobicContact CG2-CD2 3.77Å; T337-L364 HydrophobicContact CG2-CG 3.64Å; T337-L364 WeakPolarHBondContact O-CD2 3.47Å; N361-L364 PolarHBondContact O-N 2.97Å; I362-L364 VanDerWaalsContact C-N 3.31Å; I362-L364 PolarHBondContact O-N 2.84Å; L364-L366 VanDerWaalsContact C-N 3.3Å; L364-K367 HydrophobicContact CD1-CD 4.36Å
365	Q	97.7	Very high	96.6	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-28.6	171.2	-70.2	174.6	170.9	0	0	112.4	T337 L357 H358 N361 I362	T337-Q365 HydrophobicContact CG2-CB 4.4Å; T337-Q365 HydrophobicContact CG2-CG 3.59Å; L357-Q365 HydrophobicContact CD2-CB 4.19Å; L357-Q365 VanDerWaalsContact CD2-CD 3.47Å; L357-Q365 HydrophobicContact CD2-CG 3.83Å; H358-Q365 PolarHBondContact O-NE2 3.36Å; H358-Q365 PolarHBondContact O-OE1 3.42Å; N361-Q365 WeakPolarHBondContact O-CG 3.41Å; N361-Q365 PolarHBondContact O-N 3.45Å; I362-Q365 PolarHBondContact O-N 3.2Å
366	L	96.6	Very high	96.4	Very high	138 Å²	138	66.3 Å²	66.3	72%	0.723	33%	0.334	S	S	*	.	H	α-helix	trans	-83.3	-23.6	178.4	-72.1	175.6	0	0	0	113.4	I362 L364	I362-L366 HydrophobicContact CG2-CD1 3.9Å; I362-L366 HydrophobicContact CG2-CG 4.33Å; I362-L366 WeakPolarHBondContact O-CG 3.48Å; I362-L366 PolarHBondContact O-N 3.01Å; L364-L366 VanDerWaalsContact C-N 3.3Å
367	K	93	Very high	96.2	Very high	146 Å²	146	71.7 Å²	71.7	64%	0.635	36%	0.362	S	S	*	.			trans	-75.3	0	176.4	-170.7	-178.7	-174	-174	0	109.9	E295 L298 D363 L364	E295-K367 IonicContact OE1-NZ 3.05Å; E295-K367 PolarHBondContact OE1-NZ 3.42Å; E295-K367 IonicContact OE2-NZ 2.63Å; E295-K367 PolarHBondContact OE2-NZ 3.48Å; L298-K367 HydrophobicContact CD1-CD 4.45Å; D363-K367 PolarHBondContact O-N 3.13Å; L364-K367 HydrophobicContact CD1-CD 4.36Å

Retrieved 367 of 367 residues in 69.4 ms (Link to these results)

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