IDH3A_RAT Loading...

Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial

Catalytic subunit of the enzyme which catalyzes the decarboxylation of isocitrate (ICT) into alpha-ketoglutarate. The heterodimer composed of the alpha (IDH3A) and beta (IDH3B) subunits and the heterodimer composed of the alpha (IDH3A) and gamma (IDH3G) subunits, have considerable basal activity but the full activity of the heterotetramer (containing two subunits of IDH3A, one of IDH3B and one of IDH3G) requires the assembly and cooperative function of both heterodimers.

AlphaFold DB , UniProt , Accession Q99NA5, Species RAT (Rattus norvegicus, Rat), Gene Idh3a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.4	Very low	31.5	Very low	245 Å²	245	143.6 Å²	143.6	100%	1.207	86%	0.856	S	S	*	*				0	128.2	0	-84.1	-170.3	-97.8	0	0	108.2
2	A	35.6	Very low	31.2	Very low	104 Å²	104	151.6 Å²	151.6	86%	0.86	86%	0.86	S	S	*	*			trans	40.5	97.8	168.3	0	0	0	0	0	118.2
3	G	25.9	Very low	31.2	Very low	76 Å²	76	153.7 Å²	153.7	78%	0.784	87%	0.866	S	S	*	*			trans	-77.3	140.5	148.6	0	0	0	0	0	110.3
4	S	29.6	Very low	31.1	Very low	118 Å²	118	156.4 Å²	156.4	83%	0.825	88%	0.875	S	S	*	*			trans	164.6	143.8	135.6	57.1	0	0	0	0	109.8
5	A	33.7	Very low	30.9	Very low	85 Å²	85	150.7 Å²	150.7	70%	0.702	87%	0.866	S	S	*	*			trans	69.1	102.9	162.4	0	0	0	0	0	116.6
6	W	30.4	Very low	31	Very low	244 Å²	244	146.6 Å²	146.6	92%	0.924	86%	0.855	S	S	*	*				162.6	67.4	120.5	-93.5	70.2	0	0	0	109.7
7	V	34.9	Very low	31.2	Very low	150 Å²	150	150.3 Å²	150.3	91%	0.909	86%	0.859	S	S	*	*			trans	-115.8	94.8	154.6	-178	0	0	0	0	106.3	K9	V7-K9 PolarHBondContact O-N 2.87Å
8	S	31.5	Very low	31.2	Very low	88 Å²	88	152.1 Å²	152.1	62%	0.615	86%	0.858	S	S	*	*			trans	-63	113.2	178.4	49.5	0	0	0	0	111.2	V10	S8-V10 PolarHBondContact O-N 2.72Å; S8-V10 VanDerWaalsContact O-N 3.14Å
9	K	29.6	Very low	31.2	Very low	214 Å²	214	151.1 Å²	151.1	93%	0.93	85%	0.851	S	S	*	*			trans	41.6	54.1	134.7	-73.7	-178.8	171.6	177.9	0	119	V7	V7-K9 PolarHBondContact O-N 2.87Å
10	V	30.6	Very low	31.2	Very low	144 Å²	144	149.1 Å²	149.1	87%	0.873	84%	0.842	S	S	*	*			trans	-107.5	11.1	170.6	178.6	0	0	0	0	114.8	S8	S8-V10 PolarHBondContact O-N 2.72Å; S8-V10 VanDerWaalsContact O-N 3.14Å
11	S	30.8	Very low	31.1	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	84%	0.835	S	S	*	*	S	Bend	trans	-134.4	22.2	-175.6	74.4	0	0	0	0	119.3
12	R	28	Very low	31.1	Very low	239 Å²	239	145 Å²	145	90%	0.902	81%	0.811	S	S	*	*			trans	-134.8	80	172.2	-71.4	-169.8	-172.2	-167.7	2.3	112.6
13	L	31.2	Very low	31	Very low	179 Å²	179	144.9 Å²	144.9	94%	0.937	80%	0.799	S	S	*	*			trans	-152	16.9	159.6	-104.5	158.9	0	0	0	113.5	G15	L13-G15 VanDerWaalsContact C-N 3.34Å; L13-G15 PolarHBondContact O-N 2.9Å
14	L	29.7	Very low	31.4	Very low	192 Å²	192	146.6 Å²	146.6	100%	1.005	80%	0.795	S	S	*	*	S	Bend	trans	-91.6	24	178.8	-96.8	161.3	0	0	0	114.4
15	G	27.9	Very low	32.3	Very low	71 Å²	71	145.9 Å²	145.9	73%	0.732	77%	0.774	S	S	*	*			trans	-144.7	85.6	-178.9	0	0	0	0	0	112.5	L13	L13-G15 VanDerWaalsContact C-N 3.34Å; L13-G15 PolarHBondContact O-N 2.9Å
16	A	33	Very low	32.4	Very low	84 Å²	84	145.7 Å²	145.7	69%	0.694	78%	0.78	S	S	*	*			trans	-171.5	44.1	159.7	0	0	0	0	0	113.9
17	F	33	Very low	33.4	Very low	210 Å²	210	137.4 Å²	137.4	92%	0.921	75%	0.751	S	S	*	*			trans	-142.7	67.4	163.2	-71.8	-73.2	0	0	0	110.9
18	H	32.5	Very low	34.2	Very low	182 Å²	182	134.3 Å²	134.3	84%	0.843	74%	0.741	S	S	*	*			trans	-131.5	83.2	153.6	-109.5	61.2	0	0	0	106.2
19	N	30.3	Very low	35.5	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	76%	0.76	S	S	*	*			trans	-130	64.8	162.7	-155.9	7.3	0	0	0	107.6	K21	N19-K21 PolarHBondContact O-N 3.13Å
20	T	30.9	Very low	38	Very low	110 Å²	110	126.7 Å²	126.7	68%	0.675	74%	0.736	S	S	*	*			trans	-69.4	84.6	164.7	-21.9	0	0	0	0	106.1	Q22	T20-Q22 PolarHBondContact O-N 3.45Å
21	K	30.5	Very low	40.9	Very low	162 Å²	162	124.5 Å²	124.5	70%	0.704	72%	0.723	S	S	*	*			trans	-67.2	79.4	161.9	-75.5	-173.2	178.2	-178.8	0	106.9	N19 V23	N19-K21 PolarHBondContact O-N 3.13Å; K21-V23 VanDerWaalsContact C-N 3.29Å; K21-V23 PolarHBondContact O-N 2.94Å
22	Q	32.6	Very low	43.9	Very low	147 Å²	147	121 Å²	121	69%	0.687	70%	0.695	S	S	*	*			trans	-58.5	109.2	147.4	-93	-177.5	-24.3	0	0	104.5	T20 T24	T20-Q22 PolarHBondContact O-N 3.45Å; Q22-T24 HydrophobicContact CB-CG2 4.27Å; Q22-T24 PolarHBondContact O-N 3.41Å
23	V	34.7	Very low	47.2	Very low	101 Å²	101	111.6 Å²	111.6	61%	0.612	66%	0.664	S	S	*	*			trans	-67.1	81	165.8	-178.7	0	0	0	0	105.3	K21 R25	K21-V23 VanDerWaalsContact C-N 3.29Å; K21-V23 PolarHBondContact O-N 2.94Å; V23-R25 HydrophobicContact CG1-CG 3.96Å; V23-R25 PolarHBondContact O-N 3.18Å
24	T	33.3	Very low	50.4	Low	113 Å²	113	103.1 Å²	103.1	69%	0.693	62%	0.619	S	S	*	*			trans	-67.9	88.8	165.8	44.5	0	0	0	0	105.6	Q22 G26	Q22-T24 HydrophobicContact CB-CG2 4.27Å; Q22-T24 PolarHBondContact O-N 3.41Å; T24-G26 PolarHBondContact O-N 3.01Å
25	R	49.8	Very low	53.7	Low	103 Å²	103	94 Å²	94	39%	0.389	57%	0.572	S	S	.	*			trans	-57.5	109.9	168	-65.9	-176.6	177.4	-171.2	0.7	105.7	V23 F27 H317	V23-R25 HydrophobicContact CG1-CG 3.96Å; V23-R25 PolarHBondContact O-N 3.18Å; R25-F27 HydrophobicContact CB-CD2 4.23Å; R25-F27 HydrophobicContact CB-CE2 3.63Å; R25-F27 HydrophobicContact CB-CZ 4.02Å; R25-F27 WeakPolarHBondContact O-CD2 3.35Å; R25-F27 PolarHBondContact O-N 3.4Å; R25-H317 PolarHBondContact NH1-CE1 3.36Å; R25-H317 VanDerWaalsContact NH1-CE1 3.34Å; R25-H317 PolarHBondContact NH1-NE2 3.38Å
26	G	35.8	Very low	57.1	Low	81 Å²	81	90.7 Å²	90.7	84%	0.835	54%	0.537	S	S	*	.			trans	-68.8	91.9	-175.3	0	0	0	0	0	110.4	T24	T24-G26 PolarHBondContact O-N 3.01Å
27	F	51.4	Low	60.2	Low	70 Å²	70	86.8 Å²	86.8	31%	0.307	51%	0.505	S	S	.	.			trans	-83.3	113.5	169.6	-64.6	-74.6	0	0	0	108.1	R25 Q32 H317 M318	R25-F27 HydrophobicContact CB-CD2 4.23Å; R25-F27 HydrophobicContact CB-CE2 3.63Å; R25-F27 HydrophobicContact CB-CZ 4.02Å; R25-F27 WeakPolarHBondContact O-CD2 3.35Å; R25-F27 PolarHBondContact O-N 3.4Å; F27-Q32 VanDerWaalsContact CD1-OE1 3.24Å; F27-H317 WeakPolarHBondContact CE2-O 3.4Å; F27-H317 WeakPolarHBondContact CZ-O 3.4Å; F27-M318 VanDerWaalsContact CD2-C 3.44Å; F27-M318 WeakPolarHBondContact CD2-O 3.29Å; F27-M318 HydrophobicContact CE1-CB 4.45Å; F27-M318 VanDerWaalsContact CE2-C 3.43Å; F27-M318 WeakPolarHBondContact CE2-O 3.12Å; F27-M318 VanDerWaalsContact CG-O 3.26Å; F27-M318 WeakPolarHBondContact CG-O 3.48Å; F27-M318 HydrophobicContact CZ-CB 4.45Å
28	A	51.6	Low	63.2	Low	85 Å²	85	78 Å²	78	70%	0.702	47%	0.469	S	S	*	.			trans	-64.2	136.8	174.9	0	0	0	0	0	109.7	G30	A28-G30 PolarHBondContact O-N 3.05Å
29	G	59	Low	66.2	Low	98 Å²	98	70.1 Å²	70.1	100%	1.01	44%	0.436	S	S	*	.	S	Bend	trans	-70.6	40.3	-171.8	0	0	0	0	0	116.6
30	G	82	Confident	69.2	Low	43 Å²	43	66.5 Å²	66.5	44%	0.443	42%	0.417	S	S	.	.	S	Bend	trans	-113.8	179.6	174.4	0	0	0	0	0	112.7	A28 Q32	A28-G30 PolarHBondContact O-N 3.05Å; G30-Q32 PolarHBondContact O-N 3.41Å
31	V	90.5	Very high	72.3	Confident	99 Å²	99	62.9 Å²	62.9	60%	0.6	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-61.9	127.2	170.3	177.9	0	0	0	0	109.1	P60 Q62	V31-P60 WeakPolarHBondContact CA-O 3.48Å; V31-Q62 HydrophobicContact CG1-CB 3.74Å
32	Q	93.9	Very high	75.5	Confident	38 Å²	38	55.5 Å²	55.5	18%	0.178	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.2	-179.7	-64.8	-173.8	60.7	0	0	110.5	F27 G30 P60 I61 Q62 M318	F27-Q32 VanDerWaalsContact CD1-OE1 3.24Å; G30-Q32 PolarHBondContact O-N 3.41Å; Q32-P60 PolarHBondContact N-O 3.47Å; Q32-I61 HydrophobicContact CB-CD1 4.42Å; Q32-I61 CarbonylContact O-C 3.59Å; Q32-I61 WeakPolarHBondContact O-CA 3.22Å; Q32-Q62 PolarHBondContact O-N 3.02Å; Q32-M318 HydrophobicContact CB-CE 3.6Å; Q32-M318 HydrophobicContact CG-CE 4.16Å; Q32-M318 VanDerWaalsContact OE1-CE 3.26Å
33	T	97.9	Very high	78.5	Confident	42 Å²	42	48.5 Å²	48.5	26%	0.258	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.1	175.1	-49.2	0	0	0	0	110.2	Q62 E64 N91	T33-Q62 CarbonylContact C-O 3.56Å; T33-Q62 VanDerWaalsContact CA-O 3.25Å; T33-Q62 WeakPolarHBondContact CA-O 3.14Å; T33-E64 HydrophobicContact CG2-CB 3.71Å; T33-N91 WeakPolarHBondContact O-CB 3.09Å
34	V	98.5	Very high	81.5	Confident	0 Å²	0	47 Å²	47	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.1	175.7	173.4	0	0	0	0	108.9	L36 I61 Q62 W63 E64 M93 M314 M318	V34-L36 PolarHBondContact O-N 2.68Å; V34-I61 HydrophobicContact CB-CG2 4.03Å; V34-I61 HydrophobicContact CG2-CD1 3.98Å; V34-I61 HydrophobicContact CG2-CG2 3.81Å; V34-Q62 PolarHBondContact N-O 3.37Å; V34-W63 HydrophobicContact CB-CE3 4.01Å; V34-W63 HydrophobicContact CB-CZ3 4.01Å; V34-W63 HydrophobicContact CG1-CE3 4Å; V34-W63 HydrophobicContact CG1-CZ3 3.68Å; V34-E64 PolarHBondContact O-N 3Å; V34-M93 HydrophobicContact CG1-CB 4.38Å; V34-M93 HydrophobicContact CG2-CB 4.11Å; V34-M314 HydrophobicContact CG1-CE 4.04Å; V34-M314 HydrophobicContact CG1-SD 3.57Å; V34-M314 VanDerWaalsContact CG1-SD 3.57Å; V34-M314 HydrophobicContact CG2-CE 4.15Å; V34-M314 HydrophobicContact CG2-SD 4.23Å; V34-M318 HydrophobicContact CG2-CE 3.91Å; V34-M318 HydrophobicContact CG2-SD 4.02Å
35	T	98.5	Very high	84.6	Confident	1 Å²	1	43 Å²	43	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	114.9	174.8	-55.7	0	0	0	0	109.8	I37 E64 R66 S87 M88 N91 M93 G94 L95	T35-I37 HydrophobicContact CG2-CG1 4.48Å; T35-E64 CarbonylContact C-O 3.59Å; T35-E64 WeakPolarHBondContact CA-O 3.25Å; T35-R66 HydrophobicContact CG2-CB 3.99Å; T35-R66 HydrophobicContact CG2-CG 3.82Å; T35-S87 WeakPolarHBondContact CG2-OG 3.2Å; T35-S87 PolarHBondContact OG1-O 2.86Å; T35-S87 PolarHBondContact OG1-OG 3.48Å; T35-M88 WeakPolarHBondContact CB-SD 3.37Å; T35-M88 HydrophobicContact CG2-CG 4.04Å; T35-M88 HydrophobicContact CG2-SD 3.72Å; T35-N91 PolarHBondContact OG1-ND2 2.74Å; T35-M93 PolarHBondContact N-O 2.93Å; T35-G94 CarbonylContact O-C 3.59Å; T35-G94 WeakPolarHBondContact O-CA 3.46Å; T35-L95 PolarHBondContact O-N 3.36Å
36	L	98.6	Very high	86.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.6	175.1	-179.7	61.5	0	0	0	109.4	V34 P38 M51 W63 E64 E65 R66 L95	V34-L36 PolarHBondContact O-N 2.68Å; L36-P38 HydrophobicContact CG-CG 4.44Å; L36-M51 HydrophobicContact CD2-CE 3.97Å; L36-M51 HydrophobicContact CD2-CG 4.02Å; L36-M51 HydrophobicContact CD2-SD 3.45Å; L36-M51 WeakPolarHBondContact CD2-SD 3.49Å; L36-W63 HydrophobicContact CB-CB 4.4Å; L36-W63 HydrophobicContact CB-CE3 4.06Å; L36-W63 HydrophobicContact CD2-CB 4.44Å; L36-E64 PolarHBondContact N-O 2.82Å; L36-E65 HydrophobicContact CB-CG 4.12Å; L36-E65 HydrophobicContact CD2-CG 3.91Å; L36-E65 HydrophobicContact CG-CG 4.25Å; L36-E65 CarbonylContact O-C 3.51Å; L36-E65 VanDerWaalsContact O-CA 3.3Å; L36-E65 WeakPolarHBondContact O-CA 3.37Å; L36-R66 PolarHBondContact O-N 2.99Å; L36-L95 HydrophobicContact CD1-CB 4.16Å; L36-L95 HydrophobicContact CD1-CD2 4.14Å; L36-L95 HydrophobicContact CD1-CG 4.28Å
37	I	97.9	Very high	89.9	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	96.8	171.4	-57	161.2	0	0	0	106	T35 G39 V68 L95 K96 G97 L99	T35-I37 HydrophobicContact CG2-CG1 4.48Å; I37-G39 PolarHBondContact O-N 3.11Å; I37-V68 HydrophobicContact CD1-CG1 3.6Å; I37-V68 HydrophobicContact CG1-CG1 3.79Å; I37-V68 HydrophobicContact CG2-CB 4.42Å; I37-V68 HydrophobicContact CG2-CG1 4.01Å; I37-V68 HydrophobicContact CG2-CG2 3.59Å; I37-L95 PolarHBondContact N-O 3.08Å; I37-K96 HydrophobicContact CB-CB 4.22Å; I37-K96 HydrophobicContact CB-CG 3.87Å; I37-K96 HydrophobicContact CD1-CB 4.26Å; I37-K96 HydrophobicContact CD1-CD 4.43Å; I37-K96 HydrophobicContact CD1-CG 4.02Å; I37-K96 HydrophobicContact CG2-CG 3.89Å; I37-K96 WeakPolarHBondContact O-CA 3.34Å; I37-G97 PolarHBondContact O-N 3.23Å; I37-L99 HydrophobicContact CG2-CD2 4.3Å
38	P	97	Very high	92.1	Very high	25 Å²	25	33.3 Å²	33.3	16%	0.162	25%	0.25	C	C	.	.			trans	-56.8	-30.7	-173.2	-27.5	35.3	0	0	0	113.4	L36 G43 S47 E65	L36-P38 HydrophobicContact CG-CG 4.44Å; P38-G43 CarbonylContact O-C 3.5Å; P38-G43 WeakPolarHBondContact O-CA 3.27Å; P38-G43 VanDerWaalsContact O-O 3.13Å; P38-S47 PolarHBondContact O-OG 3.31Å; P38-E65 HydrophobicContact CG-CG 4.39Å
39	G	94.5	Very high	94.4	Very high	16 Å²	16	29.6 Å²	29.6	17%	0.165	22%	0.218	C	C	.	.			trans	81.2	-163.6	-177.5	0	0	0	0	0	112.9	I37 P98	I37-G39 PolarHBondContact O-N 3.11Å; G39-P98 CarbonylContact C-O 3.55Å; G39-P98 WeakPolarHBondContact CA-O 3.38Å
40	D	94.6	Very high	96.2	Very high	59 Å²	59	24.9 Å²	24.9	32%	0.316	17%	0.17	S	C	.	.	S	Bend	trans	-117	162.1	-173.6	-58	-60.8	0	0	0	111.6	I42 G43 P98 L99 K100 T292	D40-I42 PolarHBondContact O-N 3.43Å; D40-G43 PolarHBondContact O-N 3.42Å; D40-P98 PolarHBondContact N-O 3.3Å; D40-L99 WeakPolarHBondContact OD2-CA 3.42Å; D40-K100 HydrophobicContact CB-CB 4.14Å; D40-K100 PolarHBondContact OD2-N 3.26Å; D40-T292 HydrophobicContact CB-CG2 3.83Å
41	G	95.4	Very high	97	Very high	33 Å²	33	25.1 Å²	25.1	34%	0.34	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-117.5	177.9	0	0	0	0	0	111.6	G43 P44 T292 A297	G41-G43 PolarHBondContact O-N 3.06Å; G41-P44 WeakPolarHBondContact O-CD 3.22Å; G41-T292 CarbonylContact C-O 3.29Å; G41-T292 WeakPolarHBondContact CA-O 3.36Å; G41-A297 VanDerWaalsContact C-CB 3.47Å
42	I	97.3	Very high	97.4	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.036	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.4	174.8	65	167.7	0	0	0	113.7	D40 E45 I46 P98 T292 A293 I296 A297 A302	D40-I42 PolarHBondContact O-N 3.43Å; I42-E45 WeakPolarHBondContact CA-OE1 3.48Å; I42-E45 HydrophobicContact CB-CG 4.13Å; I42-E45 WeakPolarHBondContact CG2-OE1 3.48Å; I42-E45 WeakPolarHBondContact O-CG 3.38Å; I42-E45 PolarHBondContact O-N 3.12Å; I42-I46 WeakPolarHBondContact O-CG1 3.5Å; I42-I46 PolarHBondContact O-N 3.37Å; I42-I46 VanDerWaalsContact O-N 3.15Å; I42-P98 HydrophobicContact CG1-CG 4.2Å; I42-T292 PolarHBondContact N-O 2.74Å; I42-A293 HydrophobicContact CD1-CB 4.09Å; I42-A293 HydrophobicContact CG1-CB 4.31Å; I42-A293 HydrophobicContact CG2-CB 3.84Å; I42-A293 WeakPolarHBondContact CG2-O 3.24Å; I42-I296 HydrophobicContact CG2-CD1 4.02Å; I42-I296 HydrophobicContact CG2-CG1 3.7Å; I42-A297 HydrophobicContact CG2-CB 4.39Å; I42-A302 HydrophobicContact CB-CB 3.81Å; I42-A302 HydrophobicContact CD1-CB 4.04Å; I42-A302 HydrophobicContact CG2-CB 3.94Å
43	G	97.1	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-53.1	-51.9	-176.2	0	0	0	0	0	115	P38 D40 G41 E45 I46 S47	P38-G43 CarbonylContact O-C 3.5Å; P38-G43 WeakPolarHBondContact O-CA 3.27Å; P38-G43 VanDerWaalsContact O-O 3.13Å; D40-G43 PolarHBondContact O-N 3.42Å; G41-G43 PolarHBondContact O-N 3.06Å; G43-E45 PolarHBondContact O-N 3.48Å; G43-I46 VanDerWaalsContact O-CG1 3.31Å; G43-I46 WeakPolarHBondContact O-CG1 3.3Å; G43-I46 PolarHBondContact O-N 3.34Å; G43-S47 WeakPolarHBondContact O-CB 3.31Å; G43-S47 PolarHBondContact O-N 3.05Å; G43-S47 PolarHBondContact O-OG 3.33Å
44	P	97.6	Very high	97.7	Very high	69 Å²	69	21 Å²	21	45%	0.448	13%	0.13	S	C	.	.	H	α-helix	trans	-57.8	-41.3	177.6	-29.1	37	0	0	0	114.3	G41 A48	G41-P44 WeakPolarHBondContact O-CD 3.22Å; P44-A48 WeakPolarHBondContact O-CB 3.31Å; P44-A48 PolarHBondContact O-N 2.88Å
45	E	97.7	Very high	97.6	Very high	30 Å²	30	27.2 Å²	27.2	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-69.7	-43.6	-179.4	59	-178.4	130	0	0	112.2	I42 G43 S47 A48 S49 G298 D300 A302	I42-E45 WeakPolarHBondContact CA-OE1 3.48Å; I42-E45 HydrophobicContact CB-CG 4.13Å; I42-E45 WeakPolarHBondContact CG2-OE1 3.48Å; I42-E45 WeakPolarHBondContact O-CG 3.38Å; I42-E45 PolarHBondContact O-N 3.12Å; G43-E45 PolarHBondContact O-N 3.48Å; E45-S47 VanDerWaalsContact C-N 3.33Å; E45-S47 PolarHBondContact O-N 3.27Å; E45-A48 PolarHBondContact O-N 3.4Å; E45-S49 PolarHBondContact O-N 3.37Å; E45-G298 PolarHBondContact OE1-N 2.62Å; E45-G298 VanDerWaalsContact OE1-N 3.07Å; E45-D300 WeakPolarHBondContact OE2-CA 3.03Å; E45-D300 PolarHBondContact OE2-N 3.31Å; E45-A302 HydrophobicContact CG-CB 3.96Å
46	I	98.1	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.4	-31.1	178.3	65.5	176.4	0	0	0	111.7	I42 G43 S49 V50 A302 P304 L307	I42-I46 WeakPolarHBondContact O-CG1 3.5Å; I42-I46 PolarHBondContact O-N 3.37Å; I42-I46 VanDerWaalsContact O-N 3.15Å; G43-I46 VanDerWaalsContact O-CG1 3.31Å; G43-I46 WeakPolarHBondContact O-CG1 3.3Å; G43-I46 PolarHBondContact O-N 3.34Å; I46-S49 WeakPolarHBondContact O-CB 3.44Å; I46-S49 PolarHBondContact O-N 3.43Å; I46-V50 WeakPolarHBondContact O-CG2 3.32Å; I46-V50 PolarHBondContact O-N 2.71Å; I46-A302 HydrophobicContact CG2-CB 3.63Å; I46-P304 HydrophobicContact CB-CB 4.02Å; I46-P304 HydrophobicContact CG2-CB 4.12Å; I46-L307 HydrophobicContact CB-CD2 4.42Å; I46-L307 HydrophobicContact CD1-CB 4.03Å; I46-L307 HydrophobicContact CD1-CD2 3.95Å; I46-L307 HydrophobicContact CG1-CB 4.47Å; I46-L307 HydrophobicContact CG1-CD2 3.73Å
47	S	98.4	Very high	97.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-69.1	-42.9	175.4	-66	0	0	0	0	110.9	P38 G43 E45 S49 V50 M51	P38-S47 PolarHBondContact O-OG 3.31Å; G43-S47 WeakPolarHBondContact O-CB 3.31Å; G43-S47 PolarHBondContact O-N 3.05Å; G43-S47 PolarHBondContact O-OG 3.33Å; E45-S47 VanDerWaalsContact C-N 3.33Å; E45-S47 PolarHBondContact O-N 3.27Å; S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 2.7Å; S47-V50 PolarHBondContact O-N 2.73Å; S47-M51 WeakPolarHBondContact O-CG 3.22Å; S47-M51 PolarHBondContact O-N 3.37Å
48	A	98.4	Very high	97.6	Very high	49 Å²	49	34.8 Å²	34.8	41%	0.405	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-39.7	172.3	0	0	0	0	0	112.3	P44 E45 M51 K52	P44-A48 WeakPolarHBondContact O-CB 3.31Å; P44-A48 PolarHBondContact O-N 2.88Å; E45-A48 PolarHBondContact O-N 3.4Å; A48-M51 HydrophobicContact CB-CE 4.48Å; A48-M51 PolarHBondContact O-N 2.82Å; A48-K52 WeakPolarHBondContact O-CB 3.48Å; A48-K52 PolarHBondContact O-N 3.24Å
49	S	98.5	Very high	97.6	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-51.1	173	171.1	0	0	0	0	112.2	E45 I46 S47 M51 K52 I53 P304 T355	E45-S49 PolarHBondContact O-N 3.37Å; I46-S49 WeakPolarHBondContact O-CB 3.44Å; I46-S49 PolarHBondContact O-N 3.43Å; S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 2.7Å; S49-M51 VanDerWaalsContact C-N 3.34Å; S49-M51 PolarHBondContact O-N 2.79Å; S49-K52 PolarHBondContact O-N 3.07Å; S49-I53 WeakPolarHBondContact O-CG1 3.26Å; S49-I53 PolarHBondContact O-N 3.41Å; S49-P304 WeakPolarHBondContact OG-CB 3.31Å; S49-P304 VanDerWaalsContact OG-CG 3.31Å; S49-P304 WeakPolarHBondContact OG-CG 3.46Å; S49-T355 VanDerWaalsContact CB-OG1 3.32Å; S49-T355 WeakPolarHBondContact CB-OG1 3.49Å; S49-T355 WeakPolarHBondContact OG-CG2 3.37Å; S49-T355 PolarHBondContact OG-OG1 3.03Å
50	V	98.7	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-43.2	178.4	174	0	0	0	0	111.4	I46 S47 K52 I53 F54 L95 L307 L308 A311	I46-V50 WeakPolarHBondContact O-CG2 3.32Å; I46-V50 PolarHBondContact O-N 2.71Å; S47-V50 PolarHBondContact O-N 2.73Å; V50-K52 PolarHBondContact O-N 2.98Å; V50-I53 PolarHBondContact O-N 3.11Å; V50-F54 HydrophobicContact CG1-CD2 3.84Å; V50-F54 HydrophobicContact CG1-CE2 3.76Å; V50-F54 HydrophobicContact CG1-CZ 4.49Å; V50-F54 VanDerWaalsContact O-CD2 3.26Å; V50-F54 WeakPolarHBondContact O-CD2 3.29Å; V50-F54 PolarHBondContact O-N 3.39Å; V50-L95 HydrophobicContact CG1-CD2 3.87Å; V50-L307 HydrophobicContact CG2-CB 4.27Å; V50-L307 HydrophobicContact CG2-CD2 4.17Å; V50-L307 HydrophobicContact CG2-CG 4.07Å; V50-L308 HydrophobicContact CG1-CD1 4.33Å; V50-L308 HydrophobicContact CG2-CB 4Å; V50-L308 HydrophobicContact CG2-CD1 4.16Å; V50-A311 HydrophobicContact CG1-CB 3.8Å
51	M	98.6	Very high	97.9	Very high	48 Å²	48	33.3 Å²	33.3	24%	0.236	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.2	-69.5	-167.5	-72.8	0	0	112.1	L36 S47 A48 S49 I53 F54 D55 W63	L36-M51 HydrophobicContact CD2-CE 3.97Å; L36-M51 HydrophobicContact CD2-CG 4.02Å; L36-M51 HydrophobicContact CD2-SD 3.45Å; L36-M51 WeakPolarHBondContact CD2-SD 3.49Å; S47-M51 WeakPolarHBondContact O-CG 3.22Å; S47-M51 PolarHBondContact O-N 3.37Å; A48-M51 HydrophobicContact CB-CE 4.48Å; A48-M51 PolarHBondContact O-N 2.82Å; S49-M51 VanDerWaalsContact C-N 3.34Å; S49-M51 PolarHBondContact O-N 2.79Å; M51-I53 VanDerWaalsContact C-N 3.33Å; M51-I53 PolarHBondContact O-N 3.49Å; M51-F54 PolarHBondContact O-N 2.84Å; M51-D55 PolarHBondContact O-N 3.5Å; M51-W63 HydrophobicContact CG-CD2 4.23Å; M51-W63 HydrophobicContact CG-CG 4.09Å; M51-W63 HydrophobicContact SD-CB 4.26Å; M51-W63 HydrophobicContact SD-CG 3.96Å
52	K	98.5	Very high	98	Very high	90 Å²	90	37.2 Å²	37.2	39%	0.391	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-38.6	177.4	-172.5	176.9	175.8	-177.2	0	111.9	A48 S49 V50 A56 T355 E356	A48-K52 WeakPolarHBondContact O-CB 3.48Å; A48-K52 PolarHBondContact O-N 3.24Å; S49-K52 PolarHBondContact O-N 3.07Å; V50-K52 PolarHBondContact O-N 2.98Å; K52-A56 WeakPolarHBondContact O-CB 3.44Å; K52-A56 PolarHBondContact O-N 2.98Å; K52-T355 HydrophobicContact CB-CG2 4.17Å; K52-T355 HydrophobicContact CD-CG2 3.95Å; K52-T355 HydrophobicContact CG-CG2 4.3Å; K52-E356 VanDerWaalsContact NZ-CG 3.26Å; K52-E356 IonicContact NZ-OE1 2.69Å; K52-E356 PolarHBondContact NZ-OE1 3Å
53	I	98.7	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-41.4	176.9	-67.2	162.7	0	0	0	111.1	S49 V50 M51 A56 A57 L308 I327 T355 I358 V362	S49-I53 WeakPolarHBondContact O-CG1 3.26Å; S49-I53 PolarHBondContact O-N 3.41Å; V50-I53 PolarHBondContact O-N 3.11Å; M51-I53 VanDerWaalsContact C-N 3.33Å; M51-I53 PolarHBondContact O-N 3.49Å; I53-A56 PolarHBondContact O-N 3.19Å; I53-A57 WeakPolarHBondContact O-CB 3.1Å; I53-A57 PolarHBondContact O-N 3.44Å; I53-L308 HydrophobicContact CB-CD1 4.27Å; I53-L308 HydrophobicContact CD1-CD1 3.92Å; I53-L308 HydrophobicContact CD1-CD2 3.76Å; I53-L308 HydrophobicContact CD1-CG 4.45Å; I53-L308 HydrophobicContact CG2-CD1 3.95Å; I53-I327 HydrophobicContact CG2-CG1 4.29Å; I53-I327 HydrophobicContact CG2-CG2 3.88Å; I53-T355 HydrophobicContact CD1-CG2 4.09Å; I53-T355 HydrophobicContact CG1-CG2 3.88Å; I53-I358 HydrophobicContact CD1-CB 4.17Å; I53-I358 HydrophobicContact CD1-CD1 4.11Å; I53-I358 HydrophobicContact CD1-CG2 3.93Å; I53-I358 HydrophobicContact CG1-CB 4.32Å; I53-I358 HydrophobicContact CG1-CG2 3.99Å; I53-I358 HydrophobicContact CG2-CG2 3.83Å; I53-V362 HydrophobicContact CG2-CG2 4.46Å
54	F	98.4	Very high	98.1	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-38.9	177.7	-87.7	-128.8	0	0	0	112.1	V50 M51 A57 K58 A59 I61 W63 L308 A311 M314 L315 I327	V50-F54 HydrophobicContact CG1-CD2 3.84Å; V50-F54 HydrophobicContact CG1-CE2 3.76Å; V50-F54 HydrophobicContact CG1-CZ 4.49Å; V50-F54 VanDerWaalsContact O-CD2 3.26Å; V50-F54 WeakPolarHBondContact O-CD2 3.29Å; V50-F54 PolarHBondContact O-N 3.39Å; M51-F54 PolarHBondContact O-N 2.84Å; F54-A57 CarbonylContact O-C 3.59Å; F54-A57 PolarHBondContact O-N 2.9Å; F54-K58 PolarHBondContact O-N 2.78Å; F54-K58 VanDerWaalsContact O-N 3.11Å; F54-A59 HydrophobicContact CB-CB 4.18Å; F54-A59 HydrophobicContact CD1-CB 3.78Å; F54-A59 HydrophobicContact CG-CB 4.2Å; F54-A59 PolarHBondContact O-N 3.29Å; F54-I61 HydrophobicContact CD1-CB 4.4Å; F54-I61 HydrophobicContact CD1-CG1 4.14Å; F54-I61 HydrophobicContact CE1-CG1 4.29Å; F54-W63 HydrophobicContact CB-CZ2 4.12Å; F54-W63 AromaticContact CD1-CH2 3.94Å; F54-W63 HydrophobicContact CD1-CH2 3.94Å; F54-W63 AromaticContact CD1-CZ2 3.44Å; F54-W63 HydrophobicContact CD1-CZ2 3.44Å; F54-W63 VanDerWaalsContact CD1-CZ2 3.44Å; F54-W63 AromaticContact CE1-CH2 3.91Å; F54-W63 HydrophobicContact CE1-CH2 3.91Å; F54-W63 AromaticContact CE1-CZ2 3.92Å; F54-W63 HydrophobicContact CE1-CZ2 3.92Å; F54-W63 AromaticContact CG-CZ2 3.79Å; F54-W63 HydrophobicContact CG-CZ2 3.79Å; F54-L308 HydrophobicContact CE2-CD1 4.26Å; F54-A311 HydrophobicContact CE2-CB 3.75Å; F54-A311 HydrophobicContact CZ-CB 3.52Å; F54-M314 HydrophobicContact CE1-CE 4.14Å; F54-L315 HydrophobicContact CE1-CD1 3.73Å; F54-L315 HydrophobicContact CE1-CD2 3.73Å; F54-L315 HydrophobicContact CE1-CG 3.74Å; F54-L315 HydrophobicContact CE2-CD1 4.31Å; F54-L315 HydrophobicContact CZ-CD1 3.54Å; F54-L315 HydrophobicContact CZ-CD2 4.32Å; F54-L315 HydrophobicContact CZ-CG 3.8Å; F54-I327 HydrophobicContact CD2-CD1 3.8Å; F54-I327 HydrophobicContact CE2-CD1 3.78Å; F54-I327 HydrophobicContact CG-CD1 4.33Å; F54-I327 HydrophobicContact CZ-CD1 4.3Å
55	D	98.1	Very high	98.1	Very high	129 Å²	129	43.1 Å²	43.1	69%	0.69	22%	0.217	S	C	*	.	H	α-helix	trans	-62.6	-47	172.5	-179.1	66.5	0	0	0	111.5	M51 A57 K58	M51-D55 PolarHBondContact O-N 3.5Å; D55-A57 PolarHBondContact O-N 3.42Å; D55-K58 PolarHBondContact O-N 3.48Å
56	A	98.3	Very high	98.1	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-33.4	174.7	0	0	0	0	0	112.8	K52 I53 K58 C359	K52-A56 WeakPolarHBondContact O-CB 3.44Å; K52-A56 PolarHBondContact O-N 2.98Å; I53-A56 PolarHBondContact O-N 3.19Å; A56-K58 VanDerWaalsContact C-N 3.27Å; A56-C359 HydrophobicContact CB-CB 3.73Å
57	A	97.9	Very high	97.9	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.1	175.6	0	0	0	0	0	113.9	I53 F54 D55 A59 I327 V362	I53-A57 WeakPolarHBondContact O-CB 3.1Å; I53-A57 PolarHBondContact O-N 3.44Å; F54-A57 CarbonylContact O-C 3.59Å; F54-A57 PolarHBondContact O-N 2.9Å; D55-A57 PolarHBondContact O-N 3.42Å; A57-A59 PolarHBondContact O-N 3.06Å; A57-I327 HydrophobicContact CB-CD1 3.74Å; A57-I327 HydrophobicContact CB-CG1 3.71Å; A57-V362 HydrophobicContact CB-CG1 3.54Å
58	K	97	Very high	97.6	Very high	155 Å²	155	50 Å²	50	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	40.3	-170.2	-56	171.3	-173.8	156.9	0	111.4	F54 D55 A56 H323 D366	F54-K58 PolarHBondContact O-N 2.78Å; F54-K58 VanDerWaalsContact O-N 3.11Å; D55-K58 PolarHBondContact O-N 3.48Å; A56-K58 VanDerWaalsContact C-N 3.27Å; K58-H323 PolarHBondContact O-NE2 2.92Å; K58-D366 IonicContact NZ-OD2 3.33Å
59	A	97.5	Very high	97.2	Very high	15 Å²	15	51 Å²	51	12%	0.124	25%	0.25	C	S	.	.			trans	-63.8	134.2	176.2	0	0	0	0	0	109.3	F54 A57 I61	F54-A59 HydrophobicContact CB-CB 4.18Å; F54-A59 HydrophobicContact CD1-CB 3.78Å; F54-A59 HydrophobicContact CG-CB 4.2Å; F54-A59 PolarHBondContact O-N 3.29Å; A57-A59 PolarHBondContact O-N 3.06Å; A59-I61 HydrophobicContact CB-CG1 4.27Å; A59-I61 PolarHBondContact O-N 3.28Å
60	P	97.1	Very high	96.6	Very high	33 Å²	33	51.2 Å²	51.2	21%	0.214	25%	0.253	C	S	.	.	S	Bend	trans	-78	57.7	-176.9	33.6	-37.5	0	0	0	111.1	V31 Q32 L320	V31-P60 WeakPolarHBondContact CA-O 3.48Å; Q32-P60 PolarHBondContact N-O 3.47Å; P60-L320 HydrophobicContact CG-CD1 3.93Å; P60-L320 HydrophobicContact CG-CD2 3.68Å; P60-L320 HydrophobicContact CG-CG 4.47Å
61	I	97.8	Very high	96.2	Very high	20 Å²	20	54.5 Å²	54.5	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.5	-175.8	-58.9	-62.4	0	0	0	109.6	Q32 V34 F54 A59 W63 L315 M318 L320	Q32-I61 HydrophobicContact CB-CD1 4.42Å; Q32-I61 CarbonylContact O-C 3.59Å; Q32-I61 WeakPolarHBondContact O-CA 3.22Å; V34-I61 HydrophobicContact CB-CG2 4.03Å; V34-I61 HydrophobicContact CG2-CD1 3.98Å; V34-I61 HydrophobicContact CG2-CG2 3.81Å; F54-I61 HydrophobicContact CD1-CB 4.4Å; F54-I61 HydrophobicContact CD1-CG1 4.14Å; F54-I61 HydrophobicContact CE1-CG1 4.29Å; A59-I61 HydrophobicContact CB-CG1 4.27Å; A59-I61 PolarHBondContact O-N 3.28Å; I61-W63 HydrophobicContact CG2-CD2 3.9Å; I61-W63 HydrophobicContact CG2-CE3 4.01Å; I61-W63 HydrophobicContact CG2-CH2 4.03Å; I61-W63 HydrophobicContact CG2-CZ2 3.89Å; I61-W63 HydrophobicContact CG2-CZ3 4.08Å; I61-L315 HydrophobicContact CD1-CD2 4.25Å; I61-L315 HydrophobicContact CG1-CD2 4.09Å; I61-M318 HydrophobicContact CD1-CE 3.45Å; I61-M318 VanDerWaalsContact CD1-CE 3.45Å; I61-M318 HydrophobicContact CD1-SD 3.98Å; I61-L320 HydrophobicContact CD1-CD1 3.87Å
62	Q	97.8	Very high	95.7	Very high	116 Å²	116	58.5 Å²	58.5	54%	0.542	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.2	167	-178.9	177.4	6.5	0	0	109	V31 Q32 T33 V34	V31-Q62 HydrophobicContact CG1-CB 3.74Å; Q32-Q62 PolarHBondContact O-N 3.02Å; T33-Q62 CarbonylContact C-O 3.56Å; T33-Q62 VanDerWaalsContact CA-O 3.25Å; T33-Q62 WeakPolarHBondContact CA-O 3.14Å; V34-Q62 PolarHBondContact N-O 3.37Å
63	W	98.3	Very high	95	Very high	50 Å²	50	55 Å²	55	19%	0.189	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.6	179.1	-54.8	107.6	0	0	0	111.1	V34 L36 M51 F54 I61 L95 M314	V34-W63 HydrophobicContact CB-CE3 4.01Å; V34-W63 HydrophobicContact CB-CZ3 4.01Å; V34-W63 HydrophobicContact CG1-CE3 4Å; V34-W63 HydrophobicContact CG1-CZ3 3.68Å; L36-W63 HydrophobicContact CB-CB 4.4Å; L36-W63 HydrophobicContact CB-CE3 4.06Å; L36-W63 HydrophobicContact CD2-CB 4.44Å; M51-W63 HydrophobicContact CG-CD2 4.23Å; M51-W63 HydrophobicContact CG-CG 4.09Å; M51-W63 HydrophobicContact SD-CB 4.26Å; M51-W63 HydrophobicContact SD-CG 3.96Å; F54-W63 HydrophobicContact CB-CZ2 4.12Å; F54-W63 AromaticContact CD1-CH2 3.94Å; F54-W63 HydrophobicContact CD1-CH2 3.94Å; F54-W63 AromaticContact CD1-CZ2 3.44Å; F54-W63 HydrophobicContact CD1-CZ2 3.44Å; F54-W63 VanDerWaalsContact CD1-CZ2 3.44Å; F54-W63 AromaticContact CE1-CH2 3.91Å; F54-W63 HydrophobicContact CE1-CH2 3.91Å; F54-W63 AromaticContact CE1-CZ2 3.92Å; F54-W63 HydrophobicContact CE1-CZ2 3.92Å; F54-W63 AromaticContact CG-CZ2 3.79Å; F54-W63 HydrophobicContact CG-CZ2 3.79Å; I61-W63 HydrophobicContact CG2-CD2 3.9Å; I61-W63 HydrophobicContact CG2-CE3 4.01Å; I61-W63 HydrophobicContact CG2-CH2 4.03Å; I61-W63 HydrophobicContact CG2-CZ2 3.89Å; I61-W63 HydrophobicContact CG2-CZ3 4.08Å; W63-L95 HydrophobicContact CH2-CD2 3.82Å; W63-L95 HydrophobicContact CZ3-CB 4.12Å; W63-L95 HydrophobicContact CZ3-CD2 3.92Å; W63-M314 HydrophobicContact CH2-CE 3.89Å; W63-M314 HydrophobicContact CZ3-CE 4.05Å
64	E	98.1	Very high	94.4	Very high	40 Å²	40	60.8 Å²	60.8	19%	0.187	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	98.1	169.1	-175.8	178	-150	0	0	108.8	T33 V34 T35 L36 R66 S87 N91	T33-E64 HydrophobicContact CG2-CB 3.71Å; V34-E64 PolarHBondContact O-N 3Å; T35-E64 CarbonylContact C-O 3.59Å; T35-E64 WeakPolarHBondContact CA-O 3.25Å; L36-E64 PolarHBondContact N-O 2.82Å; E64-R66 IonicContact OE1-CZ 2.6Å; E64-R66 IonicContact OE1-NE 3.87Å; E64-R66 IonicContact OE1-NH2 3.93Å; E64-R66 PolarHBondContact OE1-NH2 3Å; E64-S87 VanDerWaalsContact CD-OG 3.24Å; E64-S87 WeakPolarHBondContact OE2-CB 3.32Å; E64-S87 PolarHBondContact OE2-OG 2.65Å; E64-N91 PolarHBondContact OE2-ND2 3.01Å
65	E	98.1	Very high	93.9	Very high	109 Å²	109	64.8 Å²	64.8	51%	0.509	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.6	-177.8	-73.5	-176.3	-142.4	0	0	112.5	L36 P38	L36-E65 HydrophobicContact CB-CG 4.12Å; L36-E65 HydrophobicContact CD2-CG 3.91Å; L36-E65 HydrophobicContact CG-CG 4.25Å; L36-E65 CarbonylContact O-C 3.51Å; L36-E65 VanDerWaalsContact O-CA 3.3Å; L36-E65 WeakPolarHBondContact O-CA 3.37Å; P38-E65 HydrophobicContact CG-CG 4.39Å
66	R	97.2	Very high	93.3	Very high	74 Å²	74	60.6 Å²	60.6	28%	0.279	34%	0.344	S	S	.	.			trans	-138.6	141.2	178.4	-66.5	-66.9	175.1	-108.7	9.5	111.6	T35 L36 E64 E83 A84	T35-R66 HydrophobicContact CG2-CB 3.99Å; T35-R66 HydrophobicContact CG2-CG 3.82Å; L36-R66 PolarHBondContact O-N 2.99Å; E64-R66 IonicContact OE1-CZ 2.6Å; E64-R66 IonicContact OE1-NE 3.87Å; E64-R66 IonicContact OE1-NH2 3.93Å; E64-R66 PolarHBondContact OE1-NH2 3Å; R66-E83 PolarHBondContact NE-O 3.49Å; R66-A84 HydrophobicContact CB-CB 3.97Å; R66-A84 HydrophobicContact CG-CB 4.47Å
67	N	93.5	Very high	92.7	Very high	99 Å²	99	68.1 Å²	68.1	53%	0.529	38%	0.375	S	S	.	.			trans	-90.5	135.1	169.7	-168.9	-55.2	0	0	0	109	T69 P81 A84	N67-T69 WeakPolarHBondContact OD1-CB 3.42Å; N67-T69 PolarHBondContact OD1-N 3.06Å; N67-T69 PolarHBondContact OD1-OG1 3.27Å; N67-P81 WeakPolarHBondContact O-CG 3.42Å; N67-A84 WeakPolarHBondContact O-CB 3.45Å
68	V	93.1	Very high	92.3	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.024	39%	0.391	C	S	.	.			trans	-111.6	4.9	-179.1	-63.4	0	0	0	0	113.8	I37 A70 I80 A84 L99 M110 L114	I37-V68 HydrophobicContact CD1-CG1 3.6Å; I37-V68 HydrophobicContact CG1-CG1 3.79Å; I37-V68 HydrophobicContact CG2-CB 4.42Å; I37-V68 HydrophobicContact CG2-CG1 4.01Å; I37-V68 HydrophobicContact CG2-CG2 3.59Å; V68-A70 PolarHBondContact O-N 2.9Å; V68-I80 HydrophobicContact CB-CG2 4.46Å; V68-A84 HydrophobicContact CG1-CB 4.07Å; V68-L99 HydrophobicContact CG2-CD1 3.75Å; V68-L99 HydrophobicContact CG2-CD2 3.9Å; V68-M110 WeakPolarHBondContact O-CE 3.21Å; V68-L114 HydrophobicContact CB-CD2 4.31Å; V68-L114 HydrophobicContact CG1-CD2 4.13Å; V68-L114 HydrophobicContact CG2-CD1 4.39Å
69	T	89.5	Confident	92.1	Very high	69 Å²	69	68 Å²	68	42%	0.423	37%	0.374	S	S	.	.			trans	-49	128.2	-179.2	-56.3	0	0	0	0	110.2	N67 I71 P81	N67-T69 WeakPolarHBondContact OD1-CB 3.42Å; N67-T69 PolarHBondContact OD1-N 3.06Å; N67-T69 PolarHBondContact OD1-OG1 3.27Å; T69-I71 PolarHBondContact O-N 3.17Å; T69-P81 WeakPolarHBondContact O-CD 3.43Å; T69-P81 WeakPolarHBondContact O-CG 3.31Å
70	A	87.3	Confident	91.9	Very high	11 Å²	11	67.3 Å²	67.3	9%	0.091	37%	0.368	C	S	.	.			trans	-62.2	136.9	-174.4	0	0	0	0	0	112.1	V68 W78 M79 H107 M110 L113	V68-A70 PolarHBondContact O-N 2.9Å; A70-W78 HydrophobicContact CB-CE3 3.87Å; A70-W78 HydrophobicContact CB-CZ3 4.46Å; A70-M79 WeakPolarHBondContact CA-O 3.46Å; A70-H107 HydrophobicContact CB-CB 3.49Å; A70-H107 VanDerWaalsContact CB-CB 3.49Å; A70-M110 HydrophobicContact CB-CE 3.91Å; A70-M110 HydrophobicContact CB-SD 3.48Å; A70-M110 WeakPolarHBondContact CB-SD 3.35Å; A70-L113 HydrophobicContact CB-CD2 4.04Å
71	I	89.6	Confident	91.8	Very high	69 Å²	69	66.1 Å²	66.1	35%	0.354	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	159.3	172.3	62.2	166.7	0	0	0	109.7	T69 W78 M79 P81	T69-I71 PolarHBondContact O-N 3.17Å; I71-W78 WeakPolarHBondContact O-CA 3.42Å; I71-M79 HydrophobicContact CD1-CG 4.29Å; I71-M79 HydrophobicContact CG1-CG 3.81Å; I71-M79 WeakPolarHBondContact CG1-O 3.4Å; I71-M79 PolarHBondContact N-O 2.86Å; I71-M79 PolarHBondContact O-N 3.29Å; I71-P81 HydrophobicContact CG2-CG 4.37Å
72	Q	86.8	Confident	91.6	Very high	133 Å²	133	68.7 Å²	68.7	62%	0.621	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.7	172.2	-68.7	-172.8	-28.7	0	0	110.1	W78	Q72-W78 HydrophobicContact CG-CD2 4.31Å; Q72-W78 HydrophobicContact CG-CE3 3.88Å; Q72-W78 HydrophobicContact CG-CH2 3.82Å; Q72-W78 HydrophobicContact CG-CZ2 4.23Å; Q72-W78 HydrophobicContact CG-CZ3 3.63Å
73	G	85.7	Confident	91.5	Very high	17 Å²	17	67.8 Å²	67.8	18%	0.175	37%	0.374	C	S	.	.			trans	-88.9	-172.6	171.9	0	0	0	0	0	113	G75 G76 K77	G73-G75 PolarHBondContact O-N 3.32Å; G73-G76 PolarHBondContact O-N 3.12Å; G73-G76 VanDerWaalsContact O-N 3.08Å; G73-K77 PolarHBondContact N-O 3.42Å
74	P	85.8	Confident	91.4	Very high	120 Å²	120	65.5 Å²	65.5	78%	0.779	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-52.6	133.6	175.1	-25.6	34.6	0	0	0	112.3	G76	P74-G76 VanDerWaalsContact C-N 3.29Å; P74-G76 PolarHBondContact O-N 3.42Å
75	G	87.3	Confident	91.3	Very high	87 Å²	87	67.1 Å²	67.1	90%	0.897	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	73.2	15.3	-178.6	0	0	0	0	0	114.8	G73 K77	G73-G75 PolarHBondContact O-N 3.32Å; G75-K77 VanDerWaalsContact C-N 3.27Å; G75-K77 PolarHBondContact O-N 3.1Å
76	G	85.3	Confident	91.3	Very high	42 Å²	42	68.5 Å²	68.5	43%	0.433	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	76.8	9.6	175.7	0	0	0	0	0	114.5	G73 P74	G73-G76 PolarHBondContact O-N 3.12Å; G73-G76 VanDerWaalsContact O-N 3.08Å; P74-G76 VanDerWaalsContact C-N 3.29Å; P74-G76 PolarHBondContact O-N 3.42Å
77	K	86.8	Confident	91.3	Very high	165 Å²	165	65.1 Å²	65.1	72%	0.717	37%	0.366	S	S	*	.			trans	-71.9	131.7	176.1	-68.9	-175.1	179.9	-179.8	0	110.2	G73 G75	G73-K77 PolarHBondContact N-O 3.42Å; G75-K77 VanDerWaalsContact C-N 3.27Å; G75-K77 PolarHBondContact O-N 3.1Å
78	W	89.2	Confident	91.5	Very high	89 Å²	89	60.5 Å²	60.5	34%	0.337	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.8	172.2	-65.2	106.6	0	0	0	111.1	A70 I71 Q72 H107 P108	A70-W78 HydrophobicContact CB-CE3 3.87Å; A70-W78 HydrophobicContact CB-CZ3 4.46Å; I71-W78 WeakPolarHBondContact O-CA 3.42Å; Q72-W78 HydrophobicContact CG-CD2 4.31Å; Q72-W78 HydrophobicContact CG-CE3 3.88Å; Q72-W78 HydrophobicContact CG-CH2 3.82Å; Q72-W78 HydrophobicContact CG-CZ2 4.23Å; Q72-W78 HydrophobicContact CG-CZ3 3.63Å; W78-H107 HydrophobicContact CD2-CB 3.57Å; W78-H107 HydrophobicContact CE3-CB 3.6Å; W78-H107 HydrophobicContact CG-CB 4.06Å; W78-H107 HydrophobicContact CH2-CB 4.21Å; W78-H107 HydrophobicContact CZ2-CB 4.21Å; W78-H107 HydrophobicContact CZ3-CB 3.92Å; W78-P108 HydrophobicContact CB-CG 4Å; W78-P108 HydrophobicContact CG-CG 4.34Å
79	M	92.2	Very high	91.6	Very high	65 Å²	65	63.1 Å²	63.1	32%	0.32	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161.6	176.4	63.5	-176.4	-64.5	0	0	110.8	A70 I71	A70-M79 WeakPolarHBondContact CA-O 3.46Å; I71-M79 HydrophobicContact CD1-CG 4.29Å; I71-M79 HydrophobicContact CG1-CG 3.81Å; I71-M79 WeakPolarHBondContact CG1-O 3.4Å; I71-M79 PolarHBondContact N-O 2.86Å; I71-M79 PolarHBondContact O-N 3.29Å
80	I	93.3	Very high	92	Very high	2 Å²	2	67 Å²	67	1%	0.01	37%	0.367	C	S	.	.			trans	-75.6	158.1	169	64.2	173.6	0	0	0	110.3	V68 K85 M110 L113 L114 T117 F118	V68-I80 HydrophobicContact CB-CG2 4.46Å; I80-K85 HydrophobicContact CD1-CB 3.93Å; I80-K85 HydrophobicContact CD1-CG 4.42Å; I80-K85 HydrophobicContact CG1-CB 4.16Å; I80-M110 HydrophobicContact CG2-CE 4.15Å; I80-L113 HydrophobicContact CG2-CD2 3.94Å; I80-L113 HydrophobicContact CG2-CG 4.09Å; I80-L114 HydrophobicContact CD1-CD2 4.15Å; I80-L114 HydrophobicContact CG2-CD2 3.89Å; I80-L114 HydrophobicContact CG2-CG 4.49Å; I80-T117 HydrophobicContact CD1-CG2 3.91Å; I80-T117 HydrophobicContact CG1-CG2 4.24Å; I80-F118 HydrophobicContact CD1-CE2 3.65Å; I80-F118 HydrophobicContact CD1-CZ 3.47Å; I80-F118 VanDerWaalsContact CD1-CZ 3.47Å
81	P	94.4	Very high	92.4	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.052	37%	0.368	C	S	.	.			trans	-57.5	138.5	177.1	-24.8	36.1	0	0	0	112.4	N67 T69 I71 E83 A84 K85	N67-P81 WeakPolarHBondContact O-CG 3.42Å; T69-P81 WeakPolarHBondContact O-CD 3.43Å; T69-P81 WeakPolarHBondContact O-CG 3.31Å; I71-P81 HydrophobicContact CG2-CG 4.37Å; P81-E83 VanDerWaalsContact C-N 3.25Å; P81-E83 HydrophobicContact CB-CG 4.36Å; P81-E83 WeakPolarHBondContact CB-OE1 3.4Å; P81-E83 WeakPolarHBondContact CB-OE2 3.47Å; P81-E83 PolarHBondContact O-N 3.13Å; P81-A84 WeakPolarHBondContact O-CB 3.42Å; P81-A84 PolarHBondContact O-N 2.8Å; P81-K85 PolarHBondContact O-N 2.61Å; P81-K85 VanDerWaalsContact O-N 3.1Å
82	P	94.9	Very high	92.8	Very high	73 Å²	73	67.8 Å²	67.8	47%	0.474	37%	0.367	S	S	.	.	H	α-helix	trans	-54.7	-38.2	-177.1	-27.4	35.6	0	0	0	113.8	A84 K85 E86	P82-A84 VanDerWaalsContact C-N 3.33Å; P82-A84 PolarHBondContact O-N 2.61Å; P82-K85 WeakPolarHBondContact O-CB 3.4Å; P82-K85 PolarHBondContact O-N 2.97Å; P82-E86 WeakPolarHBondContact O-CB 3.45Å; P82-E86 PolarHBondContact O-N 3.28Å
83	E	96.3	Very high	93.3	Very high	98 Å²	98	61.9 Å²	61.9	46%	0.458	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-32.8	178.8	65.3	-82	-166.2	0	0	113.1	R66 P81 S87	R66-E83 PolarHBondContact NE-O 3.49Å; P81-E83 VanDerWaalsContact C-N 3.25Å; P81-E83 HydrophobicContact CB-CG 4.36Å; P81-E83 WeakPolarHBondContact CB-OE1 3.4Å; P81-E83 WeakPolarHBondContact CB-OE2 3.47Å; P81-E83 PolarHBondContact O-N 3.13Å; E83-S87 VanDerWaalsContact O-CB 3.29Å; E83-S87 WeakPolarHBondContact O-CB 3.21Å; E83-S87 PolarHBondContact O-N 2.86Å; E83-S87 VanDerWaalsContact O-N 3.07Å
84	A	96	Very high	93.9	Very high	2 Å²	2	61 Å²	61	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-74.3	-39.7	174.5	0	0	0	0	0	110.7	R66 N67 V68 P81 P82 M88	R66-A84 HydrophobicContact CB-CB 3.97Å; R66-A84 HydrophobicContact CG-CB 4.47Å; N67-A84 WeakPolarHBondContact O-CB 3.45Å; V68-A84 HydrophobicContact CG1-CB 4.07Å; P81-A84 WeakPolarHBondContact O-CB 3.42Å; P81-A84 PolarHBondContact O-N 2.8Å; P82-A84 VanDerWaalsContact C-N 3.33Å; P82-A84 PolarHBondContact O-N 2.61Å; A84-M88 WeakPolarHBondContact O-CG 3.33Å; A84-M88 PolarHBondContact O-N 2.63Å
85	K	96.1	Very high	94.5	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-47.3	173.9	-169	-176	-179.4	-62.3	0	111.6	I80 P81 P82 M88 D89 T117 F118	I80-K85 HydrophobicContact CD1-CB 3.93Å; I80-K85 HydrophobicContact CD1-CG 4.42Å; I80-K85 HydrophobicContact CG1-CB 4.16Å; P81-K85 PolarHBondContact O-N 2.61Å; P81-K85 VanDerWaalsContact O-N 3.1Å; P82-K85 WeakPolarHBondContact O-CB 3.4Å; P82-K85 PolarHBondContact O-N 2.97Å; K85-M88 PolarHBondContact O-N 2.86Å; K85-D89 IonicContact NZ-OD1 2.83Å; K85-D89 IonicContact NZ-OD2 2.65Å; K85-D89 PolarHBondContact NZ-OD2 2.91Å; K85-D89 WeakPolarHBondContact O-CB 3.41Å; K85-D89 PolarHBondContact O-N 3.12Å; K85-T117 HydrophobicContact CD-CG2 4.25Å; K85-T117 HydrophobicContact CG-CG2 4.29Å; K85-F118 HydrophobicContact CG-CE1 4.09Å; K85-F118 HydrophobicContact CG-CZ 4.39Å
86	E	97	Very high	95	Very high	137 Å²	137	51.4 Å²	51.4	64%	0.64	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-45.6	179.1	-176.3	-178.3	-180	0	0	111.6	P82 M88 D89 K90	P82-E86 WeakPolarHBondContact O-CB 3.45Å; P82-E86 PolarHBondContact O-N 3.28Å; E86-M88 PolarHBondContact O-N 3.07Å; E86-D89 PolarHBondContact O-N 3.09Å; E86-K90 VanDerWaalsContact O-CB 3.28Å; E86-K90 WeakPolarHBondContact O-CB 3.14Å; E86-K90 PolarHBondContact O-N 3.44Å
87	S	97.8	Very high	95.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-49	175.7	176.2	0	0	0	0	111.7	T35 E64 E83 D89 K90 N91	T35-S87 WeakPolarHBondContact CG2-OG 3.2Å; T35-S87 PolarHBondContact OG1-O 2.86Å; T35-S87 PolarHBondContact OG1-OG 3.48Å; E64-S87 VanDerWaalsContact CD-OG 3.24Å; E64-S87 WeakPolarHBondContact OE2-CB 3.32Å; E64-S87 PolarHBondContact OE2-OG 2.65Å; E83-S87 VanDerWaalsContact O-CB 3.29Å; E83-S87 WeakPolarHBondContact O-CB 3.21Å; E83-S87 PolarHBondContact O-N 2.86Å; E83-S87 VanDerWaalsContact O-N 3.07Å; S87-D89 PolarHBondContact O-N 3.26Å; S87-K90 PolarHBondContact O-N 3.29Å; S87-N91 VanDerWaalsContact O-CB 3.29Å; S87-N91 WeakPolarHBondContact O-CB 3.32Å; S87-N91 VanDerWaalsContact O-CG 3.28Å; S87-N91 PolarHBondContact O-N 3.33Å; S87-N91 PolarHBondContact O-ND2 3.27Å; S87-N91 PolarHBondContact OG-ND2 3.12Å
88	M	97	Very high	96	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-40.6	176.6	-76.8	-60.7	-47.5	0	0	112.8	T35 A84 K85 E86 K90 K92 F118 V283 I285	T35-M88 WeakPolarHBondContact CB-SD 3.37Å; T35-M88 HydrophobicContact CG2-CG 4.04Å; T35-M88 HydrophobicContact CG2-SD 3.72Å; A84-M88 WeakPolarHBondContact O-CG 3.33Å; A84-M88 PolarHBondContact O-N 2.63Å; K85-M88 PolarHBondContact O-N 2.86Å; E86-M88 PolarHBondContact O-N 3.07Å; M88-K90 VanDerWaalsContact C-N 3.29Å; M88-K90 PolarHBondContact O-N 3.21Å; M88-K92 VanDerWaalsContact O-CA 3.24Å; M88-K92 WeakPolarHBondContact O-CA 3.34Å; M88-K92 PolarHBondContact O-N 3.39Å; M88-F118 HydrophobicContact CB-CD1 4.3Å; M88-F118 HydrophobicContact CB-CE1 3.44Å; M88-F118 VanDerWaalsContact CB-CE1 3.44Å; M88-F118 HydrophobicContact CB-CE2 4.14Å; M88-F118 HydrophobicContact CB-CZ 3.34Å; M88-F118 HydrophobicContact CG-CE1 4.19Å; M88-F118 HydrophobicContact CG-CE2 3.97Å; M88-F118 HydrophobicContact CG-CZ 3.58Å; M88-V283 HydrophobicContact CE-CG1 3.58Å; M88-I285 HydrophobicContact CE-CD1 4Å; M88-I285 HydrophobicContact CE-CG1 3.62Å; M88-I285 HydrophobicContact SD-CD1 4.49Å; M88-I285 HydrophobicContact SD-CG1 4.46Å
89	D	95.9	Very high	96.2	Very high	59 Å²	59	38.4 Å²	38.4	32%	0.316	19%	0.187	S	C	.	.	H	α-helix	trans	-65.9	-33.2	177.9	-78.5	-26.9	0	0	0	112	K85 E86 S87 K92	K85-D89 IonicContact NZ-OD1 2.83Å; K85-D89 IonicContact NZ-OD2 2.65Å; K85-D89 PolarHBondContact NZ-OD2 2.91Å; K85-D89 WeakPolarHBondContact O-CB 3.41Å; K85-D89 PolarHBondContact O-N 3.12Å; E86-D89 PolarHBondContact O-N 3.09Å; S87-D89 PolarHBondContact O-N 3.26Å; D89-K92 WeakPolarHBondContact O-CD 3.38Å; D89-K92 WeakPolarHBondContact O-CE 3.4Å; D89-K92 PolarHBondContact O-NZ 3.07Å
90	K	96.8	Very high	95.9	Very high	150 Å²	150	42.2 Å²	42.2	65%	0.652	20%	0.201	S	C	*	.	H	α-helix	trans	-75.9	-53.8	176.1	178.4	-172.7	170.9	-168.4	0	111.9	E86 S87 M88	E86-K90 VanDerWaalsContact O-CB 3.28Å; E86-K90 WeakPolarHBondContact O-CB 3.14Å; E86-K90 PolarHBondContact O-N 3.44Å; S87-K90 PolarHBondContact O-N 3.29Å; M88-K90 VanDerWaalsContact C-N 3.29Å; M88-K90 PolarHBondContact O-N 3.21Å
91	N	97	Very high	95	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-82.7	-24.7	-170.1	-62.6	-21.4	0	0	0	113.1	T33 T35 E64 S87 M93	T33-N91 WeakPolarHBondContact O-CB 3.09Å; T35-N91 PolarHBondContact OG1-ND2 2.74Å; E64-N91 PolarHBondContact OE2-ND2 3.01Å; S87-N91 VanDerWaalsContact O-CB 3.29Å; S87-N91 WeakPolarHBondContact O-CB 3.32Å; S87-N91 VanDerWaalsContact O-CG 3.28Å; S87-N91 PolarHBondContact O-N 3.33Å; S87-N91 PolarHBondContact O-ND2 3.27Å; S87-N91 PolarHBondContact OG-ND2 3.12Å; N91-M93 PolarHBondContact O-N 3.39Å
92	K	97.4	Very high	93.9	Very high	75 Å²	75	46.8 Å²	46.8	33%	0.326	23%	0.231	S	C	.	.			trans	62.8	-20.5	-175.4	-52.7	-57.9	-172.2	-167.4	0	115.7	M88 D89 V283 A284	M88-K92 VanDerWaalsContact O-CA 3.24Å; M88-K92 WeakPolarHBondContact O-CA 3.34Å; M88-K92 PolarHBondContact O-N 3.39Å; D89-K92 WeakPolarHBondContact O-CD 3.38Å; D89-K92 WeakPolarHBondContact O-CE 3.4Å; D89-K92 PolarHBondContact O-NZ 3.07Å; K92-V283 HydrophobicContact CD-CG2 3.78Å; K92-V283 CarbonylContact O-C 3.5Å; K92-V283 VanDerWaalsContact O-CA 3.23Å; K92-V283 WeakPolarHBondContact O-CA 3.24Å; K92-A284 PolarHBondContact O-N 2.86Å
93	M	98.1	Very high	92.1	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.8	-178.5	-61.7	-59.8	125.8	0	0	110.8	V34 T35 N91 G282 A284 M318	V34-M93 HydrophobicContact CG1-CB 4.38Å; V34-M93 HydrophobicContact CG2-CB 4.11Å; T35-M93 PolarHBondContact N-O 2.93Å; N91-M93 PolarHBondContact O-N 3.39Å; M93-G282 WeakPolarHBondContact CE-O 3.47Å; M93-A284 HydrophobicContact CE-CB 4.28Å; M93-A284 HydrophobicContact SD-CB 4.1Å; M93-M318 HydrophobicContact CB-SD 4.4Å; M93-M318 HydrophobicContact CG-CE 4.45Å; M93-M318 HydrophobicContact CG-CG 3.97Å; M93-M318 HydrophobicContact CG-SD 4.08Å; M93-M318 HydrophobicContact SD-CG 4.16Å
94	G	98.2	Very high	90.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.6	176.1	0	0	0	0	0	113.1	T35 A284 I285 F286	T35-G94 CarbonylContact O-C 3.59Å; T35-G94 WeakPolarHBondContact O-CA 3.46Å; G94-A284 PolarHBondContact N-O 3.41Å; G94-I285 WeakPolarHBondContact O-CA 3.37Å; G94-F286 PolarHBondContact O-N 3.3Å
95	L	98.6	Very high	88.2	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.7	167.6	-176.3	66.8	0	0	0	108.9	T35 L36 I37 V50 W63 F286 L307 A311 M314	T35-L95 PolarHBondContact O-N 3.36Å; L36-L95 HydrophobicContact CD1-CB 4.16Å; L36-L95 HydrophobicContact CD1-CD2 4.14Å; L36-L95 HydrophobicContact CD1-CG 4.28Å; I37-L95 PolarHBondContact N-O 3.08Å; V50-L95 HydrophobicContact CG1-CD2 3.87Å; W63-L95 HydrophobicContact CH2-CD2 3.82Å; W63-L95 HydrophobicContact CZ3-CB 4.12Å; W63-L95 HydrophobicContact CZ3-CD2 3.92Å; L95-F286 CarbonylContact C-O 3.57Å; L95-F286 WeakPolarHBondContact CA-O 3.36Å; L95-F286 HydrophobicContact CD1-CB 4.1Å; L95-L307 HydrophobicContact CD1-CD1 3.66Å; L95-L307 HydrophobicContact CD1-CG 4.29Å; L95-L307 HydrophobicContact CD2-CG 4.46Å; L95-L307 HydrophobicContact CG-CD1 3.95Å; L95-L307 HydrophobicContact CG-CG 4.43Å; L95-A311 HydrophobicContact CD1-CB 3.84Å; L95-A311 HydrophobicContact CD2-CB 3.79Å; L95-A311 HydrophobicContact CG-CB 4.49Å; L95-M314 HydrophobicContact CB-SD 4.2Å
96	K	97.8	Very high	86.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.017	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.7	-169.6	-168.6	-166.4	66.9	72.3	0	112.5	I37 L99 N111 L114 I285 F286 E287 S288 L307	I37-K96 HydrophobicContact CB-CB 4.22Å; I37-K96 HydrophobicContact CB-CG 3.87Å; I37-K96 HydrophobicContact CD1-CB 4.26Å; I37-K96 HydrophobicContact CD1-CD 4.43Å; I37-K96 HydrophobicContact CD1-CG 4.02Å; I37-K96 HydrophobicContact CG2-CG 3.89Å; I37-K96 WeakPolarHBondContact O-CA 3.34Å; K96-L99 HydrophobicContact CD-CD1 3.78Å; K96-L99 HydrophobicContact CD-CG 4.26Å; K96-L99 HydrophobicContact CG-CD1 4.42Å; K96-N111 WeakPolarHBondContact CE-OD1 2.76Å; K96-N111 PolarHBondContact NZ-OD1 3.04Å; K96-L114 HydrophobicContact CD-CD1 3.56Å; K96-I285 HydrophobicContact CB-CG2 3.79Å; K96-I285 HydrophobicContact CD-CG2 4.34Å; K96-F286 PolarHBondContact N-O 3.25Å; K96-E287 HydrophobicContact CB-CB 4.17Å; K96-E287 WeakPolarHBondContact CE-OE2 3.27Å; K96-E287 IonicContact NZ-OE2 3.82Å; K96-E287 PolarHBondContact NZ-OE2 3.06Å; K96-E287 VanDerWaalsContact O-CA 3.28Å; K96-E287 WeakPolarHBondContact O-CA 3.35Å; K96-S288 PolarHBondContact O-N 3.24Å; K96-L307 VanDerWaalsContact O-CD1 3.32Å; K96-L307 WeakPolarHBondContact O-CD1 3.14Å
97	G	97.1	Very high	85.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.293	C	S	.	.			trans	-67.1	-179.9	166	0	0	0	0	0	113.5	I37	I37-G97 PolarHBondContact O-N 3.23Å
98	P	95.5	Very high	84.1	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.013	31%	0.308	C	S	.	.			trans	-67.1	141.3	175.9	29.9	-35.2	0	0	0	110	G39 D40 I42 S288 H290 G291 T292	G39-P98 CarbonylContact C-O 3.55Å; G39-P98 WeakPolarHBondContact CA-O 3.38Å; D40-P98 PolarHBondContact N-O 3.3Å; I42-P98 HydrophobicContact CG1-CG 4.2Å; P98-S288 WeakPolarHBondContact CD-OG 3.36Å; P98-H290 WeakPolarHBondContact CB-O 3.22Å; P98-G291 WeakPolarHBondContact CB-O 3.26Å; P98-T292 HydrophobicContact CB-CG2 3.96Å; P98-T292 HydrophobicContact CG-CG2 4.34Å
99	L	92.9	Very high	83.5	Confident	21 Å²	21	54.6 Å²	54.6	11%	0.11	32%	0.321	C	S	.	.			trans	-113.9	135.5	177.1	-67.3	177.1	0	0	0	110.2	I37 D40 V68 K96 M110 L114	I37-L99 HydrophobicContact CG2-CD2 4.3Å; D40-L99 WeakPolarHBondContact OD2-CA 3.42Å; V68-L99 HydrophobicContact CG2-CD1 3.75Å; V68-L99 HydrophobicContact CG2-CD2 3.9Å; K96-L99 HydrophobicContact CD-CD1 3.78Å; K96-L99 HydrophobicContact CD-CG 4.26Å; K96-L99 HydrophobicContact CG-CD1 4.42Å; L99-M110 HydrophobicContact CB-CB 4.26Å; L99-M110 HydrophobicContact CD1-CB 3.65Å; L99-L114 HydrophobicContact CD1-CD1 3.86Å
100	K	86.2	Confident	83.1	Confident	144 Å²	144	52 Å²	52	63%	0.626	31%	0.307	S	S	*	.			trans	-71	133.2	173.4	-171.7	177.2	179.6	-179.2	0	109.2	D40 T292	D40-K100 HydrophobicContact CB-CB 4.14Å; D40-K100 PolarHBondContact OD2-N 3.26Å; K100-T292 HydrophobicContact CB-CG2 4.24Å
101	T	74.5	Confident	82.7	Confident	57 Å²	57	46.7 Å²	46.7	35%	0.35	29%	0.286	S	S	.	.			trans	-114.8	125.7	170.3	-59.7	0	0	0	0	109
102	P	70.1	Confident	82.3	Confident	50 Å²	50	47.4 Å²	47.4	33%	0.325	29%	0.289	S	S	.	.			trans	-68.2	138.4	172.7	26.4	-30.5	0	0	0	110.9	H107	P102-H107 WeakPolarHBondContact CD-CE1 3.42Å
103	I	58.8	Low	82	Confident	178 Å²	178	44.7 Å²	44.7	91%	0.913	28%	0.278	S	S	*	.	S	Bend	trans	-82	-32.1	-171.4	-61.5	171.1	0	0	0	113
104	A	53.4	Low	81.7	Confident	103 Å²	103	44.5 Å²	44.5	85%	0.851	28%	0.277	S	S	*	.	S	Bend	trans	-120.1	-40.7	-163.2	0	0	0	0	0	115.3
105	A	55.2	Low	81.5	Confident	87 Å²	87	45.7 Å²	45.7	72%	0.719	28%	0.282	S	S	*	.	S	Bend	trans	-148.5	141.2	-178.1	0	0	0	0	0	109.9
106	G	63.3	Low	81.1	Confident	54 Å²	54	51 Å²	51	56%	0.557	31%	0.305	S	S	*	.	S	Bend	trans	135.1	-150.2	176.9	0	0	0	0	0	113.5
107	H	68.5	Low	80.9	Confident	39 Å²	39	53 Å²	53	18%	0.181	32%	0.317	C	S	.	.	S	Bend	trans	-70.4	155.1	177.4	63	72.7	0	0	0	111.6	A70 W78 P102 M110	A70-H107 HydrophobicContact CB-CB 3.49Å; A70-H107 VanDerWaalsContact CB-CB 3.49Å; W78-H107 HydrophobicContact CD2-CB 3.57Å; W78-H107 HydrophobicContact CE3-CB 3.6Å; W78-H107 HydrophobicContact CG-CB 4.06Å; W78-H107 HydrophobicContact CH2-CB 4.21Å; W78-H107 HydrophobicContact CZ2-CB 4.21Å; W78-H107 HydrophobicContact CZ3-CB 3.92Å; P102-H107 WeakPolarHBondContact CD-CE1 3.42Å; H107-M110 VanDerWaalsContact CE1-CG 3.49Å; H107-M110 WeakPolarHBondContact CE1-CG 3.35Å; H107-M110 PolarHBondContact CE1-SD 3.35Å; H107-M110 PolarHBondContact ND1-SD 3.32Å
108	P	74.2	Confident	80.8	Confident	53 Å²	53	53.4 Å²	53.4	34%	0.344	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-59.7	167.6	171.7	27.9	-37	0	0	0	111.2	W78 M110	W78-P108 HydrophobicContact CB-CG 4Å; W78-P108 HydrophobicContact CG-CG 4.34Å; P108-M110 PolarHBondContact O-N 3.47Å; P108-M110 VanDerWaalsContact O-N 3.13Å
109	S	83.4	Confident	80.7	Confident	40 Å²	40	55.8 Å²	55.8	28%	0.28	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-46.9	123.9	171.2	174.1	0	0	0	0	110.9	N111 L112 L113	S109-N111 PolarHBondContact O-N 3.33Å; S109-L112 WeakPolarHBondContact O-CB 3.47Å; S109-L112 PolarHBondContact O-N 3.15Å; S109-L112 VanDerWaalsContact O-N 3.1Å; S109-L112 PolarHBondContact OG-N 2.8Å; S109-L113 PolarHBondContact O-N 3.35Å
110	M	87.6	Confident	80.9	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-35.2	-179.7	-66.4	-50.3	-50.6	0	0	112	V68 A70 I80 L99 H107 P108 L112 L113 L114	V68-M110 WeakPolarHBondContact O-CE 3.21Å; A70-M110 HydrophobicContact CB-CE 3.91Å; A70-M110 HydrophobicContact CB-SD 3.48Å; A70-M110 WeakPolarHBondContact CB-SD 3.35Å; I80-M110 HydrophobicContact CG2-CE 4.15Å; L99-M110 HydrophobicContact CB-CB 4.26Å; L99-M110 HydrophobicContact CD1-CB 3.65Å; H107-M110 VanDerWaalsContact CE1-CG 3.49Å; H107-M110 WeakPolarHBondContact CE1-CG 3.35Å; H107-M110 PolarHBondContact CE1-SD 3.35Å; H107-M110 PolarHBondContact ND1-SD 3.32Å; P108-M110 PolarHBondContact O-N 3.47Å; P108-M110 VanDerWaalsContact O-N 3.13Å; M110-L112 VanDerWaalsContact C-N 3.34Å; M110-L113 HydrophobicContact CE-CD2 3.84Å; M110-L113 PolarHBondContact O-N 3.08Å; M110-L113 HydrophobicContact SD-CD2 4.38Å; M110-L114 WeakPolarHBondContact O-CG 3.43Å; M110-L114 PolarHBondContact O-N 3.33Å
111	N	89.6	Confident	81.4	Confident	37 Å²	37	49.4 Å²	49.4	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-44	174.8	-63.6	-38	0	0	0	110.5	K96 S109 L114 R115	K96-N111 WeakPolarHBondContact CE-OD1 2.76Å; K96-N111 PolarHBondContact NZ-OD1 3.04Å; S109-N111 PolarHBondContact O-N 3.33Å; N111-L114 PolarHBondContact O-N 3.43Å; N111-R115 WeakPolarHBondContact O-CB 3.41Å; N111-R115 WeakPolarHBondContact O-CD 3.32Å; N111-R115 WeakPolarHBondContact O-CG 3.45Å; N111-R115 PolarHBondContact O-N 3.38Å
112	L	87.9	Confident	82.6	Confident	37 Å²	37	46.7 Å²	46.7	19%	0.194	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-40.6	175.7	-174.6	61.4	0	0	0	111.8	S109 M110 R115 K116	S109-L112 WeakPolarHBondContact O-CB 3.47Å; S109-L112 PolarHBondContact O-N 3.15Å; S109-L112 VanDerWaalsContact O-N 3.1Å; S109-L112 PolarHBondContact OG-N 2.8Å; M110-L112 VanDerWaalsContact C-N 3.34Å; L112-R115 PolarHBondContact O-N 3.37Å; L112-K116 HydrophobicContact CD1-CD 4.47Å; L112-K116 HydrophobicContact CD1-CG 4.46Å; L112-K116 HydrophobicContact CG-CD 4.33Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.37Å
113	L	90.4	Very high	83.9	Confident	18 Å²	18	44.3 Å²	44.3	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-48.6	178.2	-175.2	58.5	0	0	0	111.2	A70 I80 S109 M110 R115 K116 T117	A70-L113 HydrophobicContact CB-CD2 4.04Å; I80-L113 HydrophobicContact CG2-CD2 3.94Å; I80-L113 HydrophobicContact CG2-CG 4.09Å; S109-L113 PolarHBondContact O-N 3.35Å; M110-L113 HydrophobicContact CE-CD2 3.84Å; M110-L113 PolarHBondContact O-N 3.08Å; M110-L113 HydrophobicContact SD-CD2 4.38Å; L113-R115 PolarHBondContact O-N 2.84Å; L113-K116 PolarHBondContact O-N 2.89Å; L113-T117 WeakPolarHBondContact O-CB 3.25Å; L113-T117 PolarHBondContact O-N 3.25Å; L113-T117 PolarHBondContact O-OG1 3.45Å
114	L	93.5	Very high	85.8	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-45.7	176.2	-71.2	168.9	0	0	0	112	V68 I80 K96 L99 M110 N111 K116 T117 F118 I285	V68-L114 HydrophobicContact CB-CD2 4.31Å; V68-L114 HydrophobicContact CG1-CD2 4.13Å; V68-L114 HydrophobicContact CG2-CD1 4.39Å; I80-L114 HydrophobicContact CD1-CD2 4.15Å; I80-L114 HydrophobicContact CG2-CD2 3.89Å; I80-L114 HydrophobicContact CG2-CG 4.49Å; K96-L114 HydrophobicContact CD-CD1 3.56Å; L99-L114 HydrophobicContact CD1-CD1 3.86Å; M110-L114 WeakPolarHBondContact O-CG 3.43Å; M110-L114 PolarHBondContact O-N 3.33Å; N111-L114 PolarHBondContact O-N 3.43Å; L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 PolarHBondContact O-N 3.19Å; L114-T117 PolarHBondContact O-N 3.22Å; L114-F118 HydrophobicContact CD2-CD2 4.36Å; L114-F118 HydrophobicContact CD2-CE2 3.78Å; L114-F118 VanDerWaalsContact O-CD2 3.3Å; L114-F118 WeakPolarHBondContact O-CD2 3.33Å; L114-F118 PolarHBondContact O-N 2.93Å; L114-I285 HydrophobicContact CB-CD1 4.5Å
115	R	93.1	Very high	87.9	Confident	26 Å²	26	31.8 Å²	31.8	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-42.6	178.3	-70.8	164	-177.3	-176.5	11.5	111.9	N111 L112 L113 D119 L120 N148 N277 E287	N111-R115 WeakPolarHBondContact O-CB 3.41Å; N111-R115 WeakPolarHBondContact O-CD 3.32Å; N111-R115 WeakPolarHBondContact O-CG 3.45Å; N111-R115 PolarHBondContact O-N 3.38Å; L112-R115 PolarHBondContact O-N 3.37Å; L113-R115 PolarHBondContact O-N 2.84Å; R115-D119 WeakPolarHBondContact O-CA 3.39Å; R115-D119 PolarHBondContact O-N 3.23Å; R115-L120 HydrophobicContact CG-CB 4.42Å; R115-L120 PolarHBondContact O-N 3.33Å; R115-N148 WeakPolarHBondContact CD-ND2 3.48Å; R115-N148 WeakPolarHBondContact CD-OD1 3.26Å; R115-N148 WeakPolarHBondContact CG-ND2 3.35Å; R115-N148 PolarHBondContact NE-ND2 2.87Å; R115-N148 PolarHBondContact NE-OD1 3.35Å; R115-N148 PolarHBondContact NH1-OD1 2.98Å; R115-N277 PolarHBondContact NE-OD1 3.28Å; R115-E287 IonicContact NH2-OE1 2.94Å; R115-E287 PolarHBondContact NH2-OE1 3.34Å
116	K	90.5	Very high	89.9	Confident	112 Å²	112	28.1 Å²	28.1	49%	0.487	16%	0.159	S	C	.	.	H	α-helix	trans	-70.3	-43.6	176.4	-73	-176.2	177.2	-177.6	0	112.2	L112 L113 L114 F118	L112-K116 HydrophobicContact CD1-CD 4.47Å; L112-K116 HydrophobicContact CD1-CG 4.46Å; L112-K116 HydrophobicContact CG-CD 4.33Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.37Å; L113-K116 PolarHBondContact O-N 2.89Å; L114-K116 VanDerWaalsContact C-N 3.32Å; L114-K116 PolarHBondContact O-N 3.19Å; K116-F118 VanDerWaalsContact C-N 3.28Å; K116-F118 PolarHBondContact O-N 3.01Å
117	T	92.6	Very high	91.5	Very high	46 Å²	46	25.5 Å²	25.5	28%	0.282	13%	0.133	S	C	.	.	H	α-helix	trans	-61.4	-36.5	-178.8	-63.2	0	0	0	0	112.3	I80 K85 L113 L114	I80-T117 HydrophobicContact CD1-CG2 3.91Å; I80-T117 HydrophobicContact CG1-CG2 4.24Å; K85-T117 HydrophobicContact CD-CG2 4.25Å; K85-T117 HydrophobicContact CG-CG2 4.29Å; L113-T117 WeakPolarHBondContact O-CB 3.25Å; L113-T117 PolarHBondContact O-N 3.25Å; L113-T117 PolarHBondContact O-OG1 3.45Å; L114-T117 PolarHBondContact O-N 3.22Å
118	F	95	Very high	92.8	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.039	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	9.6	-175.8	-58.3	-64.5	0	0	0	114.5	I80 K85 M88 L114 K116 L120 V283 I285	I80-F118 HydrophobicContact CD1-CE2 3.65Å; I80-F118 HydrophobicContact CD1-CZ 3.47Å; I80-F118 VanDerWaalsContact CD1-CZ 3.47Å; K85-F118 HydrophobicContact CG-CE1 4.09Å; K85-F118 HydrophobicContact CG-CZ 4.39Å; M88-F118 HydrophobicContact CB-CD1 4.3Å; M88-F118 HydrophobicContact CB-CE1 3.44Å; M88-F118 VanDerWaalsContact CB-CE1 3.44Å; M88-F118 HydrophobicContact CB-CE2 4.14Å; M88-F118 HydrophobicContact CB-CZ 3.34Å; M88-F118 HydrophobicContact CG-CE1 4.19Å; M88-F118 HydrophobicContact CG-CE2 3.97Å; M88-F118 HydrophobicContact CG-CZ 3.58Å; L114-F118 HydrophobicContact CD2-CD2 4.36Å; L114-F118 HydrophobicContact CD2-CE2 3.78Å; L114-F118 VanDerWaalsContact O-CD2 3.3Å; L114-F118 WeakPolarHBondContact O-CD2 3.33Å; L114-F118 PolarHBondContact O-N 2.93Å; K116-F118 VanDerWaalsContact C-N 3.28Å; K116-F118 PolarHBondContact O-N 3.01Å; F118-L120 VanDerWaalsContact C-N 3.28Å; F118-L120 HydrophobicContact CB-CD1 4.3Å; F118-L120 HydrophobicContact CB-CD2 3.83Å; F118-L120 HydrophobicContact CB-CG 3.81Å; F118-L120 PolarHBondContact O-N 3.01Å; F118-V283 HydrophobicContact CB-CG1 3.99Å; F118-V283 HydrophobicContact CD1-CG1 4.28Å; F118-V283 HydrophobicContact CG-CG1 4.18Å; F118-I285 HydrophobicContact CD2-CD1 3.91Å; F118-I285 HydrophobicContact CE2-CD1 4.2Å
119	D	94.8	Very high	93.9	Very high	52 Å²	52	25.2 Å²	25.2	28%	0.278	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	50.1	-175.3	-174.5	38	0	0	0	112.6	R115 Y121 R178 G279	R115-D119 WeakPolarHBondContact O-CA 3.39Å; R115-D119 PolarHBondContact O-N 3.23Å; D119-Y121 PolarHBondContact O-N 3.27Å; D119-R178 IonicContact OD1-CZ 2.9Å; D119-R178 IonicContact OD1-NH1 3.19Å; D119-R178 PolarHBondContact OD1-NH1 3.04Å; D119-R178 VanDerWaalsContact OD1-NH1 3.08Å; D119-R178 IonicContact OD1-NH2 3.74Å; D119-R178 PolarHBondContact OD1-NH2 3.22Å; D119-R178 IonicContact OD2-NH1 3.34Å; D119-R178 PolarHBondContact OD2-NH1 2.85Å; D119-G279 WeakPolarHBondContact O-CA 3.37Å
120	L	96.8	Very high	94.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.123	C	C	.	.			trans	-80	71.9	-179	-53	175	0	0	0	110.6	R115 F118 A122 N148 N277 I278 V283 I285	R115-L120 HydrophobicContact CG-CB 4.42Å; R115-L120 PolarHBondContact O-N 3.33Å; F118-L120 VanDerWaalsContact C-N 3.28Å; F118-L120 HydrophobicContact CB-CD1 4.3Å; F118-L120 HydrophobicContact CB-CD2 3.83Å; F118-L120 HydrophobicContact CB-CG 3.81Å; F118-L120 PolarHBondContact O-N 3.01Å; L120-A122 PolarHBondContact O-N 3.39Å; L120-N148 WeakPolarHBondContact O-CB 3.02Å; L120-N148 PolarHBondContact O-ND2 3.45Å; L120-N277 HydrophobicContact CB-CB 3.84Å; L120-N277 HydrophobicContact CD1-CB 3.89Å; L120-N277 HydrophobicContact CG-CB 4.38Å; L120-I278 CarbonylContact C-O 3.55Å; L120-V283 HydrophobicContact CD2-CB 4.33Å; L120-V283 HydrophobicContact CD2-CG1 4.06Å; L120-I285 HydrophobicContact CD1-CB 3.97Å; L120-I285 HydrophobicContact CD1-CD1 3.67Å; L120-I285 HydrophobicContact CD1-CG1 3.76Å
121	Y	97.1	Very high	94.6	Very high	29 Å²	29	29.7 Å²	29.7	11%	0.114	15%	0.15	C	C	.	.			trans	-72.9	-25.5	-166.7	76.2	-88.8	0	0	0	116	D119 N148 R178 I179 F182 I278 A280	D119-Y121 PolarHBondContact O-N 3.27Å; Y121-N148 VanDerWaalsContact O-CB 3.3Å; Y121-N148 WeakPolarHBondContact O-CB 3.31Å; Y121-N148 PolarHBondContact O-N 3.4Å; Y121-R178 VanDerWaalsContact CB-NH2 3.26Å; Y121-R178 HydrophobicContact CD2-CG 3.75Å; Y121-R178 HydrophobicContact CE2-CB 4.24Å; Y121-R178 HydrophobicContact CE2-CG 3.9Å; Y121-R178 HydrophobicContact CG-CG 4.43Å; Y121-I179 HydrophobicContact CD2-CD1 4.31Å; Y121-I179 HydrophobicContact CE2-CD1 4.42Å; Y121-F182 HydrophobicContact CE2-CB 4.18Å; Y121-F182 HydrophobicContact CE2-CG 4.49Å; Y121-F182 WeakPolarHBondContact OH-CD2 3.49Å; Y121-I278 PolarHBondContact N-O 3.13Å; Y121-I278 VanDerWaalsContact N-O 3.07Å; Y121-A280 HydrophobicContact CD1-CB 4.37Å; Y121-A280 HydrophobicContact CE1-CB 4.19Å
122	A	98.2	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119	179.9	0	0	0	0	0	110	L120 I179 F182 N277 I278	L120-A122 PolarHBondContact O-N 3.39Å; A122-I179 HydrophobicContact CB-CD1 3.55Å; A122-F182 HydrophobicContact CB-CD1 3.83Å; A122-F182 HydrophobicContact CB-CD2 4.17Å; A122-F182 HydrophobicContact CB-CE1 3.93Å; A122-F182 HydrophobicContact CB-CE2 4.23Å; A122-F182 HydrophobicContact CB-CG 3.97Å; A122-F182 HydrophobicContact CB-CZ 4.12Å; A122-N277 CarbonylContact O-C 3.53Å; A122-N277 WeakPolarHBondContact O-CA 3.25Å; A122-I278 HydrophobicContact CB-CB 4.43Å; A122-I278 PolarHBondContact N-O 3.42Å; A122-I278 VanDerWaalsContact N-O 3.11Å; A122-I278 PolarHBondContact O-N 2.98Å
123	N	98.3	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125	166.5	177.3	-97.1	0	0	0	109.2	I145 R146 N148 S275 G276 N277	N123-I145 CarbonylContact O-C 3.54Å; N123-I145 WeakPolarHBondContact O-CA 3.48Å; N123-R146 HydrophobicContact CB-CB 4.14Å; N123-R146 PolarHBondContact N-O 3.16Å; N123-R146 PolarHBondContact O-N 3.16Å; N123-N148 HydrophobicContact CB-CB 4.45Å; N123-S275 PolarHBondContact ND2-OG 3.49Å; N123-G276 CarbonylContact C-O 3.51Å; N123-G276 WeakPolarHBondContact CA-O 3.41Å; N123-N277 PolarHBondContact ND2-OD1 3.01Å
124	V	98.5	Very high	94.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121	-179.9	-172.3	0	0	0	0	108.6	V143 F182 Y186 S275 G276 I278 M313	V124-V143 HydrophobicContact CG1-CG1 3.79Å; V124-F182 HydrophobicContact CG2-CE1 3.39Å; V124-F182 HydrophobicContact CG2-CZ 3.55Å; V124-Y186 HydrophobicContact CG1-CD2 4.25Å; V124-Y186 HydrophobicContact CG1-CE2 3.71Å; V124-S275 WeakPolarHBondContact O-CA 3.47Å; V124-G276 PolarHBondContact N-O 3.18Å; V124-G276 PolarHBondContact O-N 3.11Å; V124-I278 HydrophobicContact CG2-CG1 4.36Å; V124-M313 HydrophobicContact CB-CE 4.45Å; V124-M313 HydrophobicContact CG1-CE 4.35Å
125	R	97.9	Very high	94.6	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	92.2	-179.7	-157.9	-176.2	-73	-171.5	-13.6	110.8	T144 S260 D261 T273 Q274 V289	R125-T144 WeakPolarHBondContact CB-OG1 3.39Å; R125-T144 PolarHBondContact N-O 2.85Å; R125-T144 PolarHBondContact O-N 2.99Å; R125-T144 PolarHBondContact O-OG1 3.17Å; R125-S260 PolarHBondContact NH1-OG 3.44Å; R125-D261 IonicContact CZ-OD1 3.41Å; R125-D261 IonicContact NH1-OD1 2.63Å; R125-D261 PolarHBondContact NH1-OD1 2.86Å; R125-T273 HydrophobicContact CG-CG2 3.7Å; R125-Q274 WeakPolarHBondContact CG-O 3.47Å; R125-V289 VanDerWaalsContact CZ-CG1 3.48Å; R125-V289 VanDerWaalsContact NH2-CG1 3.31Å
126	P	97.4	Very high	94.6	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132.7	168.6	-15.8	30.3	0	0	0	110.8	I142 V143 Q274 M313	P126-I142 CarbonylContact C-O 3.48Å; P126-V143 HydrophobicContact CB-CG2 4.16Å; P126-V143 HydrophobicContact CG-CG1 4.41Å; P126-Q274 HydrophobicContact CG-CG 4.46Å; P126-M313 HydrophobicContact CG-CE 3.99Å; P126-M313 HydrophobicContact CG-SD 4.24Å
127	C	96.8	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105.6	172.2	-65.1	0	0	0	0	108.1	N141 I142 C263 I267	C127-N141 WeakPolarHBondContact O-CA 3.42Å; C127-I142 PolarHBondContact N-O 2.98Å; C127-I142 PolarHBondContact O-N 3.4Å; C127-C263 HydrophobicContact CB-CB 3.75Å; C127-C263 WeakPolarHBondContact SG-CB 3.49Å; C127-I267 HydrophobicContact CB-CD1 4.15Å; C127-I267 HydrophobicContact CB-CG1 4.44Å; C127-I267 HydrophobicContact CB-CG2 4.23Å
128	V	96	Very high	94.8	Very high	55 Å²	55	45.8 Å²	45.8	33%	0.333	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.5	-175.8	-172.3	0	0	0	0	109.2	I130 V140	V128-I130 PolarHBondContact O-N 3.43Å; V128-V140 CarbonylContact C-O 3.53Å; V128-V140 VanDerWaalsContact CA-O 3.24Å; V128-V140 WeakPolarHBondContact CA-O 3.31Å
129	S	95.9	Very high	94.5	Very high	30 Å²	30	51.7 Å²	51.7	21%	0.21	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-59	130.4	172.7	-73.6	0	0	0	0	110.1	D139 V140	S129-D139 PolarHBondContact OG-N 3.31Å; S129-V140 PolarHBondContact N-O 2.8Å; S129-V140 WeakPolarHBondContact OG-CB 3.45Å; S129-V140 PolarHBondContact OG-N 2.59Å
130	I	94.6	Very high	94.6	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.067	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-96.6	121.4	179.9	-58.1	176.4	0	0	0	108.7	V128 G132 Y133 V272 F332 I335	V128-I130 PolarHBondContact O-N 3.43Å; I130-G132 PolarHBondContact O-N 3.28Å; I130-Y133 PolarHBondContact O-N 3.02Å; I130-Y133 VanDerWaalsContact O-N 3.11Å; I130-V272 HydrophobicContact CD1-CB 3.77Å; I130-V272 HydrophobicContact CD1-CG1 4.18Å; I130-V272 HydrophobicContact CD1-CG2 4.24Å; I130-F332 HydrophobicContact CD1-CE1 4.18Å; I130-F332 HydrophobicContact CG1-CE1 4.06Å; I130-F332 HydrophobicContact CG2-CD1 3.85Å; I130-F332 HydrophobicContact CG2-CE1 4.22Å; I130-I335 HydrophobicContact CD1-CD1 4.39Å; I130-I335 HydrophobicContact CG2-CB 4.18Å; I130-I335 HydrophobicContact CG2-CD1 4.01Å; I130-I335 HydrophobicContact CG2-CG2 3.71Å
131	E	91.7	Very high	94.7	Very high	127 Å²	127	52.5 Å²	52.5	59%	0.593	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	133.2	177.4	-165.5	-173.9	177.6	0	0	110.9	Y133 K336	E131-Y133 VanDerWaalsContact C-N 3.3Å; E131-Y133 PolarHBondContact O-N 3.15Å; E131-K336 VanDerWaalsContact CD-CE 3.41Å; E131-K336 HydrophobicContact CG-CD 4.28Å; E131-K336 WeakPolarHBondContact OE1-CE 3.33Å; E131-K336 IonicContact OE1-NZ 2.79Å; E131-K336 PolarHBondContact OE1-NZ 2.8Å; E131-K336 WeakPolarHBondContact OE2-CD 3.37Å; E131-K336 WeakPolarHBondContact OE2-CE 3.28Å; E131-K336 IonicContact OE2-NZ 2.82Å; E131-K336 PolarHBondContact OE2-NZ 3.16Å
132	G	87.6	Confident	94.7	Very high	57 Å²	57	51.1 Å²	51.1	59%	0.588	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-11.3	-177	0	0	0	0	0	115.1	I130	I130-G132 PolarHBondContact O-N 3.28Å
133	Y	91	Very high	94.7	Very high	49 Å²	49	51.1 Å²	51.1	19%	0.192	28%	0.281	C	S	.	.			trans	-102.4	100.9	171.4	-173.1	-137.7	0	0	0	110.7	I130 E131 T135 G268 V272 D344 L345	I130-Y133 PolarHBondContact O-N 3.02Å; I130-Y133 VanDerWaalsContact O-N 3.11Å; E131-Y133 VanDerWaalsContact C-N 3.3Å; E131-Y133 PolarHBondContact O-N 3.15Å; Y133-T135 HydrophobicContact CD1-CG2 4.47Å; Y133-T135 PolarHBondContact O-N 2.96Å; Y133-G268 PolarHBondContact OH-O 3.29Å; Y133-V272 HydrophobicContact CE1-CG1 4.42Å; Y133-V272 HydrophobicContact CE1-CG2 4.37Å; Y133-D344 PolarHBondContact OH-O 3.43Å; Y133-L345 HydrophobicContact CD1-CD2 4.23Å; Y133-L345 HydrophobicContact CD2-CD2 4.12Å; Y133-L345 HydrophobicContact CE1-CD2 3.94Å; Y133-L345 HydrophobicContact CE2-CD2 3.89Å; Y133-L345 HydrophobicContact CG-CD2 4.32Å
134	K	90.1	Very high	94.7	Very high	198 Å²	198	51.1 Å²	51.1	86%	0.861	28%	0.281	S	S	*	.			trans	-72.4	125.3	-173.4	-173.3	177.4	-179	179.3	0	111.2
135	T	93	Very high	94.8	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.129	28%	0.28	C	S	.	.			trans	-126.2	171.3	170	92.5	0	0	0	0	109.9	Y133 Y137 L266	Y133-T135 HydrophobicContact CD1-CG2 4.47Å; Y133-T135 PolarHBondContact O-N 2.96Å; T135-Y137 PolarHBondContact O-N 3.49Å; T135-Y137 PolarHBondContact OG1-N 3.4Å; T135-Y137 PolarHBondContact OG1-O 2.9Å; T135-L266 PolarHBondContact OG1-O 3.45Å; T135-L266 VanDerWaalsContact OG1-O 3.07Å
136	P	93.5	Very high	94.8	Very high	124 Å²	124	50.4 Å²	50.4	81%	0.805	28%	0.278	S	S	*	.	S	Bend	trans	-60.8	-18.7	170.3	-23.7	35.5	0	0	0	114.2
137	Y	95.2	Very high	94.8	Very high	60 Å²	60	50.2 Å²	50.2	24%	0.235	28%	0.277	C	S	.	.			trans	-112.5	143.5	-179.8	-54.7	-87.2	0	0	0	110.8	T135 V240 P243 L266	T135-Y137 PolarHBondContact O-N 3.49Å; T135-Y137 PolarHBondContact OG1-N 3.4Å; T135-Y137 PolarHBondContact OG1-O 2.9Å; Y137-V240 WeakPolarHBondContact CE1-O 3.44Å; Y137-V240 PolarHBondContact OH-O 3.47Å; Y137-V240 VanDerWaalsContact OH-O 3.07Å; Y137-P243 HydrophobicContact CD1-CG 3.74Å; Y137-P243 HydrophobicContact CE1-CG 4.4Å; Y137-P243 HydrophobicContact CG-CG 4.32Å; Y137-L266 HydrophobicContact CD1-CD2 4.43Å; Y137-L266 HydrophobicContact CD2-CB 4.12Å; Y137-L266 HydrophobicContact CD2-CD2 3.78Å; Y137-L266 HydrophobicContact CE1-CD2 4.13Å; Y137-L266 HydrophobicContact CE2-CD2 3.43Å; Y137-L266 VanDerWaalsContact CE2-CD2 3.43Å; Y137-L266 HydrophobicContact CG-CB 4.48Å; Y137-L266 HydrophobicContact CG-CD2 4.27Å
138	T	90.9	Very high	94.7	Very high	108 Å²	108	50.3 Å²	50.3	66%	0.663	28%	0.277	S	S	*	.			trans	-117	155.1	172.2	58.8	0	0	0	0	109.3	V140	T138-V140 PolarHBondContact O-N 3.22Å; T138-V140 VanDerWaalsContact O-N 3.12Å
139	D	90.1	Very high	94.6	Very high	134 Å²	134	49.1 Å²	49.1	72%	0.717	27%	0.27	S	S	*	.	S	Bend	trans	56.4	29.9	172.4	-49.2	-47.4	0	0	0	115.3	S129 N141	S129-D139 PolarHBondContact OG-N 3.31Å; D139-N141 PolarHBondContact O-N 3.26Å
140	V	97	Very high	94.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	27%	0.265	C	S	.	.			trans	-67.5	130.8	171.7	-176.2	0	0	0	0	108.5	V128 S129 T138 I142 P243 L266 I267	V128-V140 CarbonylContact C-O 3.53Å; V128-V140 VanDerWaalsContact CA-O 3.24Å; V128-V140 WeakPolarHBondContact CA-O 3.31Å; S129-V140 PolarHBondContact N-O 2.8Å; S129-V140 WeakPolarHBondContact OG-CB 3.45Å; S129-V140 PolarHBondContact OG-N 2.59Å; T138-V140 PolarHBondContact O-N 3.22Å; T138-V140 VanDerWaalsContact O-N 3.12Å; V140-I142 HydrophobicContact CG1-CD1 4.16Å; V140-I142 HydrophobicContact CG1-CG1 4.21Å; V140-P243 HydrophobicContact CG1-CB 4.4Å; V140-P243 HydrophobicContact CG2-CB 4.3Å; V140-P243 HydrophobicContact CG2-CG 3.8Å; V140-L266 HydrophobicContact CG1-CB 4.27Å; V140-L266 HydrophobicContact CG1-CD1 4.34Å; V140-L266 HydrophobicContact CG2-CB 4.15Å; V140-I267 HydrophobicContact CB-CG2 3.89Å; V140-I267 HydrophobicContact CG1-CG2 3.85Å; V140-I267 HydrophobicContact CG2-CG2 4.46Å
141	N	97.3	Very high	94.5	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	70	175.9	-175.2	4.6	0	0	0	111.3	C127 D139 R192	C127-N141 WeakPolarHBondContact O-CA 3.42Å; D139-N141 PolarHBondContact O-N 3.26Å; N141-R192 PolarHBondContact O-NH1 2.95Å; N141-R192 PolarHBondContact OD1-NH1 3.12Å; N141-R192 PolarHBondContact OD1-NH2 3.36Å
142	I	98.2	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.1	-174.6	-57	172.3	0	0	0	109	P126 C127 V140 M239 P243 F246 D247 L249 L266	P126-I142 CarbonylContact C-O 3.48Å; C127-I142 PolarHBondContact N-O 2.98Å; C127-I142 PolarHBondContact O-N 3.4Å; V140-I142 HydrophobicContact CG1-CD1 4.16Å; V140-I142 HydrophobicContact CG1-CG1 4.21Å; I142-M239 HydrophobicContact CD1-CE 4.19Å; I142-M239 HydrophobicContact CD1-CG 4.26Å; I142-M239 HydrophobicContact CD1-SD 4.28Å; I142-P243 HydrophobicContact CD1-CB 3.82Å; I142-F246 HydrophobicContact CD1-CB 3.97Å; I142-F246 HydrophobicContact CG1-CB 4.01Å; I142-F246 HydrophobicContact CG2-CB 4.38Å; I142-D247 WeakPolarHBondContact CA-O 3.37Å; I142-L249 HydrophobicContact CG2-CD1 4.01Å; I142-L249 HydrophobicContact CG2-CG 4.16Å; I142-L266 HydrophobicContact CD1-CD1 4.31Å
143	V	98.5	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	169	-174.4	0	0	0	0	109.9	V124 P126 I145 Y186 D247 V248 L249	V124-V143 HydrophobicContact CG1-CG1 3.79Å; P126-V143 HydrophobicContact CB-CG2 4.16Å; P126-V143 HydrophobicContact CG-CG1 4.41Å; V143-I145 HydrophobicContact CG1-CG1 4.26Å; V143-Y186 HydrophobicContact CB-CE1 4.08Å; V143-Y186 HydrophobicContact CG1-CD1 4.46Å; V143-Y186 HydrophobicContact CG1-CE1 3.66Å; V143-Y186 HydrophobicContact CG2-CE1 4.01Å; V143-D247 PolarHBondContact N-O 3.34Å; V143-V248 HydrophobicContact CB-CG2 4.45Å; V143-V248 WeakPolarHBondContact O-CA 3.39Å; V143-L249 PolarHBondContact O-N 3.5Å
144	T	98.6	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.8	170.5	63.6	0	0	0	0	110.5	R125 L249 M251 S260	R125-T144 WeakPolarHBondContact CB-OG1 3.39Å; R125-T144 PolarHBondContact N-O 2.85Å; R125-T144 PolarHBondContact O-N 2.99Å; R125-T144 PolarHBondContact O-OG1 3.17Å; T144-L249 HydrophobicContact CG2-CD1 4.37Å; T144-M251 HydrophobicContact CG2-CE 4.11Å; T144-S260 WeakPolarHBondContact OG1-CB 3.38Å
145	I	98.8	Very high	94.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.8	174.7	-61.6	-179.5	0	0	0	107.8	N123 V143 I179 F182 A183 Y186 V248 L249 V250 M251	N123-I145 CarbonylContact O-C 3.54Å; N123-I145 WeakPolarHBondContact O-CA 3.48Å; V143-I145 HydrophobicContact CG1-CG1 4.26Å; I145-I179 HydrophobicContact CG2-CD1 3.62Å; I145-I179 HydrophobicContact CG2-CG1 4.08Å; I145-F182 HydrophobicContact CD1-CD1 4.28Å; I145-F182 HydrophobicContact CD1-CE1 4.21Å; I145-F182 HydrophobicContact CG2-CD1 3.79Å; I145-F182 HydrophobicContact CG2-CE1 4.15Å; I145-A183 HydrophobicContact CB-CB 4.48Å; I145-A183 HydrophobicContact CD1-CB 3.83Å; I145-A183 HydrophobicContact CG2-CB 4.21Å; I145-Y186 HydrophobicContact CD1-CD1 3.84Å; I145-Y186 HydrophobicContact CD1-CG 3.85Å; I145-V248 HydrophobicContact CD1-CG1 3.61Å; I145-V248 HydrophobicContact CG1-CG1 4.17Å; I145-L249 PolarHBondContact N-O 3.1Å; I145-V250 HydrophobicContact CG2-CG2 4.39Å; I145-V250 WeakPolarHBondContact O-CA 3.26Å; I145-M251 PolarHBondContact O-N 3.5Å
146	R	98.4	Very high	94.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.7	-174.1	166.9	-173.9	178.8	172.7	8.3	110	N123 N148 N253 D257	N123-R146 HydrophobicContact CB-CB 4.14Å; N123-R146 PolarHBondContact N-O 3.16Å; N123-R146 PolarHBondContact O-N 3.16Å; R146-N148 PolarHBondContact O-N 2.9Å; R146-N253 PolarHBondContact NE-O 3.35Å; R146-N253 PolarHBondContact NE-OD1 3.47Å; R146-N253 PolarHBondContact NH2-OD1 2.82Å; R146-D257 IonicContact CZ-OD1 2.6Å; R146-D257 IonicContact NH1-OD1 2.94Å; R146-D257 PolarHBondContact NH1-OD1 3.02Å; R146-D257 IonicContact NH2-OD1 3.83Å; R146-D257 PolarHBondContact NH2-OD1 2.87Å
147	E	97.9	Very high	94.5	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.028	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.9	163.5	-157.9	-62.2	124.6	0	0	108.2	T149 E150 A175 R178 I179 M251 N253	E147-T149 PolarHBondContact OE1-N 2.93Å; E147-T149 VanDerWaalsContact OE1-N 3.1Å; E147-T149 PolarHBondContact OE1-OG1 3.44Å; E147-T149 PolarHBondContact OE2-N 3.4Å; E147-T149 VanDerWaalsContact OE2-N 3.1Å; E147-E150 PolarHBondContact OE2-N 3.42Å; E147-A175 HydrophobicContact CG-CB 4.28Å; E147-R178 IonicContact OE1-NH2 2.61Å; E147-I179 HydrophobicContact CB-CB 4.16Å; E147-I179 HydrophobicContact CB-CG1 3.95Å; E147-I179 HydrophobicContact CB-CG2 4.05Å; E147-I179 HydrophobicContact CG-CB 4.02Å; E147-I179 HydrophobicContact CG-CG1 4.33Å; E147-I179 HydrophobicContact CG-CG2 3.96Å; E147-M251 PolarHBondContact N-O 2.89Å; E147-N253 WeakPolarHBondContact O-CA 3.36Å; E147-N253 WeakPolarHBondContact O-CB 3.48Å; E147-N253 PolarHBondContact O-N 2.85Å
148	N	95.4	Very high	94.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.219	C	C	.	.			trans	-111.8	-0.6	-160.8	-156.8	23.6	0	0	0	113.7	R115 L120 Y121 N123 R146 N253 N277	R115-N148 WeakPolarHBondContact CD-ND2 3.48Å; R115-N148 WeakPolarHBondContact CD-OD1 3.26Å; R115-N148 WeakPolarHBondContact CG-ND2 3.35Å; R115-N148 PolarHBondContact NE-ND2 2.87Å; R115-N148 PolarHBondContact NE-OD1 3.35Å; R115-N148 PolarHBondContact NH1-OD1 2.98Å; L120-N148 WeakPolarHBondContact O-CB 3.02Å; L120-N148 PolarHBondContact O-ND2 3.45Å; Y121-N148 VanDerWaalsContact O-CB 3.3Å; Y121-N148 WeakPolarHBondContact O-CB 3.31Å; Y121-N148 PolarHBondContact O-N 3.4Å; N123-N148 HydrophobicContact CB-CB 4.45Å; R146-N148 PolarHBondContact O-N 2.9Å; N148-N253 WeakPolarHBondContact CA-ND2 3.41Å; N148-N253 PolarHBondContact O-ND2 3.13Å; N148-N253 VanDerWaalsContact O-ND2 3.13Å; N148-N277 PolarHBondContact ND2-OD1 2.8Å
149	T	92.8	Very high	94.8	Very high	30 Å²	30	39.6 Å²	39.6	18%	0.184	22%	0.215	C	C	.	.	S	Bend	trans	-111.8	-27.6	-172.1	59	0	0	0	0	114.7	E147 R178	E147-T149 PolarHBondContact OE1-N 2.93Å; E147-T149 VanDerWaalsContact OE1-N 3.1Å; E147-T149 PolarHBondContact OE1-OG1 3.44Å; E147-T149 PolarHBondContact OE2-N 3.4Å; E147-T149 VanDerWaalsContact OE2-N 3.1Å; T149-R178 PolarHBondContact OG1-NH2 2.87Å
150	E	95.1	Very high	95	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	20%	0.203	C	C	.	.	S	Bend	trans	-115.5	-158.4	-175.2	-59.9	-171.9	172.3	0	0	111.4	E147 I171 T172 A175 N253	E147-E150 PolarHBondContact OE2-N 3.42Å; E150-I171 WeakPolarHBondContact OE2-CA 3.37Å; E150-T172 VanDerWaalsContact CD-OG1 3.28Å; E150-T172 WeakPolarHBondContact OE1-CB 3.23Å; E150-T172 WeakPolarHBondContact OE1-CG2 3.26Å; E150-T172 PolarHBondContact OE1-OG1 2.92Å; E150-T172 PolarHBondContact OE2-N 3.27Å; E150-T172 PolarHBondContact OE2-OG1 2.92Å; E150-A175 HydrophobicContact CG-CB 3.93Å; E150-A175 VanDerWaalsContact OE1-CB 3.28Å; E150-A175 WeakPolarHBondContact OE1-CB 3.42Å; E150-A175 VanDerWaalsContact OE2-CB 3.31Å; E150-A175 WeakPolarHBondContact OE2-CB 3.35Å; E150-N253 WeakPolarHBondContact O-CB 3.33Å; E150-N253 PolarHBondContact O-ND2 2.89Å
151	G	94.4	Very high	95	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	73.6	-151.8	-172.6	0	0	0	0	0	112.4	Y153 S154 L170	G151-Y153 PolarHBondContact O-N 2.85Å; G151-S154 VanDerWaalsContact O-CB 3.25Å; G151-S154 WeakPolarHBondContact O-CB 3.41Å; G151-S154 PolarHBondContact O-N 2.97Å; G151-S154 PolarHBondContact O-OG 3.31Å; G151-L170 VanDerWaalsContact CA-O 3.27Å; G151-L170 WeakPolarHBondContact CA-O 3.34Å; G151-L170 PolarHBondContact N-O 3.11Å
152	E	93.9	Very high	94.9	Very high	49 Å²	49	46.4 Å²	46.4	23%	0.229	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.7	-25.7	178.5	-63.2	83	173.6	0	0	111.8	S154 G155 K169 L254	E152-S154 PolarHBondContact O-N 2.91Å; E152-G155 PolarHBondContact O-N 2.69Å; E152-K169 WeakPolarHBondContact OE1-CD 3.26Å; E152-K169 WeakPolarHBondContact OE1-CE 3.5Å; E152-L254 HydrophobicContact CB-CB 4.49Å; E152-L254 HydrophobicContact CB-CD2 4.41Å; E152-L254 HydrophobicContact CG-CB 4.44Å; E152-L254 HydrophobicContact CG-CD2 3.89Å; E152-L254 VanDerWaalsContact OE2-CB 3.27Å; E152-L254 WeakPolarHBondContact OE2-CB 3.25Å
153	Y	90.7	Very high	94.9	Very high	65 Å²	65	49.9 Å²	49.9	26%	0.255	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-75.3	-4.5	176.4	-75	-100.2	0	0	0	114	G151 G155 N253 L254 D257	G151-Y153 PolarHBondContact O-N 2.85Å; Y153-G155 PolarHBondContact O-N 2.96Å; Y153-N253 VanDerWaalsContact CB-ND2 3.32Å; Y153-N253 WeakPolarHBondContact CB-ND2 3.21Å; Y153-N253 HydrophobicContact CD2-CB 3.92Å; Y153-N253 VanDerWaalsContact CD2-CG 3.46Å; Y153-N253 VanDerWaalsContact CD2-OD1 3.26Å; Y153-N253 WeakPolarHBondContact CD2-OD1 3.27Å; Y153-N253 HydrophobicContact CG-CB 4.49Å; Y153-L254 HydrophobicContact CE2-CB 4.29Å; Y153-L254 HydrophobicContact CE2-CD1 4.12Å; Y153-D257 HydrophobicContact CE2-CB 4.45Å; Y153-D257 PolarHBondContact OH-OD1 3.12Å; Y153-D257 PolarHBondContact OH-OD2 2.85Å
154	S	89.7	Confident	94.8	Very high	19 Å²	19	53 Å²	53	13%	0.133	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.4	167.4	62.9	0	0	0	0	111.4	G151 E152 I156 I168	G151-S154 VanDerWaalsContact O-CB 3.25Å; G151-S154 WeakPolarHBondContact O-CB 3.41Å; G151-S154 PolarHBondContact O-N 2.97Å; G151-S154 PolarHBondContact O-OG 3.31Å; E152-S154 PolarHBondContact O-N 2.91Å; S154-I156 VanDerWaalsContact C-N 3.31Å; S154-I168 PolarHBondContact OG-O 2.87Å
155	G	87.5	Confident	94.8	Very high	51 Å²	51	57.4 Å²	57.4	53%	0.526	34%	0.335	S	S	.	.			trans	73	24.2	177.5	0	0	0	0	0	112.9	E152 Y153 E157	E152-G155 PolarHBondContact O-N 2.69Å; Y153-G155 PolarHBondContact O-N 2.96Å; G155-E157 PolarHBondContact O-N 3.42Å
156	I	91.1	Very high	94.7	Very high	72 Å²	72	62 Å²	62	37%	0.369	36%	0.357	S	S	.	.			trans	-85.5	90.6	179.5	-55.1	172	0	0	0	108.1	S154 I168 L170	S154-I156 VanDerWaalsContact C-N 3.31Å; I156-I168 HydrophobicContact CB-CB 4.11Å; I156-I168 HydrophobicContact CG2-CB 3.99Å; I156-I168 HydrophobicContact CG2-CD1 3.78Å; I156-I168 HydrophobicContact CG2-CG1 4.1Å; I156-I168 PolarHBondContact O-N 3.21Å; I156-L170 HydrophobicContact CD1-CB 4.42Å; I156-L170 HydrophobicContact CD1-CD2 4.27Å
157	E	93.1	Very high	94.5	Very high	133 Å²	133	65 Å²	65	62%	0.621	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.2	178.7	-60.5	-173.7	107.1	0	0	110.8	G155 Q166	G155-E157 PolarHBondContact O-N 3.42Å; E157-Q166 VanDerWaalsContact CA-O 3.24Å; E157-Q166 WeakPolarHBondContact CA-O 3.24Å
158	H	95	Very high	94.4	Very high	76 Å²	76	68.2 Å²	68.2	35%	0.352	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	151.1	176.8	60.1	-77.4	0	0	0	112	V165 Q166	H158-V165 WeakPolarHBondContact O-CA 3.44Å; H158-Q166 PolarHBondContact CE1-OE1 3.37Å; H158-Q166 PolarHBondContact N-O 2.6Å; H158-Q166 PolarHBondContact NE2-OE1 3.28Å; H158-Q166 PolarHBondContact O-N 2.94Å
159	V	96.8	Very high	94.5	Very high	98 Å²	98	69.8 Å²	69.8	59%	0.594	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.4	172.3	-177.1	0	0	0	0	107.9	V161 V164 V165	V159-V161 WeakPolarHBondContact CG1-O 3.36Å; V159-V164 WeakPolarHBondContact CA-O 3.35Å; V159-V165 HydrophobicContact CG2-CG2 4.33Å
160	I	95.6	Very high	94.7	Very high	89 Å²	89	71.6 Å²	71.6	46%	0.456	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-52.4	175.8	-47.4	177	0	0	0	109.7	V164 Q166	I160-V164 HydrophobicContact CB-CG1 4.26Å; I160-V164 HydrophobicContact CD1-CG1 3.75Å; I160-V164 HydrophobicContact CG1-CG1 4.17Å; I160-V164 PolarHBondContact N-O 3.48Å; I160-Q166 HydrophobicContact CD1-CG 3.71Å; I160-Q166 HydrophobicContact CG1-CG 4.12Å
161	V	95.9	Very high	94.9	Very high	90 Å²	90	71.5 Å²	71.5	55%	0.545	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	166.1	174.5	-65	0	0	0	0	107.5	V159 G163 V164	V159-V161 WeakPolarHBondContact CG1-O 3.36Å; V161-G163 PolarHBondContact O-N 3.43Å; V161-V164 HydrophobicContact CG2-CB 3.73Å; V161-V164 HydrophobicContact CG2-CG2 3.54Å; V161-V164 PolarHBondContact O-N 3.06Å
162	D	96.4	Very high	95.1	Very high	168 Å²	168	73.8 Å²	73.8	90%	0.898	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	129.7	178.6	-170.8	33.9	0	0	0	111.6	V164	D162-V164 VanDerWaalsContact C-N 3.3Å; D162-V164 PolarHBondContact O-N 2.94Å
163	G	97.1	Very high	95.3	Very high	73 Å²	73	76.4 Å²	76.4	75%	0.753	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-0.8	-175.2	0	0	0	0	0	117	V161	V161-G163 PolarHBondContact O-N 3.43Å
164	V	97.6	Very high	95.6	Very high	65 Å²	65	75.5 Å²	75.5	39%	0.394	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.9	179.8	-177.2	0	0	0	0	110.9	V159 I160 V161 D162	V159-V164 WeakPolarHBondContact CA-O 3.35Å; I160-V164 HydrophobicContact CB-CG1 4.26Å; I160-V164 HydrophobicContact CD1-CG1 3.75Å; I160-V164 HydrophobicContact CG1-CG1 4.17Å; I160-V164 PolarHBondContact N-O 3.48Å; V161-V164 HydrophobicContact CG2-CB 3.73Å; V161-V164 HydrophobicContact CG2-CG2 3.54Å; V161-V164 PolarHBondContact O-N 3.06Å; D162-V164 VanDerWaalsContact C-N 3.3Å; D162-V164 PolarHBondContact O-N 2.94Å
165	V	97.1	Very high	96	Very high	94 Å²	94	74.8 Å²	74.8	57%	0.57	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.9	-177.5	-172.9	0	0	0	0	110.3	H158 V159	H158-V165 WeakPolarHBondContact O-CA 3.44Å; V159-V165 HydrophobicContact CG2-CG2 4.33Å
166	Q	96.8	Very high	96.5	Very high	95 Å²	95	72.4 Å²	72.4	44%	0.444	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.9	171.2	-78.4	-178.2	-0.6	0	0	111	E157 H158 I160	E157-Q166 VanDerWaalsContact CA-O 3.24Å; E157-Q166 WeakPolarHBondContact CA-O 3.24Å; H158-Q166 PolarHBondContact CE1-OE1 3.37Å; H158-Q166 PolarHBondContact N-O 2.6Å; H158-Q166 PolarHBondContact NE2-OE1 3.28Å; H158-Q166 PolarHBondContact O-N 2.94Å; I160-Q166 HydrophobicContact CD1-CG 3.71Å; I160-Q166 HydrophobicContact CG1-CG 4.12Å
167	S	95.2	Very high	96.9	Very high	65 Å²	65	73.1 Å²	73.1	46%	0.455	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.8	168.2	-178.2	0	0	0	0	109.2
168	I	96	Very high	97.1	Very high	74 Å²	74	69.5 Å²	69.5	38%	0.379	40%	0.398	S	S	.	.			trans	-103.1	116.9	-178.3	-58.2	-176	0	0	0	109.6	S154 I156 L170	S154-I168 PolarHBondContact OG-O 2.87Å; I156-I168 HydrophobicContact CB-CB 4.11Å; I156-I168 HydrophobicContact CG2-CB 3.99Å; I156-I168 HydrophobicContact CG2-CD1 3.78Å; I156-I168 HydrophobicContact CG2-CG1 4.1Å; I156-I168 PolarHBondContact O-N 3.21Å; I168-L170 PolarHBondContact O-N 2.92Å; I168-L170 VanDerWaalsContact O-N 3.16Å
169	K	96.9	Very high	97.3	Very high	35 Å²	35	65.9 Å²	65.9	15%	0.152	38%	0.381	C	S	.	.			trans	-78.3	94.1	168.2	-173.8	178.3	-162.9	-91.4	0	110.1	E152 I171 M204 D208 Y255	E152-K169 WeakPolarHBondContact OE1-CD 3.26Å; E152-K169 WeakPolarHBondContact OE1-CE 3.5Å; K169-I171 HydrophobicContact CG-CG1 4.34Å; K169-M204 HydrophobicContact CD-SD 3.46Å; K169-M204 WeakPolarHBondContact CD-SD 3.47Å; K169-D208 IonicContact NZ-OD1 2.73Å; K169-D208 PolarHBondContact NZ-OD1 3.48Å; K169-Y255 VanDerWaalsContact CE-OH 3.31Å; K169-Y255 WeakPolarHBondContact CE-OH 3.47Å; K169-Y255 PolarHBondContact NZ-OH 3.44Å
170	L	97.3	Very high	97.4	Very high	67 Å²	67	61.2 Å²	61.2	35%	0.351	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-75.4	127	175.2	-176	68	0	0	0	110.2	G151 I156 I168 T172	G151-L170 VanDerWaalsContact CA-O 3.27Å; G151-L170 WeakPolarHBondContact CA-O 3.34Å; G151-L170 PolarHBondContact N-O 3.11Å; I156-L170 HydrophobicContact CD1-CB 4.42Å; I156-L170 HydrophobicContact CD1-CD2 4.27Å; I168-L170 PolarHBondContact O-N 2.92Å; I168-L170 VanDerWaalsContact O-N 3.16Å; L170-T172 HydrophobicContact CD1-CG2 4.42Å; L170-T172 HydrophobicContact CG-CG2 4.41Å
171	I	98.3	Very high	97.5	Very high	23 Å²	23	61.3 Å²	61.3	12%	0.118	35%	0.351	C	S	.	.			trans	-136.7	126.7	169.5	-61.6	-66.7	0	0	0	107.6	E150 K169 S176 S207 L210 F211 P252	E150-I171 WeakPolarHBondContact OE2-CA 3.37Å; K169-I171 HydrophobicContact CG-CG1 4.34Å; I171-S176 WeakPolarHBondContact CG2-OG 3.02Å; I171-S207 WeakPolarHBondContact CG2-O 3.37Å; I171-L210 HydrophobicContact CG2-CD2 4.36Å; I171-F211 HydrophobicContact CG2-CB 4.31Å; I171-P252 HydrophobicContact CD1-CB 4.24Å
172	T	98.4	Very high	97.6	Very high	49 Å²	49	58.4 Å²	58.4	30%	0.301	33%	0.331	S	S	.	.			trans	-112.9	156.4	177	74.2	0	0	0	0	111.6	E150 L170 G174 A175 S176	E150-T172 VanDerWaalsContact CD-OG1 3.28Å; E150-T172 WeakPolarHBondContact OE1-CB 3.23Å; E150-T172 WeakPolarHBondContact OE1-CG2 3.26Å; E150-T172 PolarHBondContact OE1-OG1 2.92Å; E150-T172 PolarHBondContact OE2-N 3.27Å; E150-T172 PolarHBondContact OE2-OG1 2.92Å; L170-T172 HydrophobicContact CD1-CG2 4.42Å; L170-T172 HydrophobicContact CG-CG2 4.41Å; T172-G174 VanDerWaalsContact C-N 3.3Å; T172-G174 PolarHBondContact O-N 3.25Å; T172-A175 WeakPolarHBondContact OG1-CB 3.33Å; T172-A175 PolarHBondContact OG1-N 3.03Å; T172-A175 VanDerWaalsContact OG1-N 3.15Å; T172-S176 VanDerWaalsContact O-CB 3.29Å; T172-S176 WeakPolarHBondContact O-CB 3.47Å; T172-S176 PolarHBondContact O-N 3.28Å; T172-S176 VanDerWaalsContact O-N 3.11Å; T172-S176 PolarHBondContact O-OG 3.34Å
173	E	98.4	Very high	97.7	Very high	104 Å²	104	50.4 Å²	50.4	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-44.2	171.4	163.7	165.6	-159.8	0	0	111.4	S176 K177 L210 K214	E173-S176 PolarHBondContact O-N 2.73Å; E173-K177 VanDerWaalsContact O-CB 3.23Å; E173-K177 WeakPolarHBondContact O-CB 3.35Å; E173-K177 PolarHBondContact O-N 3.38Å; E173-L210 HydrophobicContact CB-CD1 4.47Å; E173-K214 VanDerWaalsContact CD-CE 3.5Å; E173-K214 VanDerWaalsContact CD-NZ 3.33Å; E173-K214 HydrophobicContact CG-CD 3.8Å; E173-K214 HydrophobicContact CG-CG 4.4Å; E173-K214 WeakPolarHBondContact OE1-CE 3.41Å; E173-K214 IonicContact OE1-NZ 3.2Å; E173-K214 PolarHBondContact OE1-NZ 3.23Å
174	G	97.9	Very high	97.8	Very high	46 Å²	46	47 Å²	47	47%	0.474	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-49	-176.7	0	0	0	0	0	112.7	T172 R178	T172-G174 VanDerWaalsContact C-N 3.3Å; T172-G174 PolarHBondContact O-N 3.25Å; G174-R178 WeakPolarHBondContact O-CG 3.5Å; G174-R178 PolarHBondContact O-N 3.04Å; G174-R178 VanDerWaalsContact O-N 3.08Å
175	A	97.8	Very high	97.8	Very high	3 Å²	3	48 Å²	48	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-41.4	178.5	0	0	0	0	0	112.4	E147 E150 T172 R178 I179	E147-A175 HydrophobicContact CG-CB 4.28Å; E150-A175 HydrophobicContact CG-CB 3.93Å; E150-A175 VanDerWaalsContact OE1-CB 3.28Å; E150-A175 WeakPolarHBondContact OE1-CB 3.42Å; E150-A175 VanDerWaalsContact OE2-CB 3.31Å; E150-A175 WeakPolarHBondContact OE2-CB 3.35Å; T172-A175 WeakPolarHBondContact OG1-CB 3.33Å; T172-A175 PolarHBondContact OG1-N 3.03Å; T172-A175 VanDerWaalsContact OG1-N 3.15Å; A175-R178 VanDerWaalsContact O-CG 3.31Å; A175-R178 WeakPolarHBondContact O-CG 3.41Å; A175-I179 VanDerWaalsContact O-CG2 3.3Å; A175-I179 WeakPolarHBondContact O-CG2 3.4Å; A175-I179 PolarHBondContact O-N 3.37Å; A175-I179 VanDerWaalsContact O-N 3.16Å
176	S	98.7	Very high	97.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-40.5	178.6	-57.7	0	0	0	0	112.3	I171 T172 E173 I179 A180	I171-S176 WeakPolarHBondContact CG2-OG 3.02Å; T172-S176 VanDerWaalsContact O-CB 3.29Å; T172-S176 WeakPolarHBondContact O-CB 3.47Å; T172-S176 PolarHBondContact O-N 3.28Å; T172-S176 VanDerWaalsContact O-N 3.11Å; T172-S176 PolarHBondContact O-OG 3.34Å; E173-S176 PolarHBondContact O-N 2.73Å; S176-I179 WeakPolarHBondContact O-CG2 3.44Å; S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 3.07Å
177	K	98.4	Very high	97.9	Very high	86 Å²	86	40.7 Å²	40.7	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-68.1	-49.1	178.3	-176.3	172.1	176.2	173.7	0	111.6	E173 I179 A180 E181 K214 V218	E173-K177 VanDerWaalsContact O-CB 3.23Å; E173-K177 WeakPolarHBondContact O-CB 3.35Å; E173-K177 PolarHBondContact O-N 3.38Å; K177-I179 VanDerWaalsContact C-N 3.35Å; K177-I179 PolarHBondContact O-N 3.07Å; K177-A180 PolarHBondContact O-N 2.94Å; K177-E181 WeakPolarHBondContact CE-OE1 3.38Å; K177-E181 HydrophobicContact CG-CG 4.39Å; K177-E181 WeakPolarHBondContact O-CG 3.28Å; K177-E181 PolarHBondContact O-N 3.44Å; K177-K214 HydrophobicContact CB-CB 4.36Å; K177-K214 HydrophobicContact CB-CD 4.46Å; K177-V218 HydrophobicContact CG-CG2 4.31Å
178	R	97.9	Very high	98	Very high	57 Å²	57	42 Å²	42	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-38	-177.4	70.7	-177.9	178.4	168.5	-2.7	112.9	D119 Y121 E147 T149 G174 A175 F182	D119-R178 IonicContact OD1-CZ 2.9Å; D119-R178 IonicContact OD1-NH1 3.19Å; D119-R178 PolarHBondContact OD1-NH1 3.04Å; D119-R178 VanDerWaalsContact OD1-NH1 3.08Å; D119-R178 IonicContact OD1-NH2 3.74Å; D119-R178 PolarHBondContact OD1-NH2 3.22Å; D119-R178 IonicContact OD2-NH1 3.34Å; D119-R178 PolarHBondContact OD2-NH1 2.85Å; Y121-R178 VanDerWaalsContact CB-NH2 3.26Å; Y121-R178 HydrophobicContact CD2-CG 3.75Å; Y121-R178 HydrophobicContact CE2-CB 4.24Å; Y121-R178 HydrophobicContact CE2-CG 3.9Å; Y121-R178 HydrophobicContact CG-CG 4.43Å; E147-R178 IonicContact OE1-NH2 2.61Å; T149-R178 PolarHBondContact OG1-NH2 2.87Å; G174-R178 WeakPolarHBondContact O-CG 3.5Å; G174-R178 PolarHBondContact O-N 3.04Å; G174-R178 VanDerWaalsContact O-N 3.08Å; A175-R178 VanDerWaalsContact O-CG 3.31Å; A175-R178 WeakPolarHBondContact O-CG 3.41Å; R178-F182 VanDerWaalsContact O-CB 3.31Å; R178-F182 WeakPolarHBondContact O-CB 3.31Å; R178-F182 PolarHBondContact O-N 2.98Å
179	I	98.6	Very high	98	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.6	-35.3	178.7	-165.6	65	0	0	0	111.8	Y121 A122 I145 E147 A175 S176 K177 F182 A183 F211 V250	Y121-I179 HydrophobicContact CD2-CD1 4.31Å; Y121-I179 HydrophobicContact CE2-CD1 4.42Å; A122-I179 HydrophobicContact CB-CD1 3.55Å; I145-I179 HydrophobicContact CG2-CD1 3.62Å; I145-I179 HydrophobicContact CG2-CG1 4.08Å; E147-I179 HydrophobicContact CB-CB 4.16Å; E147-I179 HydrophobicContact CB-CG1 3.95Å; E147-I179 HydrophobicContact CB-CG2 4.05Å; E147-I179 HydrophobicContact CG-CB 4.02Å; E147-I179 HydrophobicContact CG-CG1 4.33Å; E147-I179 HydrophobicContact CG-CG2 3.96Å; A175-I179 VanDerWaalsContact O-CG2 3.3Å; A175-I179 WeakPolarHBondContact O-CG2 3.4Å; A175-I179 PolarHBondContact O-N 3.37Å; A175-I179 VanDerWaalsContact O-N 3.16Å; S176-I179 WeakPolarHBondContact O-CG2 3.44Å; K177-I179 VanDerWaalsContact C-N 3.35Å; K177-I179 PolarHBondContact O-N 3.07Å; I179-F182 PolarHBondContact O-N 2.96Å; I179-A183 WeakPolarHBondContact O-CB 3.44Å; I179-A183 PolarHBondContact O-N 2.78Å; I179-F211 HydrophobicContact CG2-CE2 3.83Å; I179-V250 HydrophobicContact CG1-CG2 4.03Å; I179-V250 HydrophobicContact CG2-CG2 4.4Å
180	A	98.7	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-48.7	173.2	0	0	0	0	0	110.9	S176 K177 F182 A183 F184 C215 V218	S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 3.07Å; K177-A180 PolarHBondContact O-N 2.94Å; A180-F182 VanDerWaalsContact C-N 3.3Å; A180-F182 PolarHBondContact O-N 3.3Å; A180-A183 PolarHBondContact O-N 2.87Å; A180-A183 VanDerWaalsContact O-N 3.08Å; A180-F184 VanDerWaalsContact O-CD2 3.32Å; A180-F184 WeakPolarHBondContact O-CD2 3.45Å; A180-F184 PolarHBondContact O-N 2.79Å; A180-C215 HydrophobicContact CB-CB 4.47Å; A180-V218 HydrophobicContact CB-CB 4.06Å; A180-V218 HydrophobicContact CB-CG1 4.38Å; A180-V218 HydrophobicContact CB-CG2 3.87Å
181	E	98.3	Very high	97.9	Very high	92 Å²	92	49.6 Å²	49.6	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-55	-47.5	175.1	-72.6	172.3	165.9	0	0	111.2	K177 A183 F184 E185 V218	K177-E181 WeakPolarHBondContact CE-OE1 3.38Å; K177-E181 HydrophobicContact CG-CG 4.39Å; K177-E181 WeakPolarHBondContact O-CG 3.28Å; K177-E181 PolarHBondContact O-N 3.44Å; E181-A183 VanDerWaalsContact C-N 3.34Å; E181-A183 PolarHBondContact O-N 2.93Å; E181-F184 PolarHBondContact O-N 3.36Å; E181-E185 WeakPolarHBondContact O-CB 3.44Å; E181-E185 PolarHBondContact O-N 2.96Å; E181-V218 HydrophobicContact CG-CG1 4.03Å; E181-V218 HydrophobicContact CG-CG2 3.66Å
182	F	98.3	Very high	97.9	Very high	28 Å²	28	50.6 Å²	50.6	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-43.5	175.4	-178.7	-84.7	0	0	0	112.3	Y121 A122 V124 I145 R178 I179 A180 E185 Y186 I278	Y121-F182 HydrophobicContact CE2-CB 4.18Å; Y121-F182 HydrophobicContact CE2-CG 4.49Å; Y121-F182 WeakPolarHBondContact OH-CD2 3.49Å; A122-F182 HydrophobicContact CB-CD1 3.83Å; A122-F182 HydrophobicContact CB-CD2 4.17Å; A122-F182 HydrophobicContact CB-CE1 3.93Å; A122-F182 HydrophobicContact CB-CE2 4.23Å; A122-F182 HydrophobicContact CB-CG 3.97Å; A122-F182 HydrophobicContact CB-CZ 4.12Å; V124-F182 HydrophobicContact CG2-CE1 3.39Å; V124-F182 HydrophobicContact CG2-CZ 3.55Å; I145-F182 HydrophobicContact CD1-CD1 4.28Å; I145-F182 HydrophobicContact CD1-CE1 4.21Å; I145-F182 HydrophobicContact CG2-CD1 3.79Å; I145-F182 HydrophobicContact CG2-CE1 4.15Å; R178-F182 VanDerWaalsContact O-CB 3.31Å; R178-F182 WeakPolarHBondContact O-CB 3.31Å; R178-F182 PolarHBondContact O-N 2.98Å; I179-F182 PolarHBondContact O-N 2.96Å; A180-F182 VanDerWaalsContact C-N 3.3Å; A180-F182 PolarHBondContact O-N 3.3Å; F182-E185 PolarHBondContact O-N 3.35Å; F182-Y186 WeakPolarHBondContact O-CB 3.44Å; F182-Y186 PolarHBondContact O-N 2.9Å; F182-I278 HydrophobicContact CE2-CB 4.13Å; F182-I278 HydrophobicContact CE2-CG1 4.22Å; F182-I278 HydrophobicContact CE2-CG2 4.03Å; F182-I278 HydrophobicContact CZ-CB 4.36Å; F182-I278 HydrophobicContact CZ-CG1 4.01Å
183	A	98.7	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-42.6	-178.8	0	0	0	0	0	113	I145 I179 A180 E181 A187 V195 V250	I145-A183 HydrophobicContact CB-CB 4.48Å; I145-A183 HydrophobicContact CD1-CB 3.83Å; I145-A183 HydrophobicContact CG2-CB 4.21Å; I179-A183 WeakPolarHBondContact O-CB 3.44Å; I179-A183 PolarHBondContact O-N 2.78Å; A180-A183 PolarHBondContact O-N 2.87Å; A180-A183 VanDerWaalsContact O-N 3.08Å; E181-A183 VanDerWaalsContact C-N 3.34Å; E181-A183 PolarHBondContact O-N 2.93Å; A183-A187 WeakPolarHBondContact O-CB 3.26Å; A183-A187 PolarHBondContact O-N 3.3Å; A183-V195 HydrophobicContact CB-CG1 4.37Å; A183-V250 HydrophobicContact CB-CB 3.73Å; A183-V250 HydrophobicContact CB-CG1 4.39Å; A183-V250 HydrophobicContact CB-CG2 3.69Å
184	F	98.7	Very high	97.8	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-39.7	175.8	-81.7	-84	0	0	0	112.2	A180 E181 A187 R188 V195 V218 A219 C222 I225 F227	A180-F184 VanDerWaalsContact O-CD2 3.32Å; A180-F184 WeakPolarHBondContact O-CD2 3.45Å; A180-F184 PolarHBondContact O-N 2.79Å; E181-F184 PolarHBondContact O-N 3.36Å; F184-A187 PolarHBondContact O-N 3.39Å; F184-R188 PolarHBondContact O-N 2.74Å; F184-V195 HydrophobicContact CD1-CG2 4.16Å; F184-V195 HydrophobicContact CE1-CB 4.21Å; F184-V195 HydrophobicContact CE1-CG2 4.22Å; F184-V195 HydrophobicContact CE2-CB 4.49Å; F184-V195 HydrophobicContact CE2-CG1 4.3Å; F184-V195 HydrophobicContact CG-CG2 4.43Å; F184-V195 HydrophobicContact CZ-CB 4.13Å; F184-V195 HydrophobicContact CZ-CG1 4.38Å; F184-V218 HydrophobicContact CB-CG1 4.32Å; F184-V218 HydrophobicContact CD2-CB 4.34Å; F184-V218 HydrophobicContact CD2-CG1 3.53Å; F184-V218 HydrophobicContact CE2-CG1 4.14Å; F184-V218 HydrophobicContact CG-CG1 4.13Å; F184-A219 HydrophobicContact CE1-CB 4.19Å; F184-A219 HydrophobicContact CE2-CB 4.03Å; F184-A219 HydrophobicContact CZ-CB 3.47Å; F184-A219 VanDerWaalsContact CZ-CB 3.47Å; F184-C222 HydrophobicContact CB-CB 4.18Å; F184-C222 HydrophobicContact CD1-CB 3.45Å; F184-C222 VanDerWaalsContact CD1-CB 3.45Å; F184-C222 HydrophobicContact CE1-CB 4.03Å; F184-C222 HydrophobicContact CG-CB 3.95Å; F184-I225 HydrophobicContact CB-CD1 4.39Å; F184-I225 HydrophobicContact CD1-CB 3.93Å; F184-I225 HydrophobicContact CD1-CD1 3.86Å; F184-I225 HydrophobicContact CD1-CG2 4Å; F184-I225 HydrophobicContact CE1-CB 4.05Å; F184-I225 HydrophobicContact CE1-CG2 3.96Å; F184-I225 WeakPolarHBondContact O-CD1 3.28Å; F184-F227 HydrophobicContact CE1-CB 4.42Å; F184-F227 HydrophobicContact CE2-CD2 4.2Å; F184-F227 HydrophobicContact CZ-CB 3.99Å; F184-F227 AromaticContact CZ-CD2 3.61Å; F184-F227 HydrophobicContact CZ-CD2 3.61Å; F184-F227 HydrophobicContact CZ-CE2 4.42Å; F184-F227 HydrophobicContact CZ-CG 4.02Å
185	E	97.4	Very high	97.9	Very high	87 Å²	87	46.1 Å²	46.1	41%	0.407	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-44.4	174	-178.7	174.6	-171.9	0	0	111.5	E181 F182 A187 R188 N189	E181-E185 WeakPolarHBondContact O-CB 3.44Å; E181-E185 PolarHBondContact O-N 2.96Å; F182-E185 PolarHBondContact O-N 3.35Å; E185-A187 VanDerWaalsContact C-N 3.33Å; E185-A187 PolarHBondContact O-N 3.25Å; E185-R188 PolarHBondContact O-N 2.85Å; E185-N189 WeakPolarHBondContact CG-ND2 3.35Å; E185-N189 WeakPolarHBondContact O-CB 3.34Å; E185-N189 VanDerWaalsContact O-CG 3.24Å; E185-N189 PolarHBondContact O-N 3.46Å; E185-N189 PolarHBondContact O-ND2 3.29Å
186	Y	97.7	Very high	97.9	Very high	36 Å²	36	46 Å²	46	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-48.2	174.3	178.8	-85.6	0	0	0	110.9	V124 V143 I145 F182 R188 N189 N190 V248	V124-Y186 HydrophobicContact CG1-CD2 4.25Å; V124-Y186 HydrophobicContact CG1-CE2 3.71Å; V143-Y186 HydrophobicContact CB-CE1 4.08Å; V143-Y186 HydrophobicContact CG1-CD1 4.46Å; V143-Y186 HydrophobicContact CG1-CE1 3.66Å; V143-Y186 HydrophobicContact CG2-CE1 4.01Å; I145-Y186 HydrophobicContact CD1-CD1 3.84Å; I145-Y186 HydrophobicContact CD1-CG 3.85Å; F182-Y186 WeakPolarHBondContact O-CB 3.44Å; F182-Y186 PolarHBondContact O-N 2.9Å; Y186-R188 VanDerWaalsContact C-N 3.35Å; Y186-R188 PolarHBondContact O-N 3.28Å; Y186-N189 PolarHBondContact O-N 2.91Å; Y186-N190 WeakPolarHBondContact CD2-ND2 3.34Å; Y186-N190 HydrophobicContact CE1-CB 4.26Å; Y186-N190 WeakPolarHBondContact CE2-ND2 3.47Å; Y186-N190 WeakPolarHBondContact O-CB 3.32Å; Y186-N190 PolarHBondContact O-N 3.38Å; Y186-N190 PolarHBondContact O-ND2 3.46Å; Y186-V248 HydrophobicContact CD1-CG2 4.32Å; Y186-V248 HydrophobicContact CE1-CG2 4.45Å
187	A	98.4	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-48.2	179.2	0	0	0	0	0	111.2	A183 F184 E185 N189 N190 H191 R192 V195 I225 V248	A183-A187 WeakPolarHBondContact O-CB 3.26Å; A183-A187 PolarHBondContact O-N 3.3Å; F184-A187 PolarHBondContact O-N 3.39Å; E185-A187 VanDerWaalsContact C-N 3.33Å; E185-A187 PolarHBondContact O-N 3.25Å; A187-N189 PolarHBondContact O-N 2.77Å; A187-N190 CarbonylContact O-C 3.57Å; A187-N190 PolarHBondContact O-N 2.88Å; A187-H191 PolarHBondContact O-N 3.35Å; A187-H191 VanDerWaalsContact O-N 3.13Å; A187-R192 HydrophobicContact CB-CB 3.89Å; A187-R192 PolarHBondContact O-N 3.35Å; A187-V195 HydrophobicContact CB-CG2 3.81Å; A187-I225 HydrophobicContact CB-CD1 3.83Å; A187-I225 HydrophobicContact CB-CG1 4.5Å; A187-I225 HydrophobicContact CB-CG2 4.41Å; A187-V248 HydrophobicContact CB-CG2 4.21Å
188	R	97.3	Very high	97.9	Very high	91 Å²	91	41.9 Å²	41.9	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-48.8	177.8	-170.2	177.7	-63.3	110.3	2.2	112.7	F184 E185 Y186 N190 H191 C222 D224 I225	F184-R188 PolarHBondContact O-N 2.74Å; E185-R188 PolarHBondContact O-N 2.85Å; Y186-R188 VanDerWaalsContact C-N 3.35Å; Y186-R188 PolarHBondContact O-N 3.28Å; R188-N190 PolarHBondContact O-N 3.44Å; R188-H191 PolarHBondContact O-N 2.65Å; R188-C222 PolarHBondContact NH2-SG 3.01Å; R188-C222 VanDerWaalsContact NH2-SG 3.36Å; R188-D224 IonicContact CZ-OD1 2.81Å; R188-D224 IonicContact CZ-OD2 2.64Å; R188-D224 IonicContact NE-OD1 3.22Å; R188-D224 IonicContact NE-OD2 2.68Å; R188-D224 PolarHBondContact NE-OD2 2.85Å; R188-D224 IonicContact NH2-OD1 3.31Å; R188-D224 PolarHBondContact NH2-OD1 3.08Å; R188-D224 IonicContact NH2-OD2 3.58Å; R188-D224 PolarHBondContact NH2-OD2 2.83Å; R188-I225 HydrophobicContact CB-CD1 4.1Å
189	N	95.2	Very high	97.9	Very high	88 Å²	88	39.7 Å²	39.7	47%	0.471	19%	0.193	S	C	.	.	H	α-helix	trans	-69.6	-21.2	-175.7	-70	-17.8	0	0	0	113.1	E185 Y186 A187	E185-N189 WeakPolarHBondContact CG-ND2 3.35Å; E185-N189 WeakPolarHBondContact O-CB 3.34Å; E185-N189 VanDerWaalsContact O-CG 3.24Å; E185-N189 PolarHBondContact O-N 3.46Å; E185-N189 PolarHBondContact O-ND2 3.29Å; Y186-N189 PolarHBondContact O-N 2.91Å; A187-N189 PolarHBondContact O-N 2.77Å
190	N	95.8	Very high	97.9	Very high	73 Å²	73	41.7 Å²	41.7	39%	0.39	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	19.5	179.4	-63.7	-90.9	0	0	0	112.4	Y186 A187 R188 R192	Y186-N190 WeakPolarHBondContact CD2-ND2 3.34Å; Y186-N190 HydrophobicContact CE1-CB 4.26Å; Y186-N190 WeakPolarHBondContact CE2-ND2 3.47Å; Y186-N190 WeakPolarHBondContact O-CB 3.32Å; Y186-N190 PolarHBondContact O-N 3.38Å; Y186-N190 PolarHBondContact O-ND2 3.46Å; A187-N190 CarbonylContact O-C 3.57Å; A187-N190 PolarHBondContact O-N 2.88Å; R188-N190 PolarHBondContact O-N 3.44Å; N190-R192 HydrophobicContact CB-CG 4.24Å; N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.17Å
191	H	96.6	Very high	97.8	Very high	175 Å²	175	42.5 Å²	42.5	81%	0.81	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.1	176.8	-52.6	-64.3	0	0	0	114.1	A187 R188	A187-H191 PolarHBondContact O-N 3.35Å; A187-H191 VanDerWaalsContact O-N 3.13Å; R188-H191 PolarHBondContact O-N 2.65Å
192	R	97.9	Very high	97.7	Very high	44 Å²	44	41.2 Å²	41.2	17%	0.166	21%	0.205	C	C	.	.			trans	-87.9	149.6	173.1	-53.4	-51.3	-164.8	129.5	-9.2	110	N141 A187 N190 D247 V248	N141-R192 PolarHBondContact O-NH1 2.95Å; N141-R192 PolarHBondContact OD1-NH1 3.12Å; N141-R192 PolarHBondContact OD1-NH2 3.36Å; A187-R192 HydrophobicContact CB-CB 3.89Å; A187-R192 PolarHBondContact O-N 3.35Å; N190-R192 HydrophobicContact CB-CG 4.24Å; N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.17Å; R192-D247 WeakPolarHBondContact CB-OD2 3.38Å; R192-D247 VanDerWaalsContact CD-OD1 3.27Å; R192-D247 WeakPolarHBondContact CD-OD1 3.44Å; R192-D247 IonicContact CZ-OD1 2.69Å; R192-D247 IonicContact NE-OD1 3.53Å; R192-D247 IonicContact NH1-OD1 3.84Å; R192-D247 PolarHBondContact NH1-OD1 3.48Å; R192-V248 HydrophobicContact CB-CG2 3.75Å; R192-V248 HydrophobicContact CG-CG2 3.72Å
193	S	97.3	Very high	97.6	Very high	86 Å²	86	45.7 Å²	45.7	60%	0.601	23%	0.228	S	C	*	.			trans	-110.2	-17.9	-169.5	-61.7	0	0	0	0	113.1	K226 D247	S193-K226 WeakPolarHBondContact O-CB 3.41Å; S193-K226 PolarHBondContact O-N 2.74Å; S193-D247 PolarHBondContact N-OD2 3.32Å
194	N	98.3	Very high	97.6	Very high	20 Å²	20	48 Å²	48	11%	0.107	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.8	-174	-170.8	69.4	0	0	0	112.8	T196 K226 N228 D247 V248	N194-T196 PolarHBondContact ND2-OG1 3.04Å; N194-K226 CarbonylContact C-O 3.59Å; N194-K226 WeakPolarHBondContact CA-O 3.42Å; N194-K226 HydrophobicContact CB-CB 4.4Å; N194-K226 WeakPolarHBondContact OD1-CB 3.44Å; N194-K226 WeakPolarHBondContact OD1-CD 3.35Å; N194-K226 WeakPolarHBondContact OD1-CG 3.3Å; N194-K226 PolarHBondContact OD1-O 2.95Å; N194-N228 PolarHBondContact ND2-OD1 3.3Å; N194-N228 PolarHBondContact OD1-OD1 3.35Å; N194-D247 HydrophobicContact CB-CB 4.1Å; N194-D247 PolarHBondContact N-OD2 3.06Å; N194-V248 WeakPolarHBondContact O-CB 3.22Å; N194-V248 PolarHBondContact O-N 2.9Å; N194-V248 VanDerWaalsContact O-N 3.08Å
195	V	98.8	Very high	97.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.1	168.3	178.6	0	0	0	0	109.7	A183 F184 A187 I225 K226 F227 N228 V248 V250	A183-V195 HydrophobicContact CB-CG1 4.37Å; F184-V195 HydrophobicContact CD1-CG2 4.16Å; F184-V195 HydrophobicContact CE1-CB 4.21Å; F184-V195 HydrophobicContact CE1-CG2 4.22Å; F184-V195 HydrophobicContact CE2-CB 4.49Å; F184-V195 HydrophobicContact CE2-CG1 4.3Å; F184-V195 HydrophobicContact CG-CG2 4.43Å; F184-V195 HydrophobicContact CZ-CB 4.13Å; F184-V195 HydrophobicContact CZ-CG1 4.38Å; A187-V195 HydrophobicContact CB-CG2 3.81Å; V195-I225 HydrophobicContact CB-CG2 4.41Å; V195-I225 HydrophobicContact CG2-CG2 3.81Å; V195-K226 PolarHBondContact N-O 2.79Å; V195-F227 WeakPolarHBondContact O-CA 3.15Å; V195-F227 WeakPolarHBondContact O-CD2 3.05Å; V195-N228 PolarHBondContact O-N 2.89Å; V195-N228 VanDerWaalsContact O-N 3.12Å; V195-V248 CarbonylContact C-O 3.34Å; V195-V248 WeakPolarHBondContact CA-O 3.21Å; V195-V248 HydrophobicContact CG2-CB 4.15Å; V195-V248 HydrophobicContact CG2-CG1 4.22Å; V195-V250 HydrophobicContact CG1-CB 4.26Å; V195-V250 HydrophobicContact CG1-CG1 3.65Å
196	T	98.8	Very high	97.5	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122	172.4	-59	0	0	0	0	110.8	N194 V198 N228 M230 V248 L249 V250	N194-T196 PolarHBondContact ND2-OG1 3.04Å; T196-V198 HydrophobicContact CG2-CG2 4.5Å; T196-N228 CarbonylContact C-O 3.58Å; T196-N228 VanDerWaalsContact CA-O 3.25Å; T196-N228 WeakPolarHBondContact CA-O 3.23Å; T196-N228 WeakPolarHBondContact CB-ND2 3.49Å; T196-N228 WeakPolarHBondContact CG2-ND2 3.46Å; T196-N228 VanDerWaalsContact OG1-CG 3.32Å; T196-N228 PolarHBondContact OG1-ND2 3.14Å; T196-N228 PolarHBondContact OG1-OD1 3.17Å; T196-N228 VanDerWaalsContact OG1-OD1 3.06Å; T196-M230 HydrophobicContact CG2-CB 3.87Å; T196-M230 HydrophobicContact CG2-CE 4.29Å; T196-V248 PolarHBondContact N-O 3.07Å; T196-L249 HydrophobicContact CG2-CD2 4.1Å; T196-L249 CarbonylContact O-C 3.57Å; T196-L249 WeakPolarHBondContact O-CA 3.27Å; T196-V250 PolarHBondContact O-N 3.04Å
197	A	98.8	Very high	97.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.6	168.4	0	0	0	0	0	110.6	F211 L212 C215 F227 N228 E229 M230 V250	A197-F211 HydrophobicContact CB-CE1 4.31Å; A197-L212 HydrophobicContact CB-CD2 3.86Å; A197-C215 HydrophobicContact CB-CB 4.14Å; A197-F227 HydrophobicContact CB-CE2 3.72Å; A197-F227 HydrophobicContact CB-CZ 3.88Å; A197-N228 PolarHBondContact N-O 3.39Å; A197-E229 HydrophobicContact CB-CG 4.4Å; A197-E229 WeakPolarHBondContact O-CA 3.42Å; A197-M230 PolarHBondContact O-N 2.96Å; A197-V250 WeakPolarHBondContact CA-O 3.45Å; A197-V250 HydrophobicContact CB-CG1 4.11Å
198	V	98.8	Very high	97.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.8	179.2	-171.2	0	0	0	0	110.5	T196 M230 L232 V235 L249 V250 M251 L259	T196-V198 HydrophobicContact CG2-CG2 4.5Å; V198-M230 WeakPolarHBondContact CA-O 3.23Å; V198-L232 HydrophobicContact CG1-CB 4.06Å; V198-L232 HydrophobicContact CG1-CD1 3.95Å; V198-V235 HydrophobicContact CG1-CB 4.44Å; V198-V235 HydrophobicContact CG1-CG2 3.97Å; V198-V235 HydrophobicContact CG2-CG2 4.06Å; V198-L249 HydrophobicContact CG2-CB 4.29Å; V198-L249 HydrophobicContact CG2-CD2 4.46Å; V198-V250 PolarHBondContact N-O 3.32Å; V198-M251 HydrophobicContact CB-CB 3.87Å; V198-M251 HydrophobicContact CG2-CB 4.4Å; V198-M251 HydrophobicContact CG2-CE 4.46Å; V198-M251 HydrophobicContact CG2-SD 4.43Å; V198-L259 HydrophobicContact CB-CD1 4.3Å; V198-L259 HydrophobicContact CG1-CD1 3.82Å; V198-L259 HydrophobicContact CG2-CD1 4Å
199	H	98.4	Very high	97.6	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	176.3	-173.4	69.9	105.7	0	0	0	113.2	A201 D208 L212 M230 Y231 L232	H199-A201 VanDerWaalsContact ND1-CB 3.26Å; H199-A201 WeakPolarHBondContact ND1-CB 3.5Å; H199-A201 PolarHBondContact ND1-N 3.29Å; H199-D208 HydrophobicContact CB-CB 4.26Å; H199-L212 HydrophobicContact CB-CD1 4.34Å; H199-L212 HydrophobicContact CB-CD2 4.03Å; H199-L212 HydrophobicContact CB-CG 4.14Å; H199-L212 WeakPolarHBondContact ND1-CD1 3.4Å; H199-M230 PolarHBondContact CD2-O 3.37Å; H199-M230 PolarHBondContact N-O 3.13Å; H199-M230 VanDerWaalsContact N-O 3.08Å; H199-Y231 AromaticContact CE1-CD1 3.36Å; H199-Y231 WeakPolarHBondContact CE1-CD1 3.42Å; H199-Y231 AromaticContact CE1-CE1 3.27Å; H199-Y231 WeakPolarHBondContact CE1-CE1 3.43Å; H199-Y231 AromaticContact ND1-CD1 3.82Å; H199-Y231 AromaticContact ND1-CE1 3.92Å; H199-Y231 AromaticContact NE2-CD1 3.81Å; H199-Y231 CarbonylContact O-C 3.53Å; H199-Y231 WeakPolarHBondContact O-CA 3.44Å; H199-L232 PolarHBondContact O-N 3.2Å
200	K	97.6	Very high	97.7	Very high	42 Å²	42	55.7 Å²	55.7	18%	0.183	28%	0.282	C	S	.	.			trans	-139.6	46.4	169.9	-165.9	65.9	171.1	171.8	0	110.5	N202 I203 M204 D208 D233	K200-N202 WeakPolarHBondContact CD-OD1 3.41Å; K200-N202 PolarHBondContact O-N 3.48Å; K200-N202 VanDerWaalsContact O-N 3.15Å; K200-N202 PolarHBondContact O-OD1 3.39Å; K200-I203 HydrophobicContact CG-CB 4.3Å; K200-I203 HydrophobicContact CG-CG1 4.12Å; K200-I203 PolarHBondContact O-N 3.12Å; K200-M204 HydrophobicContact CB-CE 3.59Å; K200-M204 HydrophobicContact CG-CE 4.02Å; K200-M204 PolarHBondContact O-N 3.04Å; K200-D208 WeakPolarHBondContact CA-OD2 3.25Å; K200-D208 PolarHBondContact N-OD2 2.85Å; K200-D233 IonicContact NZ-OD1 3.38Å; K200-D233 PolarHBondContact NZ-OD1 2.87Å; K200-D233 IonicContact NZ-OD2 3.9Å; K200-D233 PolarHBondContact NZ-OD2 3Å
201	A	96.7	Very high	97.9	Very high	18 Å²	18	52.3 Å²	52.3	15%	0.149	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.8	-174.4	0	0	0	0	0	114.9	H199 I203 R205 D208 L212	H199-A201 VanDerWaalsContact ND1-CB 3.26Å; H199-A201 WeakPolarHBondContact ND1-CB 3.5Å; H199-A201 PolarHBondContact ND1-N 3.29Å; A201-I203 PolarHBondContact O-N 3.5Å; A201-R205 VanDerWaalsContact O-CA 3.28Å; A201-R205 WeakPolarHBondContact O-CA 3.43Å; A201-R205 WeakPolarHBondContact O-CG 3.46Å; A201-R205 PolarHBondContact O-N 2.87Å; A201-D208 HydrophobicContact CB-CB 3.84Å; A201-L212 HydrophobicContact CB-CD1 3.95Å
202	N	96	Very high	98	Very high	65 Å²	65	44.2 Å²	44.2	35%	0.348	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.4	170.8	66.5	-42	0	0	0	112	K200 Y231	K200-N202 WeakPolarHBondContact CD-OD1 3.41Å; K200-N202 PolarHBondContact O-N 3.48Å; K200-N202 VanDerWaalsContact O-N 3.15Å; K200-N202 PolarHBondContact O-OD1 3.39Å; N202-Y231 HydrophobicContact CB-CE1 4.27Å
203	I	97.3	Very high	98	Very high	121 Å²	121	46.4 Å²	46.4	62%	0.621	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-55.3	173.9	-53.4	-55.3	0	0	0	110	K200 A201 R205	K200-I203 HydrophobicContact CG-CB 4.3Å; K200-I203 HydrophobicContact CG-CG1 4.12Å; K200-I203 PolarHBondContact O-N 3.12Å; A201-I203 PolarHBondContact O-N 3.5Å; I203-R205 PolarHBondContact O-N 3.32Å
204	M	97.1	Very high	98.1	Very high	50 Å²	50	42.9 Å²	42.9	25%	0.246	21%	0.212	C	C	.	.	S	Bend	trans	-92.2	65.1	-177.5	-78.3	164.9	-68.1	0	0	111.7	K169 K200 M206 S207 D208 Y255	K169-M204 HydrophobicContact CD-SD 3.46Å; K169-M204 WeakPolarHBondContact CD-SD 3.47Å; K200-M204 HydrophobicContact CB-CE 3.59Å; K200-M204 HydrophobicContact CG-CE 4.02Å; K200-M204 PolarHBondContact O-N 3.04Å; M204-M206 VanDerWaalsContact C-N 3.27Å; M204-M206 PolarHBondContact O-N 3.15Å; M204-S207 WeakPolarHBondContact CB-OG 3.46Å; M204-D208 HydrophobicContact CB-CB 4.2Å; M204-D208 WeakPolarHBondContact O-CB 3.36Å; M204-D208 PolarHBondContact O-N 2.75Å; M204-D208 VanDerWaalsContact O-N 3.08Å; M204-Y255 WeakPolarHBondContact CE-OH 3.5Å; M204-Y255 PolarHBondContact SD-OH 3.3Å
205	R	97.2	Very high	98.1	Very high	198 Å²	198	42 Å²	42	75%	0.747	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-35	-170.7	-61.8	-179.8	-171.3	172.7	2.8	114.4	A201 I203 G209	A201-R205 VanDerWaalsContact O-CA 3.28Å; A201-R205 WeakPolarHBondContact O-CA 3.43Å; A201-R205 WeakPolarHBondContact O-CG 3.46Å; A201-R205 PolarHBondContact O-N 2.87Å; I203-R205 PolarHBondContact O-N 3.32Å; R205-G209 VanDerWaalsContact O-CA 3.26Å; R205-G209 WeakPolarHBondContact O-CA 3.49Å; R205-G209 PolarHBondContact O-N 2.91Å
206	M	98.1	Very high	98.1	Very high	170 Å²	170	47.1 Å²	47.1	84%	0.837	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-54.2	-176.7	-65.6	179.4	69.6	0	0	112.3	M204 G209 L210	M204-M206 VanDerWaalsContact C-N 3.27Å; M204-M206 PolarHBondContact O-N 3.15Å; M206-G209 PolarHBondContact O-N 3.39Å; M206-L210 WeakPolarHBondContact O-CB 3.42Å; M206-L210 PolarHBondContact O-N 2.89Å
207	S	97.9	Very high	98.1	Very high	27 Å²	27	49.9 Å²	49.9	19%	0.189	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-51.6	-176.4	44.4	0	0	0	0	111.7	I171 M204 G209 L210 F211	I171-S207 WeakPolarHBondContact CG2-O 3.37Å; M204-S207 WeakPolarHBondContact CB-OG 3.46Å; S207-G209 VanDerWaalsContact C-N 3.33Å; S207-L210 PolarHBondContact O-N 2.65Å; S207-F211 PolarHBondContact O-N 3.01Å; S207-F211 VanDerWaalsContact O-N 3.17Å
208	D	98.4	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-74.8	-28	176.1	-70.2	22.5	0	0	0	111.8	K169 H199 K200 A201 M204 L210 F211 L212 Y255	K169-D208 IonicContact NZ-OD1 2.73Å; K169-D208 PolarHBondContact NZ-OD1 3.48Å; H199-D208 HydrophobicContact CB-CB 4.26Å; K200-D208 WeakPolarHBondContact CA-OD2 3.25Å; K200-D208 PolarHBondContact N-OD2 2.85Å; A201-D208 HydrophobicContact CB-CB 3.84Å; M204-D208 HydrophobicContact CB-CB 4.2Å; M204-D208 WeakPolarHBondContact O-CB 3.36Å; M204-D208 PolarHBondContact O-N 2.75Å; M204-D208 VanDerWaalsContact O-N 3.08Å; D208-L210 VanDerWaalsContact C-N 3.32Å; D208-L210 PolarHBondContact O-N 3.03Å; D208-F211 PolarHBondContact O-N 2.93Å; D208-L212 WeakPolarHBondContact O-CB 3.49Å; D208-L212 WeakPolarHBondContact O-CG 3.46Å; D208-L212 PolarHBondContact O-N 2.97Å; D208-Y255 PolarHBondContact OD1-OH 3.28Å; D208-Y255 WeakPolarHBondContact OD2-CE2 3.16Å; D208-Y255 PolarHBondContact OD2-OH 3.44Å; D208-Y255 VanDerWaalsContact OD2-OH 3.12Å
209	G	98.4	Very high	98.1	Very high	22 Å²	22	50.8 Å²	50.8	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-45	170.9	0	0	0	0	0	112	R205 M206 S207 Q213	R205-G209 VanDerWaalsContact O-CA 3.26Å; R205-G209 WeakPolarHBondContact O-CA 3.49Å; R205-G209 PolarHBondContact O-N 2.91Å; M206-G209 PolarHBondContact O-N 3.39Å; S207-G209 VanDerWaalsContact C-N 3.33Å; G209-Q213 WeakPolarHBondContact O-CB 3.34Å; G209-Q213 PolarHBondContact O-N 3.41Å
210	L	98.7	Very high	98	Very high	47 Å²	47	56 Å²	56	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-45.3	175.3	178.6	60.2	0	0	0	111.7	I171 E173 M206 S207 D208 L212 Q213 K214	I171-L210 HydrophobicContact CG2-CD2 4.36Å; E173-L210 HydrophobicContact CB-CD1 4.47Å; M206-L210 WeakPolarHBondContact O-CB 3.42Å; M206-L210 PolarHBondContact O-N 2.89Å; S207-L210 PolarHBondContact O-N 2.65Å; D208-L210 VanDerWaalsContact C-N 3.32Å; D208-L210 PolarHBondContact O-N 3.03Å; L210-L212 PolarHBondContact O-N 2.77Å; L210-Q213 WeakPolarHBondContact O-CB 3.47Å; L210-Q213 PolarHBondContact O-N 3.2Å; L210-K214 HydrophobicContact CD1-CG 4.39Å; L210-K214 WeakPolarHBondContact O-CG 3.15Å; L210-K214 PolarHBondContact O-N 2.69Å; L210-K214 VanDerWaalsContact O-N 3.08Å
211	F	98.8	Very high	98	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-49	176.8	177.3	-98.9	0	0	0	111.8	I171 I179 A197 S207 D208 K214 C215 V250 P252	I171-F211 HydrophobicContact CG2-CB 4.31Å; I179-F211 HydrophobicContact CG2-CE2 3.83Å; A197-F211 HydrophobicContact CB-CE1 4.31Å; S207-F211 PolarHBondContact O-N 3.01Å; S207-F211 VanDerWaalsContact O-N 3.17Å; D208-F211 PolarHBondContact O-N 2.93Å; F211-K214 PolarHBondContact O-N 3.28Å; F211-C215 PolarHBondContact O-N 2.75Å; F211-C215 PolarHBondContact O-SG 2.85Å; F211-V250 HydrophobicContact CZ-CG2 4.31Å; F211-P252 HydrophobicContact CD1-CG 4.11Å; F211-P252 HydrophobicContact CD2-CG 4.07Å; F211-P252 HydrophobicContact CE1-CG 4.28Å; F211-P252 HydrophobicContact CE2-CG 4.23Å; F211-P252 HydrophobicContact CG-CG 4.01Å; F211-P252 HydrophobicContact CZ-CG 4.34Å
212	L	98.7	Very high	98	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-42.7	177.2	-74.2	-177	0	0	0	112.7	A197 H199 A201 D208 L210 K214 C215 R216 E229	A197-L212 HydrophobicContact CB-CD2 3.86Å; H199-L212 HydrophobicContact CB-CD1 4.34Å; H199-L212 HydrophobicContact CB-CD2 4.03Å; H199-L212 HydrophobicContact CB-CG 4.14Å; H199-L212 WeakPolarHBondContact ND1-CD1 3.4Å; A201-L212 HydrophobicContact CB-CD1 3.95Å; D208-L212 WeakPolarHBondContact O-CB 3.49Å; D208-L212 WeakPolarHBondContact O-CG 3.46Å; D208-L212 PolarHBondContact O-N 2.97Å; L210-L212 PolarHBondContact O-N 2.77Å; L212-K214 VanDerWaalsContact C-N 3.26Å; L212-K214 PolarHBondContact O-N 2.77Å; L212-C215 PolarHBondContact O-N 2.81Å; L212-R216 WeakPolarHBondContact O-CG 3.46Å; L212-R216 PolarHBondContact O-N 3.07Å; L212-E229 HydrophobicContact CD2-CB 4.34Å; L212-E229 HydrophobicContact CD2-CG 3.86Å
213	Q	98.6	Very high	97.9	Very high	90 Å²	90	65 Å²	65	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-54.6	-47.1	176.8	-177.2	-170.7	-23	0	0	110.4	G209 L210 R216 E217	G209-Q213 WeakPolarHBondContact O-CB 3.34Å; G209-Q213 PolarHBondContact O-N 3.41Å; L210-Q213 WeakPolarHBondContact O-CB 3.47Å; L210-Q213 PolarHBondContact O-N 3.2Å; Q213-R216 PolarHBondContact O-N 2.82Å; Q213-E217 WeakPolarHBondContact CG-OE1 2.95Å; Q213-E217 PolarHBondContact NE2-OE1 2.86Å; Q213-E217 WeakPolarHBondContact O-CG 3.36Å; Q213-E217 PolarHBondContact O-N 2.8Å
214	K	98.7	Very high	97.8	Very high	11 Å²	11	64.1 Å²	64.1	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-34.8	179.3	-60.8	-63.5	151.5	-172.7	0	113	E173 K177 L210 F211 L212 E217 V218	E173-K214 VanDerWaalsContact CD-CE 3.5Å; E173-K214 VanDerWaalsContact CD-NZ 3.33Å; E173-K214 HydrophobicContact CG-CD 3.8Å; E173-K214 HydrophobicContact CG-CG 4.4Å; E173-K214 WeakPolarHBondContact OE1-CE 3.41Å; E173-K214 IonicContact OE1-NZ 3.2Å; E173-K214 PolarHBondContact OE1-NZ 3.23Å; K177-K214 HydrophobicContact CB-CB 4.36Å; K177-K214 HydrophobicContact CB-CD 4.46Å; L210-K214 HydrophobicContact CD1-CG 4.39Å; L210-K214 WeakPolarHBondContact O-CG 3.15Å; L210-K214 PolarHBondContact O-N 2.69Å; L210-K214 VanDerWaalsContact O-N 3.08Å; F211-K214 PolarHBondContact O-N 3.28Å; L212-K214 VanDerWaalsContact C-N 3.26Å; L212-K214 PolarHBondContact O-N 2.77Å; K214-E217 WeakPolarHBondContact CD-OE2 3.44Å; K214-E217 VanDerWaalsContact NZ-CD 3.28Å; K214-E217 IonicContact NZ-OE1 2.69Å; K214-E217 PolarHBondContact NZ-OE1 3.06Å; K214-E217 IonicContact NZ-OE2 2.93Å; K214-E217 PolarHBondContact NZ-OE2 3.33Å; K214-E217 PolarHBondContact O-N 3.05Å; K214-V218 WeakPolarHBondContact O-CG2 3.37Å; K214-V218 PolarHBondContact O-N 2.88Å; K214-V218 VanDerWaalsContact O-N 3.12Å
215	C	98.8	Very high	97.9	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-43.4	171.3	-66.6	0	0	0	0	112.1	A180 A197 F211 L212 V218 A219 F227	A180-C215 HydrophobicContact CB-CB 4.47Å; A197-C215 HydrophobicContact CB-CB 4.14Å; F211-C215 PolarHBondContact O-N 2.75Å; F211-C215 PolarHBondContact O-SG 2.85Å; L212-C215 PolarHBondContact O-N 2.81Å; C215-V218 PolarHBondContact O-N 2.89Å; C215-A219 WeakPolarHBondContact O-CB 3.45Å; C215-A219 PolarHBondContact O-N 3.17Å; C215-F227 HydrophobicContact CB-CE2 3.97Å; C215-F227 HydrophobicContact CB-CZ 3.72Å
216	R	98.7	Very high	98	Very high	109 Å²	109	59.8 Å²	59.8	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-46.9	176.4	-69.3	168.5	-172.4	145.6	6.5	112.1	L212 Q213 V218 A219 E220 F227 E229	L212-R216 WeakPolarHBondContact O-CG 3.46Å; L212-R216 PolarHBondContact O-N 3.07Å; Q213-R216 PolarHBondContact O-N 2.82Å; R216-V218 VanDerWaalsContact C-N 3.27Å; R216-V218 PolarHBondContact O-N 2.83Å; R216-A219 WeakPolarHBondContact O-CB 3.29Å; R216-A219 PolarHBondContact O-N 3.41Å; R216-A219 VanDerWaalsContact O-N 3.14Å; R216-E220 WeakPolarHBondContact O-CG 3.36Å; R216-E220 PolarHBondContact O-N 2.66Å; R216-F227 HydrophobicContact CG-CE1 3.83Å; R216-F227 HydrophobicContact CG-CZ 4.46Å; R216-E229 VanDerWaalsContact CG-OE1 3.31Å; R216-E229 WeakPolarHBondContact CG-OE1 3.27Å; R216-E229 IonicContact CZ-OE1 3.7Å; R216-E229 VanDerWaalsContact CZ-OE1 3.31Å; R216-E229 IonicContact CZ-OE2 3.4Å; R216-E229 IonicContact NE-OE1 3.73Å; R216-E229 PolarHBondContact NE-OE1 2.91Å; R216-E229 IonicContact NE-OE2 3.93Å; R216-E229 VanDerWaalsContact NH2-CD 3.34Å; R216-E229 IonicContact NH2-OE1 3.84Å; R216-E229 PolarHBondContact NH2-OE1 3.44Å; R216-E229 IonicContact NH2-OE2 3.08Å; R216-E229 PolarHBondContact NH2-OE2 3.08Å
217	E	98.5	Very high	98	Very high	58 Å²	58	54 Å²	54	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-57.3	-40.2	177.6	-73.5	173.2	-155.2	0	0	111.7	Q213 K214 N221	Q213-E217 WeakPolarHBondContact CG-OE1 2.95Å; Q213-E217 PolarHBondContact NE2-OE1 2.86Å; Q213-E217 WeakPolarHBondContact O-CG 3.36Å; Q213-E217 PolarHBondContact O-N 2.8Å; K214-E217 WeakPolarHBondContact CD-OE2 3.44Å; K214-E217 VanDerWaalsContact NZ-CD 3.28Å; K214-E217 IonicContact NZ-OE1 2.69Å; K214-E217 PolarHBondContact NZ-OE1 3.06Å; K214-E217 IonicContact NZ-OE2 2.93Å; K214-E217 PolarHBondContact NZ-OE2 3.33Å; K214-E217 PolarHBondContact O-N 3.05Å; E217-N221 PolarHBondContact O-ND2 2.89Å
218	V	98.5	Very high	98	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-71.2	-42.5	175.4	175.9	0	0	0	0	111.5	K177 A180 E181 F184 K214 C215 R216 E220 N221 C222	K177-V218 HydrophobicContact CG-CG2 4.31Å; A180-V218 HydrophobicContact CB-CB 4.06Å; A180-V218 HydrophobicContact CB-CG1 4.38Å; A180-V218 HydrophobicContact CB-CG2 3.87Å; E181-V218 HydrophobicContact CG-CG1 4.03Å; E181-V218 HydrophobicContact CG-CG2 3.66Å; F184-V218 HydrophobicContact CB-CG1 4.32Å; F184-V218 HydrophobicContact CD2-CB 4.34Å; F184-V218 HydrophobicContact CD2-CG1 3.53Å; F184-V218 HydrophobicContact CE2-CG1 4.14Å; F184-V218 HydrophobicContact CG-CG1 4.13Å; K214-V218 WeakPolarHBondContact O-CG2 3.37Å; K214-V218 PolarHBondContact O-N 2.88Å; K214-V218 VanDerWaalsContact O-N 3.12Å; C215-V218 PolarHBondContact O-N 2.89Å; R216-V218 VanDerWaalsContact C-N 3.27Å; R216-V218 PolarHBondContact O-N 2.83Å; V218-E220 PolarHBondContact O-N 3.31Å; V218-N221 PolarHBondContact O-N 3.13Å; V218-C222 PolarHBondContact O-N 3.08Å
219	A	98.4	Very high	98	Very high	10 Å²	10	57.6 Å²	57.6	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-31.6	176.9	0	0	0	0	0	112.5	F184 C215 R216 N221 C222 F227	F184-A219 HydrophobicContact CE1-CB 4.19Å; F184-A219 HydrophobicContact CE2-CB 4.03Å; F184-A219 HydrophobicContact CZ-CB 3.47Å; F184-A219 VanDerWaalsContact CZ-CB 3.47Å; C215-A219 WeakPolarHBondContact O-CB 3.45Å; C215-A219 PolarHBondContact O-N 3.17Å; R216-A219 WeakPolarHBondContact O-CB 3.29Å; R216-A219 PolarHBondContact O-N 3.41Å; R216-A219 VanDerWaalsContact O-N 3.14Å; A219-N221 PolarHBondContact O-N 3.28Å; A219-C222 CarbonylContact O-C 3.54Å; A219-C222 PolarHBondContact O-N 2.8Å; A219-C222 VanDerWaalsContact O-N 3.16Å; A219-F227 HydrophobicContact CB-CB 3.74Å; A219-F227 HydrophobicContact CB-CD1 3.67Å; A219-F227 HydrophobicContact CB-CD2 4.14Å; A219-F227 HydrophobicContact CB-CE1 4.33Å; A219-F227 HydrophobicContact CB-CG 3.56Å
220	E	97.9	Very high	98	Very high	122 Å²	122	58.1 Å²	58.1	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-29.9	173.2	-75.8	174.5	-176.2	0	0	113.4	R216 V218 K223	R216-E220 WeakPolarHBondContact O-CG 3.36Å; R216-E220 PolarHBondContact O-N 2.66Å; V218-E220 PolarHBondContact O-N 3.31Å; E220-K223 WeakPolarHBondContact O-CE 2.81Å
221	N	96.7	Very high	98	Very high	138 Å²	138	60.6 Å²	60.6	74%	0.738	28%	0.283	S	S	*	.	H	α-helix	trans	-91.9	-6.5	178.3	-63.7	-61.5	0	0	0	113.3	E217 V218 A219	E217-N221 PolarHBondContact O-ND2 2.89Å; V218-N221 PolarHBondContact O-N 3.13Å; A219-N221 PolarHBondContact O-N 3.28Å
222	C	96.5	Very high	97.9	Very high	13 Å²	13	61.9 Å²	61.9	9%	0.088	29%	0.289	C	S	.	.			trans	-125.1	56.5	-175.9	-60.4	0	0	0	0	111.6	F184 R188 V218 A219 D224 I225	F184-C222 HydrophobicContact CB-CB 4.18Å; F184-C222 HydrophobicContact CD1-CB 3.45Å; F184-C222 VanDerWaalsContact CD1-CB 3.45Å; F184-C222 HydrophobicContact CE1-CB 4.03Å; F184-C222 HydrophobicContact CG-CB 3.95Å; R188-C222 PolarHBondContact NH2-SG 3.01Å; R188-C222 VanDerWaalsContact NH2-SG 3.36Å; V218-C222 PolarHBondContact O-N 3.08Å; A219-C222 CarbonylContact O-C 3.54Å; A219-C222 PolarHBondContact O-N 2.8Å; A219-C222 VanDerWaalsContact O-N 3.16Å; C222-D224 VanDerWaalsContact C-OD1 3.29Å; C222-D224 PolarHBondContact O-N 3.12Å; C222-D224 VanDerWaalsContact O-N 3.14Å; C222-I225 PolarHBondContact O-N 3.1Å; C222-I225 VanDerWaalsContact O-N 3.13Å
223	K	94.6	Very high	97.9	Very high	161 Å²	161	65.6 Å²	65.6	70%	0.7	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.5	-175.4	-60.7	-56.2	-168.3	-173.2	0	114.7	E220	E220-K223 WeakPolarHBondContact O-CE 2.81Å
224	D	96	Very high	97.9	Very high	104 Å²	104	63.6 Å²	63.6	56%	0.556	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.6	173.9	57.3	-45.5	0	0	0	113.2	R188 C222	R188-D224 IonicContact CZ-OD1 2.81Å; R188-D224 IonicContact CZ-OD2 2.64Å; R188-D224 IonicContact NE-OD1 3.22Å; R188-D224 IonicContact NE-OD2 2.68Å; R188-D224 PolarHBondContact NE-OD2 2.85Å; R188-D224 IonicContact NH2-OD1 3.31Å; R188-D224 PolarHBondContact NH2-OD1 3.08Å; R188-D224 IonicContact NH2-OD2 3.58Å; R188-D224 PolarHBondContact NH2-OD2 2.83Å; C222-D224 VanDerWaalsContact C-OD1 3.29Å; C222-D224 PolarHBondContact O-N 3.12Å; C222-D224 VanDerWaalsContact O-N 3.14Å
225	I	98.2	Very high	97.9	Very high	10 Å²	10	63 Å²	63	5%	0.051	30%	0.301	C	S	.	.	S	Bend	trans	-117.3	131	-178.7	-62.4	159.2	0	0	0	109.5	F184 A187 R188 V195 C222 F227	F184-I225 HydrophobicContact CB-CD1 4.39Å; F184-I225 HydrophobicContact CD1-CB 3.93Å; F184-I225 HydrophobicContact CD1-CD1 3.86Å; F184-I225 HydrophobicContact CD1-CG2 4Å; F184-I225 HydrophobicContact CE1-CB 4.05Å; F184-I225 HydrophobicContact CE1-CG2 3.96Å; F184-I225 WeakPolarHBondContact O-CD1 3.28Å; A187-I225 HydrophobicContact CB-CD1 3.83Å; A187-I225 HydrophobicContact CB-CG1 4.5Å; A187-I225 HydrophobicContact CB-CG2 4.41Å; R188-I225 HydrophobicContact CB-CD1 4.1Å; V195-I225 HydrophobicContact CB-CG2 4.41Å; V195-I225 HydrophobicContact CG2-CG2 3.81Å; C222-I225 PolarHBondContact O-N 3.1Å; C222-I225 VanDerWaalsContact O-N 3.13Å; I225-F227 PolarHBondContact O-N 2.75Å
226	K	98.3	Very high	97.9	Very high	146 Å²	146	64.6 Å²	64.6	64%	0.635	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.4	175	-175.9	-177.2	171.8	-171.9	0	109.4	S193 N194 V195	S193-K226 WeakPolarHBondContact O-CB 3.41Å; S193-K226 PolarHBondContact O-N 2.74Å; N194-K226 CarbonylContact C-O 3.59Å; N194-K226 WeakPolarHBondContact CA-O 3.42Å; N194-K226 HydrophobicContact CB-CB 4.4Å; N194-K226 WeakPolarHBondContact OD1-CB 3.44Å; N194-K226 WeakPolarHBondContact OD1-CD 3.35Å; N194-K226 WeakPolarHBondContact OD1-CG 3.3Å; N194-K226 PolarHBondContact OD1-O 2.95Å; V195-K226 PolarHBondContact N-O 2.79Å
227	F	98.6	Very high	97.8	Very high	50 Å²	50	64 Å²	64	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.3	177.3	177.6	-113.1	0	0	0	110.7	F184 V195 A197 C215 R216 A219 I225 E229	F184-F227 HydrophobicContact CE1-CB 4.42Å; F184-F227 HydrophobicContact CE2-CD2 4.2Å; F184-F227 HydrophobicContact CZ-CB 3.99Å; F184-F227 AromaticContact CZ-CD2 3.61Å; F184-F227 HydrophobicContact CZ-CD2 3.61Å; F184-F227 HydrophobicContact CZ-CE2 4.42Å; F184-F227 HydrophobicContact CZ-CG 4.02Å; V195-F227 WeakPolarHBondContact O-CA 3.15Å; V195-F227 WeakPolarHBondContact O-CD2 3.05Å; A197-F227 HydrophobicContact CB-CE2 3.72Å; A197-F227 HydrophobicContact CB-CZ 3.88Å; C215-F227 HydrophobicContact CB-CE2 3.97Å; C215-F227 HydrophobicContact CB-CZ 3.72Å; R216-F227 HydrophobicContact CG-CE1 3.83Å; R216-F227 HydrophobicContact CG-CZ 4.46Å; A219-F227 HydrophobicContact CB-CB 3.74Å; A219-F227 HydrophobicContact CB-CD1 3.67Å; A219-F227 HydrophobicContact CB-CD2 4.14Å; A219-F227 HydrophobicContact CB-CE1 4.33Å; A219-F227 HydrophobicContact CB-CG 3.56Å; I225-F227 PolarHBondContact O-N 2.75Å; F227-E229 HydrophobicContact CE1-CG 3.88Å; F227-E229 WeakPolarHBondContact CE1-OE1 3.39Å; F227-E229 HydrophobicContact CZ-CG 3.76Å
228	N	98	Very high	97.8	Very high	38 Å²	38	63 Å²	63	20%	0.203	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	165.1	171.1	64.2	-86.9	0	0	0	111.4	N194 V195 T196 A197	N194-N228 PolarHBondContact ND2-OD1 3.3Å; N194-N228 PolarHBondContact OD1-OD1 3.35Å; V195-N228 PolarHBondContact O-N 2.89Å; V195-N228 VanDerWaalsContact O-N 3.12Å; T196-N228 CarbonylContact C-O 3.58Å; T196-N228 VanDerWaalsContact CA-O 3.25Å; T196-N228 WeakPolarHBondContact CA-O 3.23Å; T196-N228 WeakPolarHBondContact CB-ND2 3.49Å; T196-N228 WeakPolarHBondContact CG2-ND2 3.46Å; T196-N228 VanDerWaalsContact OG1-CG 3.32Å; T196-N228 PolarHBondContact OG1-ND2 3.14Å; T196-N228 PolarHBondContact OG1-OD1 3.17Å; T196-N228 VanDerWaalsContact OG1-OD1 3.06Å; A197-N228 PolarHBondContact N-O 3.39Å
229	E	98.4	Very high	97.7	Very high	63 Å²	63	62.6 Å²	62.6	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.3	-179.4	-62.3	171.1	-163.8	0	0	108.7	A197 L212 R216 F227	A197-E229 HydrophobicContact CB-CG 4.4Å; A197-E229 WeakPolarHBondContact O-CA 3.42Å; L212-E229 HydrophobicContact CD2-CB 4.34Å; L212-E229 HydrophobicContact CD2-CG 3.86Å; R216-E229 VanDerWaalsContact CG-OE1 3.31Å; R216-E229 WeakPolarHBondContact CG-OE1 3.27Å; R216-E229 IonicContact CZ-OE1 3.7Å; R216-E229 VanDerWaalsContact CZ-OE1 3.31Å; R216-E229 IonicContact CZ-OE2 3.4Å; R216-E229 IonicContact NE-OE1 3.73Å; R216-E229 PolarHBondContact NE-OE1 2.91Å; R216-E229 IonicContact NE-OE2 3.93Å; R216-E229 VanDerWaalsContact NH2-CD 3.34Å; R216-E229 IonicContact NH2-OE1 3.84Å; R216-E229 PolarHBondContact NH2-OE1 3.44Å; R216-E229 IonicContact NH2-OE2 3.08Å; R216-E229 PolarHBondContact NH2-OE2 3.08Å; F227-E229 HydrophobicContact CE1-CG 3.88Å; F227-E229 WeakPolarHBondContact CE1-OE1 3.39Å; F227-E229 HydrophobicContact CZ-CG 3.76Å
230	M	98.5	Very high	97.6	Very high	33 Å²	33	65.3 Å²	65.3	16%	0.163	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	141.9	-178.8	-158	175.9	-48.4	0	0	111.7	T196 A197 V198 H199 T234 V235 F246	T196-M230 HydrophobicContact CG2-CB 3.87Å; T196-M230 HydrophobicContact CG2-CE 4.29Å; A197-M230 PolarHBondContact O-N 2.96Å; V198-M230 WeakPolarHBondContact CA-O 3.23Å; H199-M230 PolarHBondContact CD2-O 3.37Å; H199-M230 PolarHBondContact N-O 3.13Å; H199-M230 VanDerWaalsContact N-O 3.08Å; M230-T234 HydrophobicContact CG-CG2 4.01Å; M230-T234 HydrophobicContact SD-CG2 4.06Å; M230-V235 HydrophobicContact CB-CG2 3.64Å; M230-V235 HydrophobicContact CG-CG2 3.65Å; M230-V235 HydrophobicContact SD-CB 4.44Å; M230-V235 HydrophobicContact SD-CG2 3.59Å; M230-V235 VanDerWaalsContact SD-CG2 3.59Å; M230-F246 HydrophobicContact CE-CE1 3.65Å; M230-F246 HydrophobicContact CE-CZ 4.31Å; M230-F246 HydrophobicContact SD-CE1 3.8Å; M230-F246 HydrophobicContact SD-CZ 4.03Å
231	Y	98.4	Very high	97.5	Very high	100 Å²	100	66 Å²	66	39%	0.392	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.8	175.5	-59.9	-47.8	0	0	0	111.3	H199 N202 D233 T234 V235	H199-Y231 AromaticContact CE1-CD1 3.36Å; H199-Y231 WeakPolarHBondContact CE1-CD1 3.42Å; H199-Y231 AromaticContact CE1-CE1 3.27Å; H199-Y231 WeakPolarHBondContact CE1-CE1 3.43Å; H199-Y231 AromaticContact ND1-CD1 3.82Å; H199-Y231 AromaticContact ND1-CE1 3.92Å; H199-Y231 AromaticContact NE2-CD1 3.81Å; H199-Y231 CarbonylContact O-C 3.53Å; H199-Y231 WeakPolarHBondContact O-CA 3.44Å; N202-Y231 HydrophobicContact CB-CE1 4.27Å; Y231-D233 VanDerWaalsContact C-N 3.31Å; Y231-D233 VanDerWaalsContact CB-OD1 3.23Å; Y231-D233 WeakPolarHBondContact CB-OD1 3.18Å; Y231-D233 PolarHBondContact O-N 3.39Å; Y231-T234 CarbonylContact O-C 3.6Å; Y231-T234 WeakPolarHBondContact O-CA 3.4Å; Y231-T234 WeakPolarHBondContact O-CB 3.44Å; Y231-T234 PolarHBondContact O-N 3.36Å; Y231-V235 WeakPolarHBondContact O-CG2 3.44Å; Y231-V235 PolarHBondContact O-N 2.98Å
232	L	98.2	Very high	97.5	Very high	28 Å²	28	62.9 Å²	62.9	15%	0.147	31%	0.312	C	S	.	.	H	α-helix	trans	-50.8	-48.1	-178.4	173.8	62.8	0	0	0	112.9	V198 H199 V235 C236 Y255 L259	V198-L232 HydrophobicContact CG1-CB 4.06Å; V198-L232 HydrophobicContact CG1-CD1 3.95Å; H199-L232 PolarHBondContact O-N 3.2Å; L232-V235 PolarHBondContact O-N 3.28Å; L232-C236 PolarHBondContact O-N 3.19Å; L232-C236 PolarHBondContact O-SG 2.99Å; L232-C236 VanDerWaalsContact O-SG 3.35Å; L232-Y255 HydrophobicContact CD1-CG 4.33Å; L232-Y255 HydrophobicContact CD2-CD1 3.6Å; L232-Y255 HydrophobicContact CD2-CE1 4.06Å; L232-Y255 HydrophobicContact CD2-CG 4.03Å; L232-L259 HydrophobicContact CD1-CD1 3.81Å; L232-L259 HydrophobicContact CD1-CD2 4.42Å; L232-L259 HydrophobicContact CD1-CG 3.9Å
233	D	97.8	Very high	97.5	Very high	83 Å²	83	62.6 Å²	62.6	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.8	52.3	-30.6	0	0	0	112.6	K200 Y231 V235 C236 L237	K200-D233 IonicContact NZ-OD1 3.38Å; K200-D233 PolarHBondContact NZ-OD1 2.87Å; K200-D233 IonicContact NZ-OD2 3.9Å; K200-D233 PolarHBondContact NZ-OD2 3Å; Y231-D233 VanDerWaalsContact C-N 3.31Å; Y231-D233 VanDerWaalsContact CB-OD1 3.23Å; Y231-D233 WeakPolarHBondContact CB-OD1 3.18Å; Y231-D233 PolarHBondContact O-N 3.39Å; D233-V235 VanDerWaalsContact C-N 3.35Å; D233-C236 PolarHBondContact O-N 3.39Å; D233-L237 WeakPolarHBondContact O-CB 3.37Å; D233-L237 PolarHBondContact O-N 3Å
234	T	98.2	Very high	97.6	Very high	48 Å²	48	58.7 Å²	58.7	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-40.2	173.3	-53.9	0	0	0	0	111.4	M230 Y231 L237 N238	M230-T234 HydrophobicContact CG-CG2 4.01Å; M230-T234 HydrophobicContact SD-CG2 4.06Å; Y231-T234 CarbonylContact O-C 3.6Å; Y231-T234 WeakPolarHBondContact O-CA 3.4Å; Y231-T234 WeakPolarHBondContact O-CB 3.44Å; Y231-T234 PolarHBondContact O-N 3.36Å; T234-L237 PolarHBondContact O-N 2.8Å; T234-N238 VanDerWaalsContact O-CB 3.25Å; T234-N238 WeakPolarHBondContact O-CB 3.3Å; T234-N238 VanDerWaalsContact O-CG 3.27Å; T234-N238 PolarHBondContact O-N 2.96Å; T234-N238 PolarHBondContact O-OD1 2.79Å
235	V	98.4	Very high	97.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-50.6	174.2	176.3	0	0	0	0	109.9	V198 M230 Y231 L232 D233 L237 N238 M239 F246 L249 L259	V198-V235 HydrophobicContact CG1-CB 4.44Å; V198-V235 HydrophobicContact CG1-CG2 3.97Å; V198-V235 HydrophobicContact CG2-CG2 4.06Å; M230-V235 HydrophobicContact CB-CG2 3.64Å; M230-V235 HydrophobicContact CG-CG2 3.65Å; M230-V235 HydrophobicContact SD-CB 4.44Å; M230-V235 HydrophobicContact SD-CG2 3.59Å; M230-V235 VanDerWaalsContact SD-CG2 3.59Å; Y231-V235 WeakPolarHBondContact O-CG2 3.44Å; Y231-V235 PolarHBondContact O-N 2.98Å; L232-V235 PolarHBondContact O-N 3.28Å; D233-V235 VanDerWaalsContact C-N 3.35Å; V235-L237 PolarHBondContact O-N 3.02Å; V235-N238 PolarHBondContact O-N 2.87Å; V235-M239 HydrophobicContact CG1-CE 3.63Å; V235-M239 WeakPolarHBondContact O-CB 3.4Å; V235-M239 PolarHBondContact O-N 3.33Å; V235-F246 HydrophobicContact CG1-CE1 4.19Å; V235-F246 HydrophobicContact CG1-CZ 4.2Å; V235-F246 HydrophobicContact CG2-CE1 4.41Å; V235-L249 HydrophobicContact CG1-CD1 4.29Å; V235-L259 HydrophobicContact CB-CD1 4.45Å; V235-L259 HydrophobicContact CG1-CD1 3.8Å; V235-L259 HydrophobicContact CG1-CD2 3.78Å; V235-L259 HydrophobicContact CG1-CG 4.49Å
236	C	98.3	Very high	97.5	Very high	33 Å²	33	57.8 Å²	57.8	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-46.9	178	-68.2	0	0	0	0	112.2	L232 D233 V240 L262	L232-C236 PolarHBondContact O-N 3.19Å; L232-C236 PolarHBondContact O-SG 2.99Å; L232-C236 VanDerWaalsContact O-SG 3.35Å; D233-C236 PolarHBondContact O-N 3.39Å; C236-V240 WeakPolarHBondContact O-CG2 3.34Å; C236-V240 PolarHBondContact O-N 3.29Å; C236-L262 HydrophobicContact CB-CD1 4.15Å
237	L	98.2	Very high	97.5	Very high	97 Å²	97	52 Å²	52	51%	0.508	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-52.8	178.9	175	65.7	0	0	0	111.6	D233 T234 V235 M239 V240 Q241	D233-L237 WeakPolarHBondContact O-CB 3.37Å; D233-L237 PolarHBondContact O-N 3Å; T234-L237 PolarHBondContact O-N 2.8Å; V235-L237 PolarHBondContact O-N 3.02Å; L237-M239 VanDerWaalsContact C-N 3.31Å; L237-M239 PolarHBondContact O-N 2.81Å; L237-V240 VanDerWaalsContact O-CG2 3.26Å; L237-V240 WeakPolarHBondContact O-CG2 3.37Å; L237-Q241 WeakPolarHBondContact O-CG 3.45Å; L237-Q241 PolarHBondContact O-N 3.3Å
238	N	97.9	Very high	97.5	Very high	38 Å²	38	49.7 Å²	49.7	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-68.5	-34.3	-175.8	-74.5	15.2	0	0	0	111.4	T234 V235 Q241 D242 Q245 F246	T234-N238 VanDerWaalsContact O-CB 3.25Å; T234-N238 WeakPolarHBondContact O-CB 3.3Å; T234-N238 VanDerWaalsContact O-CG 3.27Å; T234-N238 PolarHBondContact O-N 2.96Å; T234-N238 PolarHBondContact O-OD1 2.79Å; V235-N238 PolarHBondContact O-N 2.87Å; N238-Q241 PolarHBondContact O-N 3.38Å; N238-Q241 VanDerWaalsContact O-N 3.17Å; N238-D242 CarbonylContact O-C 3.42Å; N238-D242 PolarHBondContact O-N 3.45Å; N238-Q245 PolarHBondContact ND2-OE1 2.69Å; N238-Q245 PolarHBondContact O-NE2 2.86Å; N238-F246 HydrophobicContact CB-CE2 4.07Å; N238-F246 HydrophobicContact CB-CZ 3.85Å
239	M	97	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-34.7	-176.4	-173.3	177	-68.3	0	0	113.1	I142 V235 L237 Q241 P243 F246 L249 L259 L262 C263 L266	I142-M239 HydrophobicContact CD1-CE 4.19Å; I142-M239 HydrophobicContact CD1-CG 4.26Å; I142-M239 HydrophobicContact CD1-SD 4.28Å; V235-M239 HydrophobicContact CG1-CE 3.63Å; V235-M239 WeakPolarHBondContact O-CB 3.4Å; V235-M239 PolarHBondContact O-N 3.33Å; L237-M239 VanDerWaalsContact C-N 3.31Å; L237-M239 PolarHBondContact O-N 2.81Å; M239-Q241 VanDerWaalsContact C-N 3.27Å; M239-P243 HydrophobicContact CG-CB 4.36Å; M239-P243 WeakPolarHBondContact O-CD 3.28Å; M239-F246 HydrophobicContact CB-CD2 4.15Å; M239-F246 HydrophobicContact CB-CE2 3.72Å; M239-F246 HydrophobicContact CE-CD2 4.01Å; M239-F246 HydrophobicContact CE-CE2 4.32Å; M239-F246 HydrophobicContact CE-CG 4.22Å; M239-F246 HydrophobicContact CG-CD2 4.25Å; M239-F246 HydrophobicContact CG-CE2 4.32Å; M239-L249 HydrophobicContact CE-CD1 3.4Å; M239-L259 HydrophobicContact CE-CD2 4.35Å; M239-L259 HydrophobicContact SD-CD2 4.41Å; M239-L262 HydrophobicContact CB-CD2 4.47Å; M239-L262 HydrophobicContact CG-CD2 3.9Å; M239-L262 HydrophobicContact SD-CD2 3.47Å; M239-L262 WeakPolarHBondContact SD-CD2 3.28Å; M239-C263 PolarHBondContact SD-SG 2.88Å; M239-L266 HydrophobicContact CG-CD1 3.75Å; M239-L266 HydrophobicContact SD-CD1 4.08Å
240	V	96	Very high	97.6	Very high	66 Å²	66	44.9 Å²	44.9	40%	0.4	24%	0.237	S	C	.	.	H	α-helix	trans	-78	-14.4	173	-58.7	0	0	0	0	112.8	Y137 C236 L237 L262	Y137-V240 WeakPolarHBondContact CE1-O 3.44Å; Y137-V240 PolarHBondContact OH-O 3.47Å; Y137-V240 VanDerWaalsContact OH-O 3.07Å; C236-V240 WeakPolarHBondContact O-CG2 3.34Å; C236-V240 PolarHBondContact O-N 3.29Å; L237-V240 VanDerWaalsContact O-CG2 3.26Å; L237-V240 WeakPolarHBondContact O-CG2 3.37Å; V240-L262 HydrophobicContact CG1-CD1 4.44Å; V240-L262 HydrophobicContact CG1-CD2 4.32Å
241	Q	96.2	Very high	97.6	Very high	136 Å²	136	43.3 Å²	43.3	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-87.7	-49.5	175.1	-72.2	179.9	-38.1	0	0	111.7	L237 N238 M239	L237-Q241 WeakPolarHBondContact O-CG 3.45Å; L237-Q241 PolarHBondContact O-N 3.3Å; N238-Q241 PolarHBondContact O-N 3.38Å; N238-Q241 VanDerWaalsContact O-N 3.17Å; M239-Q241 VanDerWaalsContact C-N 3.27Å
242	D	96.5	Very high	97.6	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	21%	0.212	S	C	.	.			trans	-152	95.9	179.4	178.1	11.4	0	0	0	109.8	N238 S244 Q245	N238-D242 CarbonylContact O-C 3.42Å; N238-D242 PolarHBondContact O-N 3.45Å; D242-S244 VanDerWaalsContact CG-OG 3.31Å; D242-S244 PolarHBondContact O-N 2.71Å; D242-S244 VanDerWaalsContact OD1-CB 3.27Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 3Å; D242-S244 PolarHBondContact OD1-OG 2.94Å; D242-S244 PolarHBondContact OD2-OG 3.28Å; D242-Q245 WeakPolarHBondContact O-CG 3.49Å; D242-Q245 PolarHBondContact O-NE2 2.86Å
243	P	96.7	Very high	97.5	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.045	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-69.8	-16.8	178	26.8	-33.1	0	0	0	113.8	Y137 V140 I142 M239 Q245 F246 L266	Y137-P243 HydrophobicContact CD1-CG 3.74Å; Y137-P243 HydrophobicContact CE1-CG 4.4Å; Y137-P243 HydrophobicContact CG-CG 4.32Å; V140-P243 HydrophobicContact CG1-CB 4.4Å; V140-P243 HydrophobicContact CG2-CB 4.3Å; V140-P243 HydrophobicContact CG2-CG 3.8Å; I142-P243 HydrophobicContact CD1-CB 3.82Å; M239-P243 HydrophobicContact CG-CB 4.36Å; M239-P243 WeakPolarHBondContact O-CD 3.28Å; P243-Q245 PolarHBondContact O-N 2.87Å; P243-Q245 VanDerWaalsContact O-N 3.16Å; P243-F246 PolarHBondContact O-N 2.95Å; P243-F246 VanDerWaalsContact O-N 3.16Å; P243-L266 HydrophobicContact CB-CD1 3.86Å; P243-L266 HydrophobicContact CG-CD1 4.49Å
244	S	95.3	Very high	97.5	Very high	79 Å²	79	35.9 Å²	35.9	55%	0.552	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-67	-16.3	-176.5	76.5	0	0	0	0	113.6	D242 F246	D242-S244 VanDerWaalsContact CG-OG 3.31Å; D242-S244 PolarHBondContact O-N 2.71Å; D242-S244 VanDerWaalsContact OD1-CB 3.27Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 3Å; D242-S244 PolarHBondContact OD1-OG 2.94Å; D242-S244 PolarHBondContact OD2-OG 3.28Å; S244-F246 PolarHBondContact O-N 2.88Å
245	Q	95.3	Very high	97.5	Very high	85 Å²	85	34 Å²	34	40%	0.397	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-72.6	-12.6	175.9	77.8	-170.5	-89.1	0	0	113.9	N238 D242 P243	N238-Q245 PolarHBondContact ND2-OE1 2.69Å; N238-Q245 PolarHBondContact O-NE2 2.86Å; D242-Q245 WeakPolarHBondContact O-CG 3.49Å; D242-Q245 PolarHBondContact O-NE2 2.86Å; P243-Q245 PolarHBondContact O-N 2.87Å; P243-Q245 VanDerWaalsContact O-N 3.16Å
246	F	97.8	Very high	97.5	Very high	10 Å²	10	34 Å²	34	4%	0.044	18%	0.184	C	C	.	.			trans	-106.3	145.3	-175.3	-62	-73.4	0	0	0	112	I142 M230 V235 N238 M239 P243 S244 L249	I142-F246 HydrophobicContact CD1-CB 3.97Å; I142-F246 HydrophobicContact CG1-CB 4.01Å; I142-F246 HydrophobicContact CG2-CB 4.38Å; M230-F246 HydrophobicContact CE-CE1 3.65Å; M230-F246 HydrophobicContact CE-CZ 4.31Å; M230-F246 HydrophobicContact SD-CE1 3.8Å; M230-F246 HydrophobicContact SD-CZ 4.03Å; V235-F246 HydrophobicContact CG1-CE1 4.19Å; V235-F246 HydrophobicContact CG1-CZ 4.2Å; V235-F246 HydrophobicContact CG2-CE1 4.41Å; N238-F246 HydrophobicContact CB-CE2 4.07Å; N238-F246 HydrophobicContact CB-CZ 3.85Å; M239-F246 HydrophobicContact CB-CD2 4.15Å; M239-F246 HydrophobicContact CB-CE2 3.72Å; M239-F246 HydrophobicContact CE-CD2 4.01Å; M239-F246 HydrophobicContact CE-CE2 4.32Å; M239-F246 HydrophobicContact CE-CG 4.22Å; M239-F246 HydrophobicContact CG-CD2 4.25Å; M239-F246 HydrophobicContact CG-CE2 4.32Å; P243-F246 PolarHBondContact O-N 2.95Å; P243-F246 VanDerWaalsContact O-N 3.16Å; S244-F246 PolarHBondContact O-N 2.88Å; F246-L249 HydrophobicContact CB-CD2 4.37Å; F246-L249 HydrophobicContact CD1-CD2 3.77Å; F246-L249 HydrophobicContact CG-CD2 4.4Å
247	D	98.3	Very high	97.3	Very high	26 Å²	26	34.8 Å²	34.8	14%	0.139	19%	0.186	C	C	.	.			trans	-122.9	-99.2	177.9	-173.5	11.5	0	0	0	108.9	I142 V143 R192 S193 N194	I142-D247 WeakPolarHBondContact CA-O 3.37Å; V143-D247 PolarHBondContact N-O 3.34Å; R192-D247 WeakPolarHBondContact CB-OD2 3.38Å; R192-D247 VanDerWaalsContact CD-OD1 3.27Å; R192-D247 WeakPolarHBondContact CD-OD1 3.44Å; R192-D247 IonicContact CZ-OD1 2.69Å; R192-D247 IonicContact NE-OD1 3.53Å; R192-D247 IonicContact NH1-OD1 3.84Å; R192-D247 PolarHBondContact NH1-OD1 3.48Å; S193-D247 PolarHBondContact N-OD2 3.32Å; N194-D247 HydrophobicContact CB-CB 4.1Å; N194-D247 PolarHBondContact N-OD2 3.06Å
248	V	98.8	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.6	173.8	-179	0	0	0	0	110.3	V143 I145 Y186 A187 R192 N194 V195 T196	V143-V248 HydrophobicContact CB-CG2 4.45Å; V143-V248 WeakPolarHBondContact O-CA 3.39Å; I145-V248 HydrophobicContact CD1-CG1 3.61Å; I145-V248 HydrophobicContact CG1-CG1 4.17Å; Y186-V248 HydrophobicContact CD1-CG2 4.32Å; Y186-V248 HydrophobicContact CE1-CG2 4.45Å; A187-V248 HydrophobicContact CB-CG2 4.21Å; R192-V248 HydrophobicContact CB-CG2 3.75Å; R192-V248 HydrophobicContact CG-CG2 3.72Å; N194-V248 WeakPolarHBondContact O-CB 3.22Å; N194-V248 PolarHBondContact O-N 2.9Å; N194-V248 VanDerWaalsContact O-N 3.08Å; V195-V248 CarbonylContact C-O 3.34Å; V195-V248 WeakPolarHBondContact CA-O 3.21Å; V195-V248 HydrophobicContact CG2-CB 4.15Å; V195-V248 HydrophobicContact CG2-CG1 4.22Å; T196-V248 PolarHBondContact N-O 3.07Å
249	L	98.9	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.1	174.3	-55.7	-177.1	0	0	0	109.5	I142 V143 T144 I145 T196 V198 V235 M239 F246 M251	I142-L249 HydrophobicContact CG2-CD1 4.01Å; I142-L249 HydrophobicContact CG2-CG 4.16Å; V143-L249 PolarHBondContact O-N 3.5Å; T144-L249 HydrophobicContact CG2-CD1 4.37Å; I145-L249 PolarHBondContact N-O 3.1Å; T196-L249 HydrophobicContact CG2-CD2 4.1Å; T196-L249 CarbonylContact O-C 3.57Å; T196-L249 WeakPolarHBondContact O-CA 3.27Å; V198-L249 HydrophobicContact CG2-CB 4.29Å; V198-L249 HydrophobicContact CG2-CD2 4.46Å; V235-L249 HydrophobicContact CG1-CD1 4.29Å; M239-L249 HydrophobicContact CE-CD1 3.4Å; F246-L249 HydrophobicContact CB-CD2 4.37Å; F246-L249 HydrophobicContact CD1-CD2 3.77Å; F246-L249 HydrophobicContact CG-CD2 4.4Å; L249-M251 HydrophobicContact CB-CE 3.32Å; L249-M251 VanDerWaalsContact O-CE 3.28Å; L249-M251 WeakPolarHBondContact O-CE 3.19Å
250	V	98.9	Very high	97.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.7	174.6	66.1	0	0	0	0	110.6	I145 I179 A183 V195 T196 A197 V198 F211	I145-V250 HydrophobicContact CG2-CG2 4.39Å; I145-V250 WeakPolarHBondContact O-CA 3.26Å; I179-V250 HydrophobicContact CG1-CG2 4.03Å; I179-V250 HydrophobicContact CG2-CG2 4.4Å; A183-V250 HydrophobicContact CB-CB 3.73Å; A183-V250 HydrophobicContact CB-CG1 4.39Å; A183-V250 HydrophobicContact CB-CG2 3.69Å; V195-V250 HydrophobicContact CG1-CB 4.26Å; V195-V250 HydrophobicContact CG1-CG1 3.65Å; T196-V250 PolarHBondContact O-N 3.04Å; A197-V250 WeakPolarHBondContact CA-O 3.45Å; A197-V250 HydrophobicContact CB-CG1 4.11Å; V198-V250 PolarHBondContact N-O 3.32Å; F211-V250 HydrophobicContact CZ-CG2 4.31Å
251	M	98.7	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	159.1	-170.7	66.4	-152	92.5	0	0	115.1	T144 I145 E147 V198 L249 G256 L259	T144-M251 HydrophobicContact CG2-CE 4.11Å; I145-M251 PolarHBondContact O-N 3.5Å; E147-M251 PolarHBondContact N-O 2.89Å; V198-M251 HydrophobicContact CB-CB 3.87Å; V198-M251 HydrophobicContact CG2-CB 4.4Å; V198-M251 HydrophobicContact CG2-CE 4.46Å; V198-M251 HydrophobicContact CG2-SD 4.43Å; L249-M251 HydrophobicContact CB-CE 3.32Å; L249-M251 VanDerWaalsContact O-CE 3.28Å; L249-M251 WeakPolarHBondContact O-CE 3.19Å; M251-G256 WeakPolarHBondContact SD-CA 3.41Å; M251-L259 HydrophobicContact SD-CB 4.05Å; M251-L259 HydrophobicContact SD-CD1 3.67Å; M251-L259 HydrophobicContact SD-CG 4.42Å
252	P	98.3	Very high	97.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.013	15%	0.151	C	C	.	.			trans	-60.9	165.3	167.8	-22.9	34	0	0	0	113.7	I171 F211 L254 Y255 G256	I171-P252 HydrophobicContact CD1-CB 4.24Å; F211-P252 HydrophobicContact CD1-CG 4.11Å; F211-P252 HydrophobicContact CD2-CG 4.07Å; F211-P252 HydrophobicContact CE1-CG 4.28Å; F211-P252 HydrophobicContact CE2-CG 4.23Å; F211-P252 HydrophobicContact CG-CG 4.01Å; F211-P252 HydrophobicContact CZ-CG 4.34Å; P252-L254 PolarHBondContact O-N 3.3Å; P252-Y255 HydrophobicContact CB-CD2 4.27Å; P252-Y255 HydrophobicContact CB-CE2 4.34Å; P252-Y255 HydrophobicContact CG-CD2 3.99Å; P252-Y255 HydrophobicContact CG-CE2 3.93Å; P252-Y255 PolarHBondContact O-N 3.28Å; P252-G256 PolarHBondContact O-N 3.48Å
253	N	96.9	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-53.7	-55.6	-167.4	-154.8	-31.7	0	0	0	115.4	R146 E147 N148 E150 Y153 Y255 G256 D257	R146-N253 PolarHBondContact NE-O 3.35Å; R146-N253 PolarHBondContact NE-OD1 3.47Å; R146-N253 PolarHBondContact NH2-OD1 2.82Å; E147-N253 WeakPolarHBondContact O-CA 3.36Å; E147-N253 WeakPolarHBondContact O-CB 3.48Å; E147-N253 PolarHBondContact O-N 2.85Å; N148-N253 WeakPolarHBondContact CA-ND2 3.41Å; N148-N253 PolarHBondContact O-ND2 3.13Å; N148-N253 VanDerWaalsContact O-ND2 3.13Å; E150-N253 WeakPolarHBondContact O-CB 3.33Å; E150-N253 PolarHBondContact O-ND2 2.89Å; Y153-N253 VanDerWaalsContact CB-ND2 3.32Å; Y153-N253 WeakPolarHBondContact CB-ND2 3.21Å; Y153-N253 HydrophobicContact CD2-CB 3.92Å; Y153-N253 VanDerWaalsContact CD2-CG 3.46Å; Y153-N253 VanDerWaalsContact CD2-OD1 3.26Å; Y153-N253 WeakPolarHBondContact CD2-OD1 3.27Å; Y153-N253 HydrophobicContact CG-CB 4.49Å; N253-Y255 VanDerWaalsContact C-N 3.32Å; N253-Y255 PolarHBondContact O-N 2.63Å; N253-G256 PolarHBondContact O-N 2.91Å; N253-D257 PolarHBondContact O-N 3.23Å
254	L	97.1	Very high	97.5	Very high	53 Å²	53	24.1 Å²	24.1	28%	0.277	13%	0.13	S	C	.	.	H	α-helix	trans	-64.9	-35.7	-178.6	-179.8	61.1	0	0	0	112.8	E152 Y153 P252 G256 D257 I258	E152-L254 HydrophobicContact CB-CB 4.49Å; E152-L254 HydrophobicContact CB-CD2 4.41Å; E152-L254 HydrophobicContact CG-CB 4.44Å; E152-L254 HydrophobicContact CG-CD2 3.89Å; E152-L254 VanDerWaalsContact OE2-CB 3.27Å; E152-L254 WeakPolarHBondContact OE2-CB 3.25Å; Y153-L254 HydrophobicContact CE2-CB 4.29Å; Y153-L254 HydrophobicContact CE2-CD1 4.12Å; P252-L254 PolarHBondContact O-N 3.3Å; L254-G256 VanDerWaalsContact C-N 3.31Å; L254-D257 WeakPolarHBondContact O-CB 3.46Å; L254-D257 PolarHBondContact O-N 2.92Å; L254-I258 HydrophobicContact CD1-CD1 4.24Å; L254-I258 HydrophobicContact CG-CD1 4.09Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 2.82Å; L254-I258 VanDerWaalsContact O-N 3.12Å
255	Y	98.3	Very high	97.5	Very high	8 Å²	8	22.6 Å²	22.6	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-70.1	-37.8	-179.9	-53.2	-11.9	0	0	0	110.3	K169 M204 D208 L232 P252 N253 D257 I258 L259	K169-Y255 VanDerWaalsContact CE-OH 3.31Å; K169-Y255 WeakPolarHBondContact CE-OH 3.47Å; K169-Y255 PolarHBondContact NZ-OH 3.44Å; M204-Y255 WeakPolarHBondContact CE-OH 3.5Å; M204-Y255 PolarHBondContact SD-OH 3.3Å; D208-Y255 PolarHBondContact OD1-OH 3.28Å; D208-Y255 WeakPolarHBondContact OD2-CE2 3.16Å; D208-Y255 PolarHBondContact OD2-OH 3.44Å; D208-Y255 VanDerWaalsContact OD2-OH 3.12Å; L232-Y255 HydrophobicContact CD1-CG 4.33Å; L232-Y255 HydrophobicContact CD2-CD1 3.6Å; L232-Y255 HydrophobicContact CD2-CE1 4.06Å; L232-Y255 HydrophobicContact CD2-CG 4.03Å; P252-Y255 HydrophobicContact CB-CD2 4.27Å; P252-Y255 HydrophobicContact CB-CE2 4.34Å; P252-Y255 HydrophobicContact CG-CD2 3.99Å; P252-Y255 HydrophobicContact CG-CE2 3.93Å; P252-Y255 PolarHBondContact O-N 3.28Å; N253-Y255 VanDerWaalsContact C-N 3.32Å; N253-Y255 PolarHBondContact O-N 2.63Å; Y255-D257 VanDerWaalsContact C-N 3.34Å; Y255-I258 PolarHBondContact O-N 3.31Å; Y255-L259 WeakPolarHBondContact O-CB 3.45Å; Y255-L259 PolarHBondContact O-N 3.49Å
256	G	97.8	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-43.1	172.8	0	0	0	0	0	111.7	M251 P252 N253 L254 I258 S260	M251-G256 WeakPolarHBondContact SD-CA 3.41Å; P252-G256 PolarHBondContact O-N 3.48Å; N253-G256 PolarHBondContact O-N 2.91Å; L254-G256 VanDerWaalsContact C-N 3.31Å; G256-I258 PolarHBondContact O-N 3.36Å; G256-S260 WeakPolarHBondContact O-CB 3.46Å; G256-S260 PolarHBondContact O-N 3Å; G256-S260 PolarHBondContact O-OG 3.32Å
257	D	95.8	Very high	97.5	Very high	50 Å²	50	18.5 Å²	18.5	27%	0.267	11%	0.109	S	C	.	.	H	α-helix	trans	-54.9	-54.7	174.5	-154.3	59.1	0	0	0	111.4	R146 Y153 N253 L254 Y255 S260 D261	R146-D257 IonicContact CZ-OD1 2.6Å; R146-D257 IonicContact NH1-OD1 2.94Å; R146-D257 PolarHBondContact NH1-OD1 3.02Å; R146-D257 IonicContact NH2-OD1 3.83Å; R146-D257 PolarHBondContact NH2-OD1 2.87Å; Y153-D257 HydrophobicContact CE2-CB 4.45Å; Y153-D257 PolarHBondContact OH-OD1 3.12Å; Y153-D257 PolarHBondContact OH-OD2 2.85Å; N253-D257 PolarHBondContact O-N 3.23Å; L254-D257 WeakPolarHBondContact O-CB 3.46Å; L254-D257 PolarHBondContact O-N 2.92Å; Y255-D257 VanDerWaalsContact C-N 3.34Å; D257-S260 PolarHBondContact O-OG 3.01Å; D257-D261 PolarHBondContact O-N 2.92Å
258	I	97.7	Very high	97.2	Very high	76 Å²	76	18.7 Å²	18.7	39%	0.39	12%	0.117	S	C	.	.	H	α-helix	trans	-62.8	-52.7	-177	-64.8	164.7	0	0	0	111.5	L254 Y255 G256 D261 L262	L254-I258 HydrophobicContact CD1-CD1 4.24Å; L254-I258 HydrophobicContact CG-CD1 4.09Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 2.82Å; L254-I258 VanDerWaalsContact O-N 3.12Å; Y255-I258 PolarHBondContact O-N 3.31Å; G256-I258 PolarHBondContact O-N 3.36Å; I258-D261 PolarHBondContact O-N 3Å; I258-L262 WeakPolarHBondContact O-CB 2.86Å; I258-L262 PolarHBondContact O-N 2.92Å
259	L	98.2	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.8	-33.5	-174.2	-77.2	175.8	0	0	0	112.6	V198 L232 V235 M239 M251 Y255 D261 L262 C263	V198-L259 HydrophobicContact CB-CD1 4.3Å; V198-L259 HydrophobicContact CG1-CD1 3.82Å; V198-L259 HydrophobicContact CG2-CD1 4Å; L232-L259 HydrophobicContact CD1-CD1 3.81Å; L232-L259 HydrophobicContact CD1-CD2 4.42Å; L232-L259 HydrophobicContact CD1-CG 3.9Å; V235-L259 HydrophobicContact CB-CD1 4.45Å; V235-L259 HydrophobicContact CG1-CD1 3.8Å; V235-L259 HydrophobicContact CG1-CD2 3.78Å; V235-L259 HydrophobicContact CG1-CG 4.49Å; M239-L259 HydrophobicContact CE-CD2 4.35Å; M239-L259 HydrophobicContact SD-CD2 4.41Å; M251-L259 HydrophobicContact SD-CB 4.05Å; M251-L259 HydrophobicContact SD-CD1 3.67Å; M251-L259 HydrophobicContact SD-CG 4.42Å; Y255-L259 WeakPolarHBondContact O-CB 3.45Å; Y255-L259 PolarHBondContact O-N 3.49Å; L259-D261 VanDerWaalsContact C-N 3.31Å; L259-D261 PolarHBondContact O-N 3.35Å; L259-L262 HydrophobicContact CD2-CD1 4.29Å; L259-L262 PolarHBondContact O-N 2.91Å; L259-C263 WeakPolarHBondContact O-CB 3.48Å; L259-C263 PolarHBondContact O-N 3.46Å; L259-C263 PolarHBondContact O-SG 3.38Å
260	S	97.1	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68	-33	179.3	75.7	0	0	0	0	112	R125 T144 G256 D257 A264	R125-S260 PolarHBondContact NH1-OG 3.44Å; T144-S260 WeakPolarHBondContact OG1-CB 3.38Å; G256-S260 WeakPolarHBondContact O-CB 3.46Å; G256-S260 PolarHBondContact O-N 3Å; G256-S260 PolarHBondContact O-OG 3.32Å; D257-S260 PolarHBondContact O-OG 3.01Å; S260-A264 PolarHBondContact O-N 3.02Å
261	D	96.7	Very high	96.5	Very high	72 Å²	72	23.3 Å²	23.3	39%	0.385	15%	0.151	S	C	.	.	H	α-helix	trans	-77.1	-37.4	173	-82.7	20.7	0	0	0	111.9	R125 D257 I258 L259 C263 A264 G265	R125-D261 IonicContact CZ-OD1 3.41Å; R125-D261 IonicContact NH1-OD1 2.63Å; R125-D261 PolarHBondContact NH1-OD1 2.86Å; D257-D261 PolarHBondContact O-N 2.92Å; I258-D261 PolarHBondContact O-N 3Å; L259-D261 VanDerWaalsContact C-N 3.31Å; L259-D261 PolarHBondContact O-N 3.35Å; D261-C263 VanDerWaalsContact C-N 3.34Å; D261-C263 PolarHBondContact O-N 2.8Å; D261-A264 WeakPolarHBondContact O-CB 3.36Å; D261-A264 PolarHBondContact O-N 3.46Å; D261-G265 PolarHBondContact O-N 3.15Å; D261-G265 VanDerWaalsContact O-N 3.15Å
262	L	97.7	Very high	96.3	Very high	43 Å²	43	23.5 Å²	23.5	23%	0.225	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-49	171.1	-172.2	166.7	0	0	0	110.3	C236 M239 V240 I258 L259 A264 G265 L266	C236-L262 HydrophobicContact CB-CD1 4.15Å; M239-L262 HydrophobicContact CB-CD2 4.47Å; M239-L262 HydrophobicContact CG-CD2 3.9Å; M239-L262 HydrophobicContact SD-CD2 3.47Å; M239-L262 WeakPolarHBondContact SD-CD2 3.28Å; V240-L262 HydrophobicContact CG1-CD1 4.44Å; V240-L262 HydrophobicContact CG1-CD2 4.32Å; I258-L262 WeakPolarHBondContact O-CB 2.86Å; I258-L262 PolarHBondContact O-N 2.92Å; L259-L262 HydrophobicContact CD2-CD1 4.29Å; L259-L262 PolarHBondContact O-N 2.91Å; L262-A264 VanDerWaalsContact C-N 3.31Å; L262-A264 PolarHBondContact O-N 3.43Å; L262-G265 WeakPolarHBondContact O-CA 3.37Å; L262-G265 PolarHBondContact O-N 3.2Å; L262-L266 HydrophobicContact CD2-CD1 4.11Å; L262-L266 HydrophobicContact CD2-CD2 4.13Å; L262-L266 HydrophobicContact CD2-CG 4.14Å; L262-L266 PolarHBondContact O-N 3.06Å
263	C	97.7	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-38.6	178.6	-67.8	0	0	0	0	112.5	C127 M239 L259 D261 G265 L266	C127-C263 HydrophobicContact CB-CB 3.75Å; C127-C263 WeakPolarHBondContact SG-CB 3.49Å; M239-C263 PolarHBondContact SD-SG 2.88Å; L259-C263 WeakPolarHBondContact O-CB 3.48Å; L259-C263 PolarHBondContact O-N 3.46Å; L259-C263 PolarHBondContact O-SG 3.38Å; D261-C263 VanDerWaalsContact C-N 3.34Å; D261-C263 PolarHBondContact O-N 2.8Å; C263-G265 VanDerWaalsContact C-N 3.26Å; C263-G265 PolarHBondContact O-N 2.91Å; C263-L266 WeakPolarHBondContact O-CB 3.46Å; C263-L266 PolarHBondContact O-N 2.86Å; C263-L266 VanDerWaalsContact O-N 3.08Å
264	A	96.3	Very high	96.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-39.8	174.4	0	0	0	0	0	111.4	S260 D261 L262 L266 I267 G268 G269 L270 T273	S260-A264 PolarHBondContact O-N 3.02Å; D261-A264 WeakPolarHBondContact O-CB 3.36Å; D261-A264 PolarHBondContact O-N 3.46Å; L262-A264 VanDerWaalsContact C-N 3.31Å; L262-A264 PolarHBondContact O-N 3.43Å; A264-L266 VanDerWaalsContact C-N 3.25Å; A264-L266 PolarHBondContact O-N 3.34Å; A264-I267 WeakPolarHBondContact O-CG1 3.49Å; A264-I267 PolarHBondContact O-N 2.78Å; A264-G268 PolarHBondContact O-N 3.12Å; A264-G269 VanDerWaalsContact O-CA 3.25Å; A264-G269 WeakPolarHBondContact O-CA 3.36Å; A264-G269 PolarHBondContact O-N 3.49Å; A264-L270 HydrophobicContact CB-CD2 3.68Å; A264-L270 HydrophobicContact CB-CG 4.44Å; A264-T273 HydrophobicContact CB-CG2 4.11Å; A264-T273 VanDerWaalsContact CB-OG1 3.28Å; A264-T273 WeakPolarHBondContact CB-OG1 3.21Å
265	G	95.9	Very high	96.2	Very high	48 Å²	48	22.1 Å²	22.1	50%	0.495	14%	0.144	S	C	.	.	H	α-helix	trans	-61	-31	174.9	0	0	0	0	0	113.9	D261 L262 C263 I267	D261-G265 PolarHBondContact O-N 3.15Å; D261-G265 VanDerWaalsContact O-N 3.15Å; L262-G265 WeakPolarHBondContact O-CA 3.37Å; L262-G265 PolarHBondContact O-N 3.2Å; C263-G265 VanDerWaalsContact C-N 3.26Å; C263-G265 PolarHBondContact O-N 2.91Å; G265-I267 VanDerWaalsContact C-N 3.29Å; G265-I267 PolarHBondContact O-N 2.67Å
266	L	96.2	Very high	96.2	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-70	-26.1	178.7	-51.7	175.1	0	0	0	112.8	T135 Y137 V140 I142 M239 P243 L262 C263 A264	T135-L266 PolarHBondContact OG1-O 3.45Å; T135-L266 VanDerWaalsContact OG1-O 3.07Å; Y137-L266 HydrophobicContact CD1-CD2 4.43Å; Y137-L266 HydrophobicContact CD2-CB 4.12Å; Y137-L266 HydrophobicContact CD2-CD2 3.78Å; Y137-L266 HydrophobicContact CE1-CD2 4.13Å; Y137-L266 HydrophobicContact CE2-CD2 3.43Å; Y137-L266 VanDerWaalsContact CE2-CD2 3.43Å; Y137-L266 HydrophobicContact CG-CB 4.48Å; Y137-L266 HydrophobicContact CG-CD2 4.27Å; V140-L266 HydrophobicContact CG1-CB 4.27Å; V140-L266 HydrophobicContact CG1-CD1 4.34Å; V140-L266 HydrophobicContact CG2-CB 4.15Å; I142-L266 HydrophobicContact CD1-CD1 4.31Å; M239-L266 HydrophobicContact CG-CD1 3.75Å; M239-L266 HydrophobicContact SD-CD1 4.08Å; P243-L266 HydrophobicContact CB-CD1 3.86Å; P243-L266 HydrophobicContact CG-CD1 4.49Å; L262-L266 HydrophobicContact CD2-CD1 4.11Å; L262-L266 HydrophobicContact CD2-CD2 4.13Å; L262-L266 HydrophobicContact CD2-CG 4.14Å; L262-L266 PolarHBondContact O-N 3.06Å; C263-L266 WeakPolarHBondContact O-CB 3.46Å; C263-L266 PolarHBondContact O-N 2.86Å; C263-L266 VanDerWaalsContact O-N 3.08Å; A264-L266 VanDerWaalsContact C-N 3.25Å; A264-L266 PolarHBondContact O-N 3.34Å
267	I	95.3	Very high	96.2	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	12.6	-177.2	66.1	159.1	0	0	0	113	C127 V140 A264 G265 V272	C127-I267 HydrophobicContact CB-CD1 4.15Å; C127-I267 HydrophobicContact CB-CG1 4.44Å; C127-I267 HydrophobicContact CB-CG2 4.23Å; V140-I267 HydrophobicContact CB-CG2 3.89Å; V140-I267 HydrophobicContact CG1-CG2 3.85Å; V140-I267 HydrophobicContact CG2-CG2 4.46Å; A264-I267 WeakPolarHBondContact O-CG1 3.49Å; A264-I267 PolarHBondContact O-N 2.78Å; G265-I267 VanDerWaalsContact C-N 3.29Å; G265-I267 PolarHBondContact O-N 2.67Å; I267-V272 HydrophobicContact CD1-CG2 4.19Å; I267-V272 HydrophobicContact CG1-CG2 4.32Å
268	G	92.6	Very high	96.3	Very high	30 Å²	30	20 Å²	20	31%	0.309	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	12.4	174.2	0	0	0	0	0	115.2	Y133 A264	Y133-G268 PolarHBondContact OH-O 3.29Å; A264-G268 PolarHBondContact O-N 3.12Å
269	G	93.9	Very high	96.2	Very high	20 Å²	20	16.6 Å²	16.6	21%	0.206	12%	0.116	C	C	.	.			trans	120.7	179.4	158.9	0	0	0	0	0	115.8	A264 G271 V272 T273	A264-G269 VanDerWaalsContact O-CA 3.25Å; A264-G269 WeakPolarHBondContact O-CA 3.36Å; A264-G269 PolarHBondContact O-N 3.49Å; G269-G271 PolarHBondContact O-N 2.6Å; G269-V272 WeakPolarHBondContact O-CG2 3.33Å; G269-V272 PolarHBondContact O-N 3.42Å; G269-T273 PolarHBondContact O-OG1 3.41Å
270	L	93.3	Very high	95.6	Very high	59 Å²	59	19.5 Å²	19.5	31%	0.309	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-63.7	-24.4	-177.6	-63.4	173.8	0	0	0	113.4	A264 V272 T273 V289 H290	A264-L270 HydrophobicContact CB-CD2 3.68Å; A264-L270 HydrophobicContact CB-CG 4.44Å; L270-V272 PolarHBondContact O-N 3.41Å; L270-T273 PolarHBondContact O-N 2.94Å; L270-V289 HydrophobicContact CB-CG2 4.02Å; L270-V289 HydrophobicContact CD2-CB 4.44Å; L270-V289 HydrophobicContact CD2-CG2 3.69Å; L270-V289 HydrophobicContact CG-CG2 4.46Å; L270-V289 WeakPolarHBondContact O-CG2 3.37Å; L270-H290 HydrophobicContact CB-CB 3.9Å
271	G	94.4	Very high	95.2	Very high	20 Å²	20	25.3 Å²	25.3	21%	0.206	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.8	-179.5	0	0	0	0	0	114.9	G269 A306	G269-G271 PolarHBondContact O-N 2.6Å; G271-A306 VanDerWaalsContact O-CB 3.26Å; G271-A306 WeakPolarHBondContact O-CB 3.17Å; G271-A306 PolarHBondContact O-N 3.31Å
272	V	94.8	Very high	94.9	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.024	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-118	5.6	178.1	-63	0	0	0	0	113.2	I130 Y133 I267 G269 L270 T305 L345	I130-V272 HydrophobicContact CD1-CB 3.77Å; I130-V272 HydrophobicContact CD1-CG1 4.18Å; I130-V272 HydrophobicContact CD1-CG2 4.24Å; Y133-V272 HydrophobicContact CE1-CG1 4.42Å; Y133-V272 HydrophobicContact CE1-CG2 4.37Å; I267-V272 HydrophobicContact CD1-CG2 4.19Å; I267-V272 HydrophobicContact CG1-CG2 4.32Å; G269-V272 WeakPolarHBondContact O-CG2 3.33Å; G269-V272 PolarHBondContact O-N 3.42Å; L270-V272 PolarHBondContact O-N 3.41Å; V272-T305 HydrophobicContact CB-CG2 4.22Å; V272-T305 HydrophobicContact CG1-CG2 4.05Å; V272-L345 HydrophobicContact CG1-CD2 3.64Å
273	T	95.4	Very high	94.9	Very high	0 Å²	0	21 Å²	21	0%	0	15%	0.154	C	C	.	.			trans	-98.6	124.6	-173.5	-56.9	0	0	0	0	110.9	R125 A264 G269 L270 V289 A306	R125-T273 HydrophobicContact CG-CG2 3.7Å; A264-T273 HydrophobicContact CB-CG2 4.11Å; A264-T273 VanDerWaalsContact CB-OG1 3.28Å; A264-T273 WeakPolarHBondContact CB-OG1 3.21Å; G269-T273 PolarHBondContact O-OG1 3.41Å; L270-T273 PolarHBondContact O-N 2.94Å; T273-V289 HydrophobicContact CG2-CG2 4.09Å; T273-V289 WeakPolarHBondContact O-CG2 3.41Å; T273-A306 WeakPolarHBondContact O-CB 3.12Å
274	Q	96.7	Very high	94.9	Very high	26 Å²	26	21 Å²	21	12%	0.121	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	152.9	179.5	57.4	-179	0.5	0	0	112.3	R125 P126 L309 S310 M313	R125-Q274 WeakPolarHBondContact CG-O 3.47Å; P126-Q274 HydrophobicContact CG-CG 4.46Å; Q274-L309 HydrophobicContact CB-CB 3.7Å; Q274-L309 HydrophobicContact CG-CB 4.29Å; Q274-L309 VanDerWaalsContact OE1-C 3.24Å; Q274-L309 PolarHBondContact OE1-O 2.91Å; Q274-S310 VanDerWaalsContact CA-OG 3.31Å; Q274-S310 WeakPolarHBondContact CA-OG 3.32Å; Q274-M313 HydrophobicContact CB-CG 4.44Å; Q274-M313 HydrophobicContact CB-SD 3.65Å; Q274-M313 HydrophobicContact CG-CG 4.25Å; Q274-M313 HydrophobicContact CG-SD 3.46Å; Q274-M313 WeakPolarHBondContact CG-SD 3.43Å
275	S	97.9	Very high	95	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.9	-178.8	171.3	0	0	0	0	112.5	N123 V124 F286 E287 S310	N123-S275 PolarHBondContact ND2-OG 3.49Å; V124-S275 WeakPolarHBondContact O-CA 3.47Å; S275-F286 WeakPolarHBondContact O-CA 3.43Å; S275-E287 PolarHBondContact O-N 2.84Å; S275-S310 PolarHBondContact N-OG 3.39Å; S275-S310 PolarHBondContact O-OG 2.92Å
276	G	98.1	Very high	95.1	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.1	172.4	0	0	0	0	0	111.8	N123 V124	N123-G276 CarbonylContact C-O 3.51Å; N123-G276 WeakPolarHBondContact CA-O 3.41Å; V124-G276 PolarHBondContact N-O 3.18Å; V124-G276 PolarHBondContact O-N 3.11Å
277	N	98.2	Very high	95.2	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.7	171.9	-58	-94.4	0	0	0	108.8	R115 L120 A122 N123 N148 A284 I285 E287	R115-N277 PolarHBondContact NE-OD1 3.28Å; L120-N277 HydrophobicContact CB-CB 3.84Å; L120-N277 HydrophobicContact CD1-CB 3.89Å; L120-N277 HydrophobicContact CG-CB 4.38Å; A122-N277 CarbonylContact O-C 3.53Å; A122-N277 WeakPolarHBondContact O-CA 3.25Å; N123-N277 PolarHBondContact ND2-OD1 3.01Å; N148-N277 PolarHBondContact ND2-OD1 2.8Å; N277-A284 CarbonylContact O-C 3.59Å; N277-A284 VanDerWaalsContact O-CA 3.26Å; N277-A284 WeakPolarHBondContact O-CA 3.39Å; N277-I285 PolarHBondContact N-O 3.07Å; N277-I285 PolarHBondContact ND2-O 2.87Å; N277-I285 PolarHBondContact O-N 2.77Å; N277-E287 PolarHBondContact ND2-OE1 3.28Å
278	I	98	Very high	94.9	Very high	11 Å²	11	19.1 Å²	19.1	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.9	-173.2	-45.9	-56.9	0	0	0	109.4	L120 Y121 A122 V124 F182 A284 F286	L120-I278 CarbonylContact C-O 3.55Å; Y121-I278 PolarHBondContact N-O 3.13Å; Y121-I278 VanDerWaalsContact N-O 3.07Å; A122-I278 HydrophobicContact CB-CB 4.43Å; A122-I278 PolarHBondContact N-O 3.42Å; A122-I278 VanDerWaalsContact N-O 3.11Å; A122-I278 PolarHBondContact O-N 2.98Å; V124-I278 HydrophobicContact CG2-CG1 4.36Å; F182-I278 HydrophobicContact CE2-CB 4.13Å; F182-I278 HydrophobicContact CE2-CG1 4.22Å; F182-I278 HydrophobicContact CE2-CG2 4.03Å; F182-I278 HydrophobicContact CZ-CB 4.36Å; F182-I278 HydrophobicContact CZ-CG1 4.01Å; I278-A284 HydrophobicContact CD1-CB 3.85Å; I278-F286 HydrophobicContact CD1-CE1 4.45Å; I278-F286 HydrophobicContact CD1-CZ 4.12Å
279	G	95.9	Very high	94.8	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.031	12%	0.124	C	C	.	.			trans	-108.9	163.7	176.5	0	0	0	0	0	114	D119 N281 V283	D119-G279 WeakPolarHBondContact O-CA 3.37Å; G279-N281 VanDerWaalsContact C-N 3.35Å; G279-N281 PolarHBondContact O-N 2.98Å; G279-V283 WeakPolarHBondContact CA-O 3.46Å; G279-V283 PolarHBondContact N-O 3.1Å
280	A	86.7	Confident	94.6	Very high	62 Å²	62	19.1 Å²	19.1	51%	0.512	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-30.9	-176.1	0	0	0	0	0	113.4	Y121 G282	Y121-A280 HydrophobicContact CD1-CB 4.37Å; Y121-A280 HydrophobicContact CE1-CB 4.19Å; A280-G282 PolarHBondContact O-N 2.86Å
281	N	87.2	Confident	94.5	Very high	122 Å²	122	18.9 Å²	18.9	65%	0.652	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	24.2	-175.2	-62.9	-37.3	0	0	0	113.7	G279 V283	G279-N281 VanDerWaalsContact C-N 3.35Å; G279-N281 PolarHBondContact O-N 2.98Å; N281-V283 PolarHBondContact O-N 2.84Å
282	G	90.9	Very high	94.5	Very high	21 Å²	21	19 Å²	19	22%	0.216	13%	0.128	C	C	.	.	S	Bend	trans	74.7	0.3	-176.7	0	0	0	0	0	114.7	M93 A280	M93-G282 WeakPolarHBondContact CE-O 3.47Å; A280-G282 PolarHBondContact O-N 2.86Å
283	V	97.1	Very high	94.4	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	14%	0.139	C	C	.	.			trans	-74.1	134	174.2	-175	0	0	0	0	109.5	M88 K92 F118 L120 G279 N281	M88-V283 HydrophobicContact CE-CG1 3.58Å; K92-V283 HydrophobicContact CD-CG2 3.78Å; K92-V283 CarbonylContact O-C 3.5Å; K92-V283 VanDerWaalsContact O-CA 3.23Å; K92-V283 WeakPolarHBondContact O-CA 3.24Å; F118-V283 HydrophobicContact CB-CG1 3.99Å; F118-V283 HydrophobicContact CD1-CG1 4.28Å; F118-V283 HydrophobicContact CG-CG1 4.18Å; L120-V283 HydrophobicContact CD2-CB 4.33Å; L120-V283 HydrophobicContact CD2-CG1 4.06Å; G279-V283 WeakPolarHBondContact CA-O 3.46Å; G279-V283 PolarHBondContact N-O 3.1Å; N281-V283 PolarHBondContact O-N 2.84Å
284	A	98.2	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.9	173.3	0	0	0	0	0	110.7	K92 M93 G94 N277 I278 F286	K92-A284 PolarHBondContact O-N 2.86Å; M93-A284 HydrophobicContact CE-CB 4.28Å; M93-A284 HydrophobicContact SD-CB 4.1Å; G94-A284 PolarHBondContact N-O 3.41Å; N277-A284 CarbonylContact O-C 3.59Å; N277-A284 VanDerWaalsContact O-CA 3.26Å; N277-A284 WeakPolarHBondContact O-CA 3.39Å; I278-A284 HydrophobicContact CD1-CB 3.85Å; A284-F286 HydrophobicContact CB-CE2 3.71Å; A284-F286 HydrophobicContact CB-CZ 4.17Å
285	I	98.3	Very high	94.3	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115	173.5	-58.1	-174.8	0	0	0	109	M88 G94 K96 L114 F118 L120 N277	M88-I285 HydrophobicContact CE-CD1 4Å; M88-I285 HydrophobicContact CE-CG1 3.62Å; M88-I285 HydrophobicContact SD-CD1 4.49Å; M88-I285 HydrophobicContact SD-CG1 4.46Å; G94-I285 WeakPolarHBondContact O-CA 3.37Å; K96-I285 HydrophobicContact CB-CG2 3.79Å; K96-I285 HydrophobicContact CD-CG2 4.34Å; L114-I285 HydrophobicContact CB-CD1 4.5Å; F118-I285 HydrophobicContact CD2-CD1 3.91Å; F118-I285 HydrophobicContact CE2-CD1 4.2Å; L120-I285 HydrophobicContact CD1-CB 3.97Å; L120-I285 HydrophobicContact CD1-CD1 3.67Å; L120-I285 HydrophobicContact CD1-CG1 3.76Å; N277-I285 PolarHBondContact N-O 3.07Å; N277-I285 PolarHBondContact ND2-O 2.87Å; N277-I285 PolarHBondContact O-N 2.77Å
286	F	98.6	Very high	94.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	135	173.8	-61.2	-90.5	0	0	0	109.2	G94 L95 K96 S275 I278 A284 S310 M313 M314 H317	G94-F286 PolarHBondContact O-N 3.3Å; L95-F286 CarbonylContact C-O 3.57Å; L95-F286 WeakPolarHBondContact CA-O 3.36Å; L95-F286 HydrophobicContact CD1-CB 4.1Å; K96-F286 PolarHBondContact N-O 3.25Å; S275-F286 WeakPolarHBondContact O-CA 3.43Å; I278-F286 HydrophobicContact CD1-CE1 4.45Å; I278-F286 HydrophobicContact CD1-CZ 4.12Å; A284-F286 HydrophobicContact CB-CE2 3.71Å; A284-F286 HydrophobicContact CB-CZ 4.17Å; F286-S310 WeakPolarHBondContact CB-O 3.23Å; F286-S310 WeakPolarHBondContact CD1-O 3.24Å; F286-M313 HydrophobicContact CD1-CB 3.65Å; F286-M313 HydrophobicContact CE1-CB 3.67Å; F286-M314 HydrophobicContact CB-CB 4.21Å; F286-M314 HydrophobicContact CD1-CB 4.19Å; F286-M314 HydrophobicContact CD2-CB 3.35Å; F286-M314 HydrophobicContact CD2-CG 3.48Å; F286-M314 VanDerWaalsContact CD2-CG 3.48Å; F286-M314 HydrophobicContact CD2-SD 4.3Å; F286-M314 HydrophobicContact CE1-CB 4.47Å; F286-M314 HydrophobicContact CE2-CB 3.7Å; F286-M314 HydrophobicContact CE2-CG 3.7Å; F286-M314 HydrophobicContact CG-CB 3.64Å; F286-M314 HydrophobicContact CG-CG 4.25Å; F286-M314 HydrophobicContact CZ-CB 4.25Å; F286-H317 HydrophobicContact CE1-CB 4.46Å; F286-H317 HydrophobicContact CE2-CB 4.24Å; F286-H317 HydrophobicContact CZ-CB 3.58Å; F286-H317 AromaticContact CZ-CG 3.81Å
287	E	97	Very high	94.1	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.6	-169.6	69.3	176.7	146.6	0	0	113.6	K96 R115 S275 N277 S310	K96-E287 HydrophobicContact CB-CB 4.17Å; K96-E287 WeakPolarHBondContact CE-OE2 3.27Å; K96-E287 IonicContact NZ-OE2 3.82Å; K96-E287 PolarHBondContact NZ-OE2 3.06Å; K96-E287 VanDerWaalsContact O-CA 3.28Å; K96-E287 WeakPolarHBondContact O-CA 3.35Å; R115-E287 IonicContact NH2-OE1 2.94Å; R115-E287 PolarHBondContact NH2-OE1 3.34Å; S275-E287 PolarHBondContact O-N 2.84Å; N277-E287 PolarHBondContact ND2-OE1 3.28Å; E287-S310 WeakPolarHBondContact O-CB 3.35Å; E287-S310 PolarHBondContact O-OG 3.1Å
288	S	90.1	Very high	94.1	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.7	159.9	48.5	0	0	0	0	109.8	K96 P98 H290	K96-S288 PolarHBondContact O-N 3.24Å; P98-S288 WeakPolarHBondContact CD-OG 3.36Å; S288-H290 WeakPolarHBondContact CB-NE2 3.45Å
289	V	90	Very high	94.1	Very high	25 Å²	25	41.3 Å²	41.3	15%	0.152	27%	0.273	C	S	.	.			trans	-96	-16.6	-178.5	-56	0	0	0	0	113.1	R125 L270 T273	R125-V289 VanDerWaalsContact CZ-CG1 3.48Å; R125-V289 VanDerWaalsContact NH2-CG1 3.31Å; L270-V289 HydrophobicContact CB-CG2 4.02Å; L270-V289 HydrophobicContact CD2-CB 4.44Å; L270-V289 HydrophobicContact CD2-CG2 3.69Å; L270-V289 HydrophobicContact CG-CG2 4.46Å; L270-V289 WeakPolarHBondContact O-CG2 3.37Å; T273-V289 HydrophobicContact CG2-CG2 4.09Å; T273-V289 WeakPolarHBondContact O-CG2 3.41Å
290	H	90.5	Very high	94.1	Very high	26 Å²	26	43.4 Å²	43.4	12%	0.12	28%	0.284	C	S	.	.	S	Bend	trans	-75.7	166.7	177.3	61.9	67.1	0	0	0	112	P98 L270 S288	P98-H290 WeakPolarHBondContact CB-O 3.22Å; L270-H290 HydrophobicContact CB-CB 3.9Å; S288-H290 WeakPolarHBondContact CB-NE2 3.45Å
291	G	90.8	Very high	94.7	Very high	53 Å²	53	44 Å²	44	55%	0.546	28%	0.277	S	S	.	.			trans	-76.4	-172.5	175.6	0	0	0	0	0	114	P98	P98-G291 WeakPolarHBondContact CB-O 3.26Å
292	T	93.6	Very high	95.1	Very high	23 Å²	23	38.2 Å²	38.2	14%	0.141	25%	0.246	C	C	.	.			trans	-82.1	-10.9	-174.5	56.9	0	0	0	0	114.8	D40 G41 I42 P98 K100	D40-T292 HydrophobicContact CB-CG2 3.83Å; G41-T292 CarbonylContact C-O 3.29Å; G41-T292 WeakPolarHBondContact CA-O 3.36Å; I42-T292 PolarHBondContact N-O 2.74Å; P98-T292 HydrophobicContact CB-CG2 3.96Å; P98-T292 HydrophobicContact CG-CG2 4.34Å; K100-T292 HydrophobicContact CB-CG2 4.24Å
293	A	94.1	Very high	95.4	Very high	29 Å²	29	37.7 Å²	37.7	24%	0.24	24%	0.238	C	C	.	.			trans	40.5	59.3	178.9	0	0	0	0	0	114.2	I42 D295 I296 A297	I42-A293 HydrophobicContact CD1-CB 4.09Å; I42-A293 HydrophobicContact CG1-CB 4.31Å; I42-A293 HydrophobicContact CG2-CB 3.84Å; I42-A293 WeakPolarHBondContact CG2-O 3.24Å; A293-D295 VanDerWaalsContact C-OD1 3.25Å; A293-D295 PolarHBondContact O-N 2.98Å; A293-D295 VanDerWaalsContact O-N 3.09Å; A293-I296 HydrophobicContact CB-CD1 4.14Å; A293-I296 HydrophobicContact CB-CG1 3.79Å; A293-I296 WeakPolarHBondContact O-CG1 3.42Å; A293-I296 PolarHBondContact O-N 3.29Å; A293-I296 VanDerWaalsContact O-N 3.12Å; A293-A297 PolarHBondContact O-N 3.41Å
294	P	93.8	Very high	95.5	Very high	101 Å²	101	37.5 Å²	37.5	66%	0.656	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.4	-172.3	28.4	-36.4	0	0	0	113.8	I296	P294-I296 VanDerWaalsContact C-N 3.33Å
295	D	95.7	Very high	95.4	Very high	106 Å²	106	37.5 Å²	37.5	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.4	177	60.8	-54	0	0	0	113.4	A293 K299	A293-D295 VanDerWaalsContact C-OD1 3.25Å; A293-D295 PolarHBondContact O-N 2.98Å; A293-D295 VanDerWaalsContact O-N 3.09Å; D295-K299 VanDerWaalsContact O-CE 3.26Å; D295-K299 WeakPolarHBondContact O-CE 3.49Å; D295-K299 PolarHBondContact O-NZ 3.06Å
296	I	96.1	Very high	95.4	Very high	39 Å²	39	37.4 Å²	37.4	20%	0.2	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-2.7	177.2	60.7	161.6	0	0	0	114.2	I42 A293 P294 G298 K299 M301 A302	I42-I296 HydrophobicContact CG2-CD1 4.02Å; I42-I296 HydrophobicContact CG2-CG1 3.7Å; A293-I296 HydrophobicContact CB-CD1 4.14Å; A293-I296 HydrophobicContact CB-CG1 3.79Å; A293-I296 WeakPolarHBondContact O-CG1 3.42Å; A293-I296 PolarHBondContact O-N 3.29Å; A293-I296 VanDerWaalsContact O-N 3.12Å; P294-I296 VanDerWaalsContact C-N 3.33Å; I296-G298 PolarHBondContact O-N 3.4Å; I296-K299 VanDerWaalsContact O-CB 3.29Å; I296-K299 WeakPolarHBondContact O-CB 3.35Å; I296-K299 PolarHBondContact O-N 3.05Å; I296-M301 HydrophobicContact CB-CB 4.28Å; I296-M301 HydrophobicContact CG2-CE 4.4Å; I296-M301 HydrophobicContact CG2-SD 4.3Å; I296-A302 HydrophobicContact CD1-CB 4.41Å
297	A	96.5	Very high	95.4	Very high	35 Å²	35	37.2 Å²	37.2	29%	0.289	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	125	179.4	0	0	0	0	0	112.5	G41 I42 A293 K299	G41-A297 VanDerWaalsContact C-CB 3.47Å; I42-A297 HydrophobicContact CG2-CB 4.39Å; A293-A297 PolarHBondContact O-N 3.41Å; A297-K299 PolarHBondContact O-N 3.46Å
298	G	96.5	Very high	95.5	Very high	72 Å²	72	36.9 Å²	36.9	74%	0.742	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	10.5	178	0	0	0	0	0	114.4	E45 I296	E45-G298 PolarHBondContact OE1-N 2.62Å; E45-G298 VanDerWaalsContact OE1-N 3.07Å; I296-G298 PolarHBondContact O-N 3.4Å
299	K	97.8	Very high	95.9	Very high	131 Å²	131	37 Å²	37	57%	0.57	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	3.2	176.2	-57.6	-172.6	-176.1	167.8	0	113.5	D295 I296 A297 M301	D295-K299 VanDerWaalsContact O-CE 3.26Å; D295-K299 WeakPolarHBondContact O-CE 3.49Å; D295-K299 PolarHBondContact O-NZ 3.06Å; I296-K299 VanDerWaalsContact O-CB 3.29Å; I296-K299 WeakPolarHBondContact O-CB 3.35Å; I296-K299 PolarHBondContact O-N 3.05Å; A297-K299 PolarHBondContact O-N 3.46Å; K299-M301 HydrophobicContact CB-CG 4.07Å; K299-M301 HydrophobicContact CB-SD 4.08Å; K299-M301 PolarHBondContact O-N 3.44Å
300	D	97.6	Very high	96.3	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.251	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	36.3	-179.3	-163.9	18.5	0	0	0	111.9	E45 K350 C351 S352	E45-D300 WeakPolarHBondContact OE2-CA 3.03Å; E45-D300 PolarHBondContact OE2-N 3.31Å; D300-K350 CarbonylContact O-C 3.55Å; D300-K350 WeakPolarHBondContact O-CA 3.36Å; D300-K350 VanDerWaalsContact O-CB 3.3Å; D300-K350 WeakPolarHBondContact O-CB 3.28Å; D300-K350 WeakPolarHBondContact OD2-CB 3.48Å; D300-K350 VanDerWaalsContact OD2-CD 3.32Å; D300-K350 WeakPolarHBondContact OD2-CD 3.37Å; D300-C351 PolarHBondContact O-N 2.8Å; D300-C351 VanDerWaalsContact OD1-CB 3.24Å; D300-C351 WeakPolarHBondContact OD1-CB 3.13Å; D300-C351 PolarHBondContact OD1-N 3.36Å; D300-S352 WeakPolarHBondContact OD1-CB 3.34Å; D300-S352 PolarHBondContact OD1-N 2.84Å; D300-S352 PolarHBondContact OD1-OG 3.44Å; D300-S352 WeakPolarHBondContact OD2-CB 3.46Å; D300-S352 PolarHBondContact OD2-OG 3.39Å
301	M	97.5	Very high	96.7	Very high	74 Å²	74	34.6 Å²	34.6	37%	0.365	22%	0.222	S	C	.	.			trans	-115.4	-10	-176.6	-68.8	-179.3	67	0	0	113	I296 K299 K343	I296-M301 HydrophobicContact CB-CB 4.28Å; I296-M301 HydrophobicContact CG2-CE 4.4Å; I296-M301 HydrophobicContact CG2-SD 4.3Å; K299-M301 HydrophobicContact CB-CG 4.07Å; K299-M301 HydrophobicContact CB-SD 4.08Å; K299-M301 PolarHBondContact O-N 3.44Å; M301-K343 HydrophobicContact CE-CD 4.26Å
302	A	97.4	Very high	97	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	20%	0.196	C	C	.	.			trans	-70.5	143.3	-174.9	0	0	0	0	0	112	I42 E45 I46 I296 P304 C351	I42-A302 HydrophobicContact CB-CB 3.81Å; I42-A302 HydrophobicContact CD1-CB 4.04Å; I42-A302 HydrophobicContact CG2-CB 3.94Å; E45-A302 HydrophobicContact CG-CB 3.96Å; I46-A302 HydrophobicContact CG2-CB 3.63Å; I296-A302 HydrophobicContact CD1-CB 4.41Å; A302-P304 WeakPolarHBondContact O-CD 3.11Å; A302-C351 WeakPolarHBondContact O-CB 3.26Å; A302-C351 PolarHBondContact O-SG 3.5Å
303	N	97	Very high	97.2	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.053	20%	0.196	C	C	.	.			trans	-87.5	115.5	170.6	-179.9	2.1	0	0	0	110	T305 T342 D344 L345	N303-T305 PolarHBondContact O-N 3.47Å; N303-T305 WeakPolarHBondContact OD1-CB 2.94Å; N303-T305 PolarHBondContact OD1-N 3.36Å; N303-T305 PolarHBondContact OD1-OG1 3.06Å; N303-T342 HydrophobicContact CB-CG2 4.43Å; N303-T342 WeakPolarHBondContact CB-OG1 3.31Å; N303-D344 WeakPolarHBondContact CB-OD1 3.15Å; N303-D344 WeakPolarHBondContact CB-OD2 3.44Å; N303-D344 PolarHBondContact ND2-OD2 2.91Å; N303-L345 WeakPolarHBondContact ND2-CD1 3.14Å; N303-L345 WeakPolarHBondContact ND2-CG 3.43Å
304	P	97.7	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.			trans	-79.5	-2.7	-179.4	33.9	-36.2	0	0	0	113.7	I46 S49 A302 A306 L307 L308 F354	I46-P304 HydrophobicContact CB-CB 4.02Å; I46-P304 HydrophobicContact CG2-CB 4.12Å; S49-P304 WeakPolarHBondContact OG-CB 3.31Å; S49-P304 VanDerWaalsContact OG-CG 3.31Å; S49-P304 WeakPolarHBondContact OG-CG 3.46Å; A302-P304 WeakPolarHBondContact O-CD 3.11Å; P304-A306 PolarHBondContact O-N 3.29Å; P304-L307 PolarHBondContact O-N 3.04Å; P304-L308 WeakPolarHBondContact O-CB 3.48Å; P304-L308 PolarHBondContact O-N 2.71Å; P304-F354 HydrophobicContact CG-CD1 3.71Å; P304-F354 HydrophobicContact CG-CE1 3.97Å
305	T	97.6	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-54.7	-49.4	-169.5	-61.4	0	0	0	0	113.3	V272 N303 L307 L308 L309 I335 F354	V272-T305 HydrophobicContact CB-CG2 4.22Å; V272-T305 HydrophobicContact CG1-CG2 4.05Å; N303-T305 PolarHBondContact O-N 3.47Å; N303-T305 WeakPolarHBondContact OD1-CB 2.94Å; N303-T305 PolarHBondContact OD1-N 3.36Å; N303-T305 PolarHBondContact OD1-OG1 3.06Å; T305-L307 PolarHBondContact O-N 2.72Å; T305-L308 PolarHBondContact O-N 2.6Å; T305-L309 HydrophobicContact CG2-CD1 3.69Å; T305-L309 HydrophobicContact CG2-CG 4.01Å; T305-L309 WeakPolarHBondContact O-CB 3.32Å; T305-L309 WeakPolarHBondContact O-CG 3.4Å; T305-L309 PolarHBondContact O-N 3.5Å; T305-I335 HydrophobicContact CG2-CD1 4.05Å; T305-F354 WeakPolarHBondContact OG1-CE1 2.97Å; T305-F354 WeakPolarHBondContact OG1-CZ 3.38Å
306	A	97.6	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-46.9	179.5	0	0	0	0	0	112.7	G271 T273 P304 S310	G271-A306 VanDerWaalsContact O-CB 3.26Å; G271-A306 WeakPolarHBondContact O-CB 3.17Å; G271-A306 PolarHBondContact O-N 3.31Å; T273-A306 WeakPolarHBondContact O-CB 3.12Å; P304-A306 PolarHBondContact O-N 3.29Å; A306-S310 WeakPolarHBondContact O-CB 3.01Å; A306-S310 PolarHBondContact O-N 2.96Å; A306-S310 PolarHBondContact O-OG 3.31Å; A306-S310 VanDerWaalsContact O-OG 3.07Å
307	L	98.5	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.7	-38.1	179.1	-172	64.8	0	0	0	111.6	I46 V50 L95 K96 P304 T305 S310 A311	I46-L307 HydrophobicContact CB-CD2 4.42Å; I46-L307 HydrophobicContact CD1-CB 4.03Å; I46-L307 HydrophobicContact CD1-CD2 3.95Å; I46-L307 HydrophobicContact CG1-CB 4.47Å; I46-L307 HydrophobicContact CG1-CD2 3.73Å; V50-L307 HydrophobicContact CG2-CB 4.27Å; V50-L307 HydrophobicContact CG2-CD2 4.17Å; V50-L307 HydrophobicContact CG2-CG 4.07Å; L95-L307 HydrophobicContact CD1-CD1 3.66Å; L95-L307 HydrophobicContact CD1-CG 4.29Å; L95-L307 HydrophobicContact CD2-CG 4.46Å; L95-L307 HydrophobicContact CG-CD1 3.95Å; L95-L307 HydrophobicContact CG-CG 4.43Å; K96-L307 VanDerWaalsContact O-CD1 3.32Å; K96-L307 WeakPolarHBondContact O-CD1 3.14Å; P304-L307 PolarHBondContact O-N 3.04Å; T305-L307 PolarHBondContact O-N 2.72Å; L307-S310 WeakPolarHBondContact O-CB 3.3Å; L307-S310 PolarHBondContact O-N 3.07Å; L307-A311 WeakPolarHBondContact O-CB 3.26Å; L307-A311 PolarHBondContact O-N 2.84Å
308	L	98.7	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-47.6	177.5	-178.8	64	0	0	0	111.7	V50 I53 F54 P304 T305 S310 A311 V312 I327 C331 I358	V50-L308 HydrophobicContact CG1-CD1 4.33Å; V50-L308 HydrophobicContact CG2-CB 4Å; V50-L308 HydrophobicContact CG2-CD1 4.16Å; I53-L308 HydrophobicContact CB-CD1 4.27Å; I53-L308 HydrophobicContact CD1-CD1 3.92Å; I53-L308 HydrophobicContact CD1-CD2 3.76Å; I53-L308 HydrophobicContact CD1-CG 4.45Å; I53-L308 HydrophobicContact CG2-CD1 3.95Å; F54-L308 HydrophobicContact CE2-CD1 4.26Å; P304-L308 WeakPolarHBondContact O-CB 3.48Å; P304-L308 PolarHBondContact O-N 2.71Å; T305-L308 PolarHBondContact O-N 2.6Å; L308-S310 VanDerWaalsContact C-N 3.35Å; L308-A311 CarbonylContact O-C 3.57Å; L308-A311 WeakPolarHBondContact O-CA 3.2Å; L308-A311 WeakPolarHBondContact O-CB 3.27Å; L308-A311 PolarHBondContact O-N 3.3Å; L308-A311 VanDerWaalsContact O-N 3.07Å; L308-V312 WeakPolarHBondContact O-CG2 3.29Å; L308-V312 PolarHBondContact O-N 3.06Å; L308-I327 HydrophobicContact CD1-CG2 3.72Å; L308-I327 HydrophobicContact CD2-CG2 4.45Å; L308-I327 HydrophobicContact CG-CG2 4.18Å; L308-C331 HydrophobicContact CD2-CB 3.95Å; L308-I358 HydrophobicContact CD2-CD1 3.88Å
309	L	98.1	Very high	97.6	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-39	177.5	-68.1	-177.7	0	0	0	111	Q274 T305 A311 V312 M313 F332	Q274-L309 HydrophobicContact CB-CB 3.7Å; Q274-L309 HydrophobicContact CG-CB 4.29Å; Q274-L309 VanDerWaalsContact OE1-C 3.24Å; Q274-L309 PolarHBondContact OE1-O 2.91Å; T305-L309 HydrophobicContact CG2-CD1 3.69Å; T305-L309 HydrophobicContact CG2-CG 4.01Å; T305-L309 WeakPolarHBondContact O-CB 3.32Å; T305-L309 WeakPolarHBondContact O-CG 3.4Å; T305-L309 PolarHBondContact O-N 3.5Å; L309-A311 VanDerWaalsContact C-N 3.28Å; L309-A311 PolarHBondContact O-N 3.01Å; L309-V312 WeakPolarHBondContact O-CA 3.5Å; L309-V312 WeakPolarHBondContact O-CB 3.1Å; L309-V312 PolarHBondContact O-N 3.19Å; L309-V312 VanDerWaalsContact O-N 3.07Å; L309-M313 PolarHBondContact O-N 2.9Å; L309-F332 HydrophobicContact CD1-CE1 4.1Å; L309-F332 HydrophobicContact CD2-CE1 3.92Å; L309-F332 HydrophobicContact CD2-CZ 4.07Å
310	S	98.6	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-38.1	169	-67.7	0	0	0	0	112.7	Q274 S275 F286 E287 A306 L307 L308 M313 M314	Q274-S310 VanDerWaalsContact CA-OG 3.31Å; Q274-S310 WeakPolarHBondContact CA-OG 3.32Å; S275-S310 PolarHBondContact N-OG 3.39Å; S275-S310 PolarHBondContact O-OG 2.92Å; F286-S310 WeakPolarHBondContact CB-O 3.23Å; F286-S310 WeakPolarHBondContact CD1-O 3.24Å; E287-S310 WeakPolarHBondContact O-CB 3.35Å; E287-S310 PolarHBondContact O-OG 3.1Å; A306-S310 WeakPolarHBondContact O-CB 3.01Å; A306-S310 PolarHBondContact O-N 2.96Å; A306-S310 PolarHBondContact O-OG 3.31Å; A306-S310 VanDerWaalsContact O-OG 3.07Å; L307-S310 WeakPolarHBondContact O-CB 3.3Å; L307-S310 PolarHBondContact O-N 3.07Å; L308-S310 VanDerWaalsContact C-N 3.35Å; S310-M313 WeakPolarHBondContact O-CB 3.25Å; S310-M313 PolarHBondContact O-N 2.85Å; S310-M314 PolarHBondContact O-N 3.23Å
311	A	98.6	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70	-31.2	174.2	0	0	0	0	0	112.5	V50 F54 L95 L307 L308 L309 M314 L315	V50-A311 HydrophobicContact CG1-CB 3.8Å; F54-A311 HydrophobicContact CE2-CB 3.75Å; F54-A311 HydrophobicContact CZ-CB 3.52Å; L95-A311 HydrophobicContact CD1-CB 3.84Å; L95-A311 HydrophobicContact CD2-CB 3.79Å; L95-A311 HydrophobicContact CG-CB 4.49Å; L307-A311 WeakPolarHBondContact O-CB 3.26Å; L307-A311 PolarHBondContact O-N 2.84Å; L308-A311 CarbonylContact O-C 3.57Å; L308-A311 WeakPolarHBondContact O-CA 3.2Å; L308-A311 WeakPolarHBondContact O-CB 3.27Å; L308-A311 PolarHBondContact O-N 3.3Å; L308-A311 VanDerWaalsContact O-N 3.07Å; L309-A311 VanDerWaalsContact C-N 3.28Å; L309-A311 PolarHBondContact O-N 3.01Å; A311-M314 VanDerWaalsContact O-CB 3.29Å; A311-M314 WeakPolarHBondContact O-CB 3.42Å; A311-M314 PolarHBondContact O-N 3.44Å; A311-L315 PolarHBondContact O-N 2.94Å
312	V	98.4	Very high	97.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-44.5	169	169.2	0	0	0	0	110.4	L308 L309 M314 L315 R316 A324 I327 E328	L308-V312 WeakPolarHBondContact O-CG2 3.29Å; L308-V312 PolarHBondContact O-N 3.06Å; L309-V312 WeakPolarHBondContact O-CA 3.5Å; L309-V312 WeakPolarHBondContact O-CB 3.1Å; L309-V312 PolarHBondContact O-N 3.19Å; L309-V312 VanDerWaalsContact O-N 3.07Å; V312-M314 PolarHBondContact O-N 2.9Å; V312-L315 PolarHBondContact O-N 3.38Å; V312-R316 WeakPolarHBondContact O-CG 3.46Å; V312-R316 PolarHBondContact O-N 3.26Å; V312-A324 HydrophobicContact CG1-CB 4.03Å; V312-I327 HydrophobicContact CG2-CB 4.15Å; V312-I327 HydrophobicContact CG2-CG2 3.72Å; V312-E328 HydrophobicContact CG1-CB 4.01Å; V312-E328 HydrophobicContact CG1-CG 4.49Å; V312-E328 HydrophobicContact CG2-CB 4.4Å
313	M	98.1	Very high	97.5	Very high	27 Å²	27	26 Å²	26	13%	0.133	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-39.8	173	-66.3	178.4	66.5	0	0	111.6	V124 P126 Q274 F286 L309 S310 R316 H317	V124-M313 HydrophobicContact CB-CE 4.45Å; V124-M313 HydrophobicContact CG1-CE 4.35Å; P126-M313 HydrophobicContact CG-CE 3.99Å; P126-M313 HydrophobicContact CG-SD 4.24Å; Q274-M313 HydrophobicContact CB-CG 4.44Å; Q274-M313 HydrophobicContact CB-SD 3.65Å; Q274-M313 HydrophobicContact CG-CG 4.25Å; Q274-M313 HydrophobicContact CG-SD 3.46Å; Q274-M313 WeakPolarHBondContact CG-SD 3.43Å; F286-M313 HydrophobicContact CD1-CB 3.65Å; F286-M313 HydrophobicContact CE1-CB 3.67Å; L309-M313 PolarHBondContact O-N 2.9Å; S310-M313 WeakPolarHBondContact O-CB 3.25Å; S310-M313 PolarHBondContact O-N 2.85Å; M313-R316 PolarHBondContact O-N 2.94Å; M313-H317 WeakPolarHBondContact O-CB 3.48Å; M313-H317 PolarHBondContact O-N 2.81Å
314	M	98.4	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-49	174.9	-173.8	-174.9	71.5	0	0	111.9	V34 F54 W63 L95 F286 S310 A311 V312 R316 H317 M318	V34-M314 HydrophobicContact CG1-CE 4.04Å; V34-M314 HydrophobicContact CG1-SD 3.57Å; V34-M314 VanDerWaalsContact CG1-SD 3.57Å; V34-M314 HydrophobicContact CG2-CE 4.15Å; V34-M314 HydrophobicContact CG2-SD 4.23Å; F54-M314 HydrophobicContact CE1-CE 4.14Å; W63-M314 HydrophobicContact CH2-CE 3.89Å; W63-M314 HydrophobicContact CZ3-CE 4.05Å; L95-M314 HydrophobicContact CB-SD 4.2Å; F286-M314 HydrophobicContact CB-CB 4.21Å; F286-M314 HydrophobicContact CD1-CB 4.19Å; F286-M314 HydrophobicContact CD2-CB 3.35Å; F286-M314 HydrophobicContact CD2-CG 3.48Å; F286-M314 VanDerWaalsContact CD2-CG 3.48Å; F286-M314 HydrophobicContact CD2-SD 4.3Å; F286-M314 HydrophobicContact CE1-CB 4.47Å; F286-M314 HydrophobicContact CE2-CB 3.7Å; F286-M314 HydrophobicContact CE2-CG 3.7Å; F286-M314 HydrophobicContact CG-CB 3.64Å; F286-M314 HydrophobicContact CG-CG 4.25Å; F286-M314 HydrophobicContact CZ-CB 4.25Å; S310-M314 PolarHBondContact O-N 3.23Å; A311-M314 VanDerWaalsContact O-CB 3.29Å; A311-M314 WeakPolarHBondContact O-CB 3.42Å; A311-M314 PolarHBondContact O-N 3.44Å; V312-M314 PolarHBondContact O-N 2.9Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 3.14Å; M314-H317 CarbonylContact O-C 2.94Å; M314-H317 WeakPolarHBondContact O-CA 3.44Å; M314-H317 WeakPolarHBondContact O-CB 3.24Å; M314-H317 PolarHBondContact O-N 3.22Å; M314-H317 VanDerWaalsContact O-N 3.08Å; M314-M318 HydrophobicContact CE-SD 4.36Å; M314-M318 HydrophobicContact CG-CG 4.49Å; M314-M318 HydrophobicContact CG-SD 3.87Å; M314-M318 VanDerWaalsContact O-CG 3.28Å; M314-M318 WeakPolarHBondContact O-CG 3.3Å; M314-M318 PolarHBondContact O-N 2.68Å; M314-M318 HydrophobicContact SD-SD 4.45Å
315	L	98.2	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-43.4	177.3	-71.6	175.1	0	0	0	111.9	F54 I61 A311 V312 H317 M318 G319 L320 H323 A324 I327	F54-L315 HydrophobicContact CE1-CD1 3.73Å; F54-L315 HydrophobicContact CE1-CD2 3.73Å; F54-L315 HydrophobicContact CE1-CG 3.74Å; F54-L315 HydrophobicContact CE2-CD1 4.31Å; F54-L315 HydrophobicContact CZ-CD1 3.54Å; F54-L315 HydrophobicContact CZ-CD2 4.32Å; F54-L315 HydrophobicContact CZ-CG 3.8Å; I61-L315 HydrophobicContact CD1-CD2 4.25Å; I61-L315 HydrophobicContact CG1-CD2 4.09Å; A311-L315 PolarHBondContact O-N 2.94Å; V312-L315 PolarHBondContact O-N 3.38Å; L315-H317 VanDerWaalsContact C-N 3.32Å; L315-H317 PolarHBondContact O-N 2.64Å; L315-M318 CarbonylContact O-C 3.48Å; L315-M318 PolarHBondContact O-N 3.26Å; L315-M318 VanDerWaalsContact O-N 3.14Å; L315-G319 PolarHBondContact O-N 3.23Å; L315-L320 HydrophobicContact CB-CB 4.2Å; L315-L320 HydrophobicContact CD2-CB 3.99Å; L315-L320 HydrophobicContact CD2-CD1 3.59Å; L315-L320 HydrophobicContact CD2-CG 4.44Å; L315-L320 PolarHBondContact O-N 3.13Å; L315-H323 HydrophobicContact CD1-CB 4.09Å; L315-A324 HydrophobicContact CB-CB 3.76Å; L315-A324 HydrophobicContact CD1-CB 4.44Å; L315-I327 HydrophobicContact CD1-CD1 3.78Å
316	R	96.8	Very high	97.6	Very high	84 Å²	84	28.9 Å²	28.9	32%	0.317	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-41.4	174.9	-64	-175.1	-178.3	-67.4	2.2	111.6	V312 M313 M314 M318 G319 F321 A324 E328	V312-R316 WeakPolarHBondContact O-CG 3.46Å; V312-R316 PolarHBondContact O-N 3.26Å; M313-R316 PolarHBondContact O-N 2.94Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 3.14Å; R316-M318 VanDerWaalsContact C-N 3.25Å; R316-M318 PolarHBondContact O-N 3.38Å; R316-G319 PolarHBondContact O-N 3.38Å; R316-G319 VanDerWaalsContact O-N 3.13Å; R316-F321 HydrophobicContact CB-CD1 4.34Å; R316-F321 HydrophobicContact CB-CE1 4.32Å; R316-F321 HydrophobicContact CG-CD1 4.41Å; R316-F321 WeakPolarHBondContact O-CE1 3.47Å; R316-A324 HydrophobicContact CG-CB 3.52Å; R316-E328 IonicContact CZ-OE2 3.85Å; R316-E328 IonicContact NH2-OE1 2.75Å; R316-E328 IonicContact NH2-OE2 2.74Å; R316-E328 PolarHBondContact NH2-OE2 3.45Å
317	H	95.7	Very high	97.7	Very high	49 Å²	49	28.9 Å²	28.9	23%	0.227	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-29.8	176.4	-165.1	81.6	0	0	0	113	R25 F27 F286 M313 M314 L315 G319	R25-H317 PolarHBondContact NH1-CE1 3.36Å; R25-H317 VanDerWaalsContact NH1-CE1 3.34Å; R25-H317 PolarHBondContact NH1-NE2 3.38Å; F27-H317 WeakPolarHBondContact CE2-O 3.4Å; F27-H317 WeakPolarHBondContact CZ-O 3.4Å; F286-H317 HydrophobicContact CE1-CB 4.46Å; F286-H317 HydrophobicContact CE2-CB 4.24Å; F286-H317 HydrophobicContact CZ-CB 3.58Å; F286-H317 AromaticContact CZ-CG 3.81Å; M313-H317 WeakPolarHBondContact O-CB 3.48Å; M313-H317 PolarHBondContact O-N 2.81Å; M314-H317 CarbonylContact O-C 2.94Å; M314-H317 WeakPolarHBondContact O-CA 3.44Å; M314-H317 WeakPolarHBondContact O-CB 3.24Å; M314-H317 PolarHBondContact O-N 3.22Å; M314-H317 VanDerWaalsContact O-N 3.08Å; L315-H317 VanDerWaalsContact C-N 3.32Å; L315-H317 PolarHBondContact O-N 2.64Å; H317-G319 VanDerWaalsContact C-N 3.3Å
318	M	96.2	Very high	97.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.4	175.1	-64.9	173.4	72.3	0	0	113.8	F27 Q32 V34 I61 M93 M314 L315 R316 L320	F27-M318 VanDerWaalsContact CD2-C 3.44Å; F27-M318 WeakPolarHBondContact CD2-O 3.29Å; F27-M318 HydrophobicContact CE1-CB 4.45Å; F27-M318 VanDerWaalsContact CE2-C 3.43Å; F27-M318 WeakPolarHBondContact CE2-O 3.12Å; F27-M318 VanDerWaalsContact CG-O 3.26Å; F27-M318 WeakPolarHBondContact CG-O 3.48Å; F27-M318 HydrophobicContact CZ-CB 4.45Å; Q32-M318 HydrophobicContact CB-CE 3.6Å; Q32-M318 HydrophobicContact CG-CE 4.16Å; Q32-M318 VanDerWaalsContact OE1-CE 3.26Å; V34-M318 HydrophobicContact CG2-CE 3.91Å; V34-M318 HydrophobicContact CG2-SD 4.02Å; I61-M318 HydrophobicContact CD1-CE 3.45Å; I61-M318 VanDerWaalsContact CD1-CE 3.45Å; I61-M318 HydrophobicContact CD1-SD 3.98Å; M93-M318 HydrophobicContact CB-SD 4.4Å; M93-M318 HydrophobicContact CG-CE 4.45Å; M93-M318 HydrophobicContact CG-CG 3.97Å; M93-M318 HydrophobicContact CG-SD 4.08Å; M93-M318 HydrophobicContact SD-CG 4.16Å; M314-M318 HydrophobicContact CE-SD 4.36Å; M314-M318 HydrophobicContact CG-CG 4.49Å; M314-M318 HydrophobicContact CG-SD 3.87Å; M314-M318 VanDerWaalsContact O-CG 3.28Å; M314-M318 WeakPolarHBondContact O-CG 3.3Å; M314-M318 PolarHBondContact O-N 2.68Å; M314-M318 HydrophobicContact SD-SD 4.45Å; L315-M318 CarbonylContact O-C 3.48Å; L315-M318 PolarHBondContact O-N 3.26Å; L315-M318 VanDerWaalsContact O-N 3.14Å; R316-M318 VanDerWaalsContact C-N 3.25Å; R316-M318 PolarHBondContact O-N 3.38Å; M318-L320 HydrophobicContact CB-CD1 4.27Å; M318-L320 HydrophobicContact CB-CG 4.31Å; M318-L320 HydrophobicContact CE-CD1 4.4Å; M318-L320 PolarHBondContact O-N 3.4Å
319	G	95.1	Very high	97.6	Very high	36 Å²	36	33.4 Å²	33.4	37%	0.371	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	9.2	-176.8	0	0	0	0	0	114.9	L315 R316 H317 F321	L315-G319 PolarHBondContact O-N 3.23Å; R316-G319 PolarHBondContact O-N 3.38Å; R316-G319 VanDerWaalsContact O-N 3.13Å; H317-G319 VanDerWaalsContact C-N 3.3Å; G319-F321 VanDerWaalsContact O-CD2 3.3Å; G319-F321 WeakPolarHBondContact O-CD2 3.43Å; G319-F321 PolarHBondContact O-N 3.03Å; G319-F321 VanDerWaalsContact O-N 3.1Å
320	L	97	Very high	97.6	Very high	28 Å²	28	33.2 Å²	33.2	15%	0.147	18%	0.18	C	C	.	.			trans	-87.4	59.2	178.2	-62.5	172.3	0	0	0	110.4	P60 I61 L315 M318 D322 H323 A324	P60-L320 HydrophobicContact CG-CD1 3.93Å; P60-L320 HydrophobicContact CG-CD2 3.68Å; P60-L320 HydrophobicContact CG-CG 4.47Å; I61-L320 HydrophobicContact CD1-CD1 3.87Å; L315-L320 HydrophobicContact CB-CB 4.2Å; L315-L320 HydrophobicContact CD2-CB 3.99Å; L315-L320 HydrophobicContact CD2-CD1 3.59Å; L315-L320 HydrophobicContact CD2-CG 4.44Å; L315-L320 PolarHBondContact O-N 3.13Å; M318-L320 HydrophobicContact CB-CD1 4.27Å; M318-L320 HydrophobicContact CB-CG 4.31Å; M318-L320 HydrophobicContact CE-CD1 4.4Å; M318-L320 PolarHBondContact O-N 3.4Å; L320-D322 PolarHBondContact O-N 3.08Å; L320-H323 HydrophobicContact CB-CB 4.49Å; L320-A324 WeakPolarHBondContact O-CB 3.45Å; L320-A324 PolarHBondContact O-N 2.9Å
321	F	96.7	Very high	97.6	Very high	118 Å²	118	33.2 Å²	33.2	52%	0.518	18%	0.18	S	C	.	.	H	α-helix	trans	-65.2	-38.2	-170.3	-60.4	-70.1	0	0	0	113.8	R316 G319 A324 A325	R316-F321 HydrophobicContact CB-CD1 4.34Å; R316-F321 HydrophobicContact CB-CE1 4.32Å; R316-F321 HydrophobicContact CG-CD1 4.41Å; R316-F321 WeakPolarHBondContact O-CE1 3.47Å; G319-F321 VanDerWaalsContact O-CD2 3.3Å; G319-F321 WeakPolarHBondContact O-CD2 3.43Å; G319-F321 PolarHBondContact O-N 3.03Å; G319-F321 VanDerWaalsContact O-N 3.1Å; F321-A324 WeakPolarHBondContact O-CB 3.38Å; F321-A324 PolarHBondContact O-N 3.41Å; F321-A325 WeakPolarHBondContact O-CB 3.31Å; F321-A325 PolarHBondContact O-N 2.76Å
322	D	96.9	Very high	97.5	Very high	137 Å²	137	36.4 Å²	36.4	73%	0.733	20%	0.195	S	C	*	.	H	α-helix	trans	-67.3	-45.9	-178.8	-63.5	-21.1	0	0	0	110.9	L320 A324 A325 K326	L320-D322 PolarHBondContact O-N 3.08Å; D322-A324 VanDerWaalsContact C-N 3.32Å; D322-A324 PolarHBondContact O-N 2.91Å; D322-A325 PolarHBondContact O-N 2.87Å; D322-K326 VanDerWaalsContact O-CB 3.26Å; D322-K326 WeakPolarHBondContact O-CB 3.49Å; D322-K326 PolarHBondContact O-N 2.99Å
323	H	98	Very high	97.5	Very high	50 Å²	50	38 Å²	38	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-42.3	173.6	-64.5	91.7	0	0	0	111.8	K58 L315 L320 K326 I327	K58-H323 PolarHBondContact O-NE2 2.92Å; L315-H323 HydrophobicContact CD1-CB 4.09Å; L320-H323 HydrophobicContact CB-CB 4.49Å; H323-K326 PolarHBondContact O-N 3.42Å; H323-I327 WeakPolarHBondContact O-CG1 3.36Å; H323-I327 PolarHBondContact O-N 3.5Å
324	A	98.1	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-50.9	177.3	0	0	0	0	0	111.6	V312 L315 R316 L320 F321 D322 K326 I327 E328	V312-A324 HydrophobicContact CG1-CB 4.03Å; L315-A324 HydrophobicContact CB-CB 3.76Å; L315-A324 HydrophobicContact CD1-CB 4.44Å; R316-A324 HydrophobicContact CG-CB 3.52Å; L320-A324 WeakPolarHBondContact O-CB 3.45Å; L320-A324 PolarHBondContact O-N 2.9Å; F321-A324 WeakPolarHBondContact O-CB 3.38Å; F321-A324 PolarHBondContact O-N 3.41Å; D322-A324 VanDerWaalsContact C-N 3.32Å; D322-A324 PolarHBondContact O-N 2.91Å; A324-K326 VanDerWaalsContact C-N 3.32Å; A324-K326 PolarHBondContact O-N 3.37Å; A324-I327 PolarHBondContact O-N 3.43Å; A324-E328 VanDerWaalsContact O-CB 3.23Å; A324-E328 WeakPolarHBondContact O-CB 3.44Å; A324-E328 PolarHBondContact O-N 3.34Å
325	A	97.9	Very high	97.4	Very high	43 Å²	43	36.8 Å²	36.8	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-40.3	-179.8	0	0	0	0	0	111.9	F321 D322 A329	F321-A325 WeakPolarHBondContact O-CB 3.31Å; F321-A325 PolarHBondContact O-N 2.76Å; D322-A325 PolarHBondContact O-N 2.87Å; A325-A329 WeakPolarHBondContact O-CB 3.21Å; A325-A329 PolarHBondContact O-N 3.3Å
326	K	98.2	Very high	97.3	Very high	27 Å²	27	42 Å²	42	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-49.2	178	-175.3	-179.7	179.1	-170.1	0	112.4	D322 H323 A324 A330 V362 L365 D366	D322-K326 VanDerWaalsContact O-CB 3.26Å; D322-K326 WeakPolarHBondContact O-CB 3.49Å; D322-K326 PolarHBondContact O-N 2.99Å; H323-K326 PolarHBondContact O-N 3.42Å; A324-K326 VanDerWaalsContact C-N 3.32Å; A324-K326 PolarHBondContact O-N 3.37Å; K326-A330 WeakPolarHBondContact O-CB 3.46Å; K326-A330 PolarHBondContact O-N 3.24Å; K326-A330 VanDerWaalsContact O-N 3.08Å; K326-V362 HydrophobicContact CD-CG1 4.31Å; K326-V362 WeakPolarHBondContact CE-O 3.36Å; K326-V362 HydrophobicContact CG-CG1 4.42Å; K326-V362 PolarHBondContact NZ-O 3.19Å; K326-L365 HydrophobicContact CG-CB 4.09Å; K326-L365 HydrophobicContact CG-CD1 4.02Å; K326-D366 IonicContact NZ-OD1 3.68Å; K326-D366 PolarHBondContact NZ-OD1 3.45Å; K326-D366 IonicContact NZ-OD2 2.78Å; K326-D366 PolarHBondContact NZ-OD2 3.36Å
327	I	98.7	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-43.3	179.6	-68.2	170.3	0	0	0	110.9	I53 F54 A57 L308 V312 L315 H323 A324 A330 C331 V362	I53-I327 HydrophobicContact CG2-CG1 4.29Å; I53-I327 HydrophobicContact CG2-CG2 3.88Å; F54-I327 HydrophobicContact CD2-CD1 3.8Å; F54-I327 HydrophobicContact CE2-CD1 3.78Å; F54-I327 HydrophobicContact CG-CD1 4.33Å; F54-I327 HydrophobicContact CZ-CD1 4.3Å; A57-I327 HydrophobicContact CB-CD1 3.74Å; A57-I327 HydrophobicContact CB-CG1 3.71Å; L308-I327 HydrophobicContact CD1-CG2 3.72Å; L308-I327 HydrophobicContact CD2-CG2 4.45Å; L308-I327 HydrophobicContact CG-CG2 4.18Å; V312-I327 HydrophobicContact CG2-CB 4.15Å; V312-I327 HydrophobicContact CG2-CG2 3.72Å; L315-I327 HydrophobicContact CD1-CD1 3.78Å; H323-I327 WeakPolarHBondContact O-CG1 3.36Å; H323-I327 PolarHBondContact O-N 3.5Å; A324-I327 PolarHBondContact O-N 3.43Å; I327-A330 PolarHBondContact O-N 3.25Å; I327-C331 WeakPolarHBondContact O-CB 3.33Å; I327-C331 PolarHBondContact O-N 3.38Å; I327-V362 HydrophobicContact CG1-CG2 4.46Å
328	E	98.1	Very high	97.2	Very high	46 Å²	46	40.3 Å²	40.3	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-48.6	177.8	-174.6	176.4	-106.6	0	0	111.7	V312 R316 A324 A330 C331 F332	V312-E328 HydrophobicContact CG1-CB 4.01Å; V312-E328 HydrophobicContact CG1-CG 4.49Å; V312-E328 HydrophobicContact CG2-CB 4.4Å; R316-E328 IonicContact CZ-OE2 3.85Å; R316-E328 IonicContact NH2-OE1 2.75Å; R316-E328 IonicContact NH2-OE2 2.74Å; R316-E328 PolarHBondContact NH2-OE2 3.45Å; A324-E328 VanDerWaalsContact O-CB 3.23Å; A324-E328 WeakPolarHBondContact O-CB 3.44Å; A324-E328 PolarHBondContact O-N 3.34Å; E328-A330 VanDerWaalsContact C-N 3.33Å; E328-A330 PolarHBondContact O-N 3.49Å; E328-C331 PolarHBondContact O-N 2.9Å; E328-F332 HydrophobicContact CG-CD2 3.81Å; E328-F332 HydrophobicContact CG-CE2 3.4Å; E328-F332 HydrophobicContact CG-CZ 4Å; E328-F332 PolarHBondContact O-N 3.16Å
329	A	98.1	Very high	97.1	Very high	49 Å²	49	47.4 Å²	47.4	41%	0.405	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-42.8	177.7	0	0	0	0	0	111.8	A325 A333 L365	A325-A329 WeakPolarHBondContact O-CB 3.21Å; A325-A329 PolarHBondContact O-N 3.3Å; A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.19Å; A329-L365 HydrophobicContact CB-CD1 4.32Å
330	A	98.5	Very high	97.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.4	0	0	0	0	0	112.3	K326 I327 E328 A333 T334 I358 R361 V362	K326-A330 WeakPolarHBondContact O-CB 3.46Å; K326-A330 PolarHBondContact O-N 3.24Å; K326-A330 VanDerWaalsContact O-N 3.08Å; I327-A330 PolarHBondContact O-N 3.25Å; E328-A330 VanDerWaalsContact C-N 3.33Å; E328-A330 PolarHBondContact O-N 3.49Å; A330-A333 PolarHBondContact O-N 3.08Å; A330-T334 PolarHBondContact O-N 2.56Å; A330-T334 PolarHBondContact O-OG1 2.95Å; A330-T334 VanDerWaalsContact O-OG1 3.06Å; A330-I358 HydrophobicContact CB-CG2 4.12Å; A330-R361 HydrophobicContact CB-CB 3.81Å; A330-V362 HydrophobicContact CB-CB 4.35Å; A330-V362 HydrophobicContact CB-CG2 3.38Å
331	C	98.1	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-52.4	176.7	-179.2	0	0	0	0	111.7	L308 I327 E328 A333 T334 I335 I358	L308-C331 HydrophobicContact CD2-CB 3.95Å; I327-C331 WeakPolarHBondContact O-CB 3.33Å; I327-C331 PolarHBondContact O-N 3.38Å; E328-C331 PolarHBondContact O-N 2.9Å; C331-A333 VanDerWaalsContact C-N 3.33Å; C331-A333 PolarHBondContact O-N 3.1Å; C331-T334 WeakPolarHBondContact O-CB 3.32Å; C331-T334 PolarHBondContact O-N 2.82Å; C331-I335 WeakPolarHBondContact O-CG1 3.37Å; C331-I335 PolarHBondContact O-N 3.25Å; C331-I358 HydrophobicContact CB-CD1 4.28Å
332	F	97.3	Very high	97.2	Very high	68 Å²	68	40.4 Å²	40.4	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-35.7	179.2	-66.6	-26.1	0	0	0	112.6	I130 L309 E328 T334 I335 K336	I130-F332 HydrophobicContact CD1-CE1 4.18Å; I130-F332 HydrophobicContact CG1-CE1 4.06Å; I130-F332 HydrophobicContact CG2-CD1 3.85Å; I130-F332 HydrophobicContact CG2-CE1 4.22Å; L309-F332 HydrophobicContact CD1-CE1 4.1Å; L309-F332 HydrophobicContact CD2-CE1 3.92Å; L309-F332 HydrophobicContact CD2-CZ 4.07Å; E328-F332 HydrophobicContact CG-CD2 3.81Å; E328-F332 HydrophobicContact CG-CE2 3.4Å; E328-F332 HydrophobicContact CG-CZ 4Å; E328-F332 PolarHBondContact O-N 3.16Å; F332-T334 VanDerWaalsContact C-N 3.35Å; F332-T334 PolarHBondContact O-N 2.89Å; F332-I335 PolarHBondContact O-N 3.18Å; F332-K336 WeakPolarHBondContact O-CB 3.36Å; F332-K336 PolarHBondContact O-N 3.45Å
333	A	97.6	Very high	97.1	Very high	33 Å²	33	40.9 Å²	40.9	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-66	-36.3	174.6	0	0	0	0	0	112.4	A329 A330 C331 D337	A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.19Å; A330-A333 PolarHBondContact O-N 3.08Å; C331-A333 VanDerWaalsContact C-N 3.33Å; C331-A333 PolarHBondContact O-N 3.1Å; A333-D337 WeakPolarHBondContact O-CB 3.33Å; A333-D337 PolarHBondContact O-N 3.21Å
334	T	97.9	Very high	96.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-44.4	172	-61.6	0	0	0	0	111.3	A330 C331 F332 D337 G338 F354 E357 I358 R361	A330-T334 PolarHBondContact O-N 2.56Å; A330-T334 PolarHBondContact O-OG1 2.95Å; A330-T334 VanDerWaalsContact O-OG1 3.06Å; C331-T334 WeakPolarHBondContact O-CB 3.32Å; C331-T334 PolarHBondContact O-N 2.82Å; F332-T334 VanDerWaalsContact C-N 3.35Å; F332-T334 PolarHBondContact O-N 2.89Å; T334-D337 PolarHBondContact O-N 2.81Å; T334-G338 PolarHBondContact O-N 3.08Å; T334-F354 HydrophobicContact CG2-CD2 3.6Å; T334-F354 HydrophobicContact CG2-CE2 3.53Å; T334-E357 HydrophobicContact CG2-CB 4.13Å; T334-E357 HydrophobicContact CG2-CG 3.69Å; T334-I358 HydrophobicContact CG2-CG1 4.18Å; T334-I358 WeakPolarHBondContact OG1-CG1 3.23Å; T334-R361 WeakPolarHBondContact OG1-CD 3.36Å; T334-R361 PolarHBondContact OG1-NE 3.49Å
335	I	96.8	Very high	96.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-45.3	178.9	-65.4	169.8	0	0	0	110.7	I130 T305 C331 F332 D337 G338 L341 L345 F354	I130-I335 HydrophobicContact CD1-CD1 4.39Å; I130-I335 HydrophobicContact CG2-CB 4.18Å; I130-I335 HydrophobicContact CG2-CD1 4.01Å; I130-I335 HydrophobicContact CG2-CG2 3.71Å; T305-I335 HydrophobicContact CG2-CD1 4.05Å; C331-I335 WeakPolarHBondContact O-CG1 3.37Å; C331-I335 PolarHBondContact O-N 3.25Å; F332-I335 PolarHBondContact O-N 3.18Å; I335-D337 VanDerWaalsContact C-N 3.33Å; I335-D337 PolarHBondContact O-N 2.79Å; I335-G338 PolarHBondContact O-N 2.92Å; I335-L341 HydrophobicContact CB-CD2 4.36Å; I335-L341 HydrophobicContact CG1-CD2 4.28Å; I335-L341 HydrophobicContact CG2-CD2 4.37Å; I335-L345 HydrophobicContact CG1-CD1 4.39Å; I335-F354 HydrophobicContact CD1-CZ 4.42Å; I335-F354 HydrophobicContact CG1-CE2 4.04Å; I335-F354 HydrophobicContact CG1-CZ 3.99Å
336	K	96.1	Very high	96.4	Very high	111 Å²	111	43.9 Å²	43.9	48%	0.483	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-37.9	178.1	-177.1	177.7	-178.3	163.4	0	113.6	E131 F332 G338	E131-K336 VanDerWaalsContact CD-CE 3.41Å; E131-K336 HydrophobicContact CG-CD 4.28Å; E131-K336 WeakPolarHBondContact OE1-CE 3.33Å; E131-K336 IonicContact OE1-NZ 2.79Å; E131-K336 PolarHBondContact OE1-NZ 2.8Å; E131-K336 WeakPolarHBondContact OE2-CD 3.37Å; E131-K336 WeakPolarHBondContact OE2-CE 3.28Å; E131-K336 IonicContact OE2-NZ 2.82Å; E131-K336 PolarHBondContact OE2-NZ 3.16Å; F332-K336 WeakPolarHBondContact O-CB 3.36Å; F332-K336 PolarHBondContact O-N 3.45Å; K336-G338 VanDerWaalsContact C-N 3.27Å; K336-G338 PolarHBondContact O-N 3.3Å
337	D	95.7	Very high	96.2	Very high	60 Å²	60	43.3 Å²	43.3	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-69.7	-24.9	179.2	-170.2	56	0	0	0	112.8	A333 T334 I335 K339 R361	A333-D337 WeakPolarHBondContact O-CB 3.33Å; A333-D337 PolarHBondContact O-N 3.21Å; T334-D337 PolarHBondContact O-N 2.81Å; I335-D337 VanDerWaalsContact C-N 3.33Å; I335-D337 PolarHBondContact O-N 2.79Å; D337-K339 PolarHBondContact O-N 3.4Å; D337-K339 IonicContact OD1-NZ 2.72Å; D337-K339 PolarHBondContact OD1-NZ 2.97Å; D337-K339 WeakPolarHBondContact OD2-CD 3.3Å; D337-K339 VanDerWaalsContact OD2-CG 3.25Å; D337-K339 WeakPolarHBondContact OD2-CG 3.38Å; D337-K339 IonicContact OD2-NZ 2.87Å; D337-K339 PolarHBondContact OD2-NZ 3.26Å; D337-R361 IonicContact OD2-NH2 3.37Å; D337-R361 PolarHBondContact OD2-NH2 3.45Å
338	G	94.1	Very high	96.1	Very high	36 Å²	36	51 Å²	51	37%	0.371	29%	0.29	S	S	.	.			trans	72.1	-9	173.6	0	0	0	0	0	116.1	T334 I335 K336	T334-G338 PolarHBondContact O-N 3.08Å; I335-G338 PolarHBondContact O-N 2.92Å; K336-G338 VanDerWaalsContact C-N 3.27Å; K336-G338 PolarHBondContact O-N 3.3Å
339	K	95.2	Very high	96	Very high	151 Å²	151	50 Å²	50	66%	0.657	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-37.1	-172	-62.5	-167.3	-165	96.8	0	114.4	D337	D337-K339 PolarHBondContact O-N 3.4Å; D337-K339 IonicContact OD1-NZ 2.72Å; D337-K339 PolarHBondContact OD1-NZ 2.97Å; D337-K339 WeakPolarHBondContact OD2-CD 3.3Å; D337-K339 VanDerWaalsContact OD2-CG 3.25Å; D337-K339 WeakPolarHBondContact OD2-CG 3.38Å; D337-K339 IonicContact OD2-NZ 2.87Å; D337-K339 PolarHBondContact OD2-NZ 3.26Å
340	S	96.4	Very high	96	Very high	21 Å²	21	53.1 Å²	53.1	15%	0.147	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	25.3	-173.6	-56.9	0	0	0	0	113.2	S349 F354	S340-S349 VanDerWaalsContact C-CB 3.43Å; S340-S349 VanDerWaalsContact C-OG 3.23Å; S340-S349 VanDerWaalsContact CA-OG 3.24Å; S340-S349 WeakPolarHBondContact CA-OG 3.31Å; S340-S349 VanDerWaalsContact O-CB 3.31Å; S340-S349 WeakPolarHBondContact O-CB 3.37Å; S340-F354 WeakPolarHBondContact O-CB 3.47Å; S340-F354 WeakPolarHBondContact O-CD2 3.49Å
341	L	96.4	Very high	96	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.068	29%	0.293	C	S	.	.			trans	-74.8	140.8	-174.1	-68.6	-176.3	0	0	0	113.1	I335 L345 G347 N348 S349 F354	I335-L341 HydrophobicContact CB-CD2 4.36Å; I335-L341 HydrophobicContact CG1-CD2 4.28Å; I335-L341 HydrophobicContact CG2-CD2 4.37Å; L341-L345 HydrophobicContact CB-CB 4.08Å; L341-L345 HydrophobicContact CD1-CB 4.25Å; L341-L345 HydrophobicContact CD2-CB 4.06Å; L341-L345 HydrophobicContact CD2-CD1 3.8Å; L341-L345 HydrophobicContact CG-CB 4.36Å; L341-G347 CarbonylContact O-C 3.52Å; L341-G347 VanDerWaalsContact O-C 3.29Å; L341-G347 WeakPolarHBondContact O-CA 3.35Å; L341-N348 PolarHBondContact O-N 3.18Å; L341-N348 VanDerWaalsContact O-N 3.13Å; L341-S349 VanDerWaalsContact O-CB 3.31Å; L341-S349 WeakPolarHBondContact O-CB 3.48Å; L341-S349 PolarHBondContact O-N 3.43Å; L341-F354 HydrophobicContact CD2-CE2 4.16Å
342	T	96.3	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.			trans	-69.7	167.9	168.3	52.8	0	0	0	0	111.5	N303 D344 L345 G346 G347 F354	N303-T342 HydrophobicContact CB-CG2 4.43Å; N303-T342 WeakPolarHBondContact CB-OG1 3.31Å; T342-D344 VanDerWaalsContact CB-OD1 3.27Å; T342-D344 WeakPolarHBondContact CB-OD1 3.37Å; T342-D344 PolarHBondContact O-N 2.72Å; T342-D344 PolarHBondContact OG1-OD1 3.45Å; T342-L345 PolarHBondContact O-N 3.35Å; T342-L345 VanDerWaalsContact O-N 3.12Å; T342-G346 PolarHBondContact O-N 3.3Å; T342-G347 PolarHBondContact O-N 2.88Å; T342-F354 HydrophobicContact CG2-CB 4.31Å
343	K	95	Very high	96.1	Very high	148 Å²	148	54.8 Å²	54.8	64%	0.643	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.3	-39.3	-173	-171.9	177.4	-179.9	-178.9	0	114.2	M301 L345 G346 G347	M301-K343 HydrophobicContact CE-CD 4.26Å; K343-L345 VanDerWaalsContact C-N 3.25Å; K343-L345 PolarHBondContact O-N 2.83Å; K343-G346 PolarHBondContact O-N 2.84Å; K343-G346 VanDerWaalsContact O-N 3.11Å; K343-G347 WeakPolarHBondContact CA-O 3.02Å
344	D	92.8	Very high	96.1	Very high	77 Å²	77	53.2 Å²	53.2	41%	0.412	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66	-27.9	177.4	62.4	-50.8	0	0	0	112.8	Y133 N303 T342 G346	Y133-D344 PolarHBondContact OH-O 3.43Å; N303-D344 WeakPolarHBondContact CB-OD1 3.15Å; N303-D344 WeakPolarHBondContact CB-OD2 3.44Å; N303-D344 PolarHBondContact ND2-OD2 2.91Å; T342-D344 VanDerWaalsContact CB-OD1 3.27Å; T342-D344 WeakPolarHBondContact CB-OD1 3.37Å; T342-D344 PolarHBondContact O-N 2.72Å; T342-D344 PolarHBondContact OG1-OD1 3.45Å; D344-G346 VanDerWaalsContact C-N 3.31Å
345	L	93.7	Very high	96.2	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-86.7	1.2	173.4	-63.2	-178.9	0	0	0	113.4	Y133 V272 N303 I335 L341 T342 K343 F354	Y133-L345 HydrophobicContact CD1-CD2 4.23Å; Y133-L345 HydrophobicContact CD2-CD2 4.12Å; Y133-L345 HydrophobicContact CE1-CD2 3.94Å; Y133-L345 HydrophobicContact CE2-CD2 3.89Å; Y133-L345 HydrophobicContact CG-CD2 4.32Å; V272-L345 HydrophobicContact CG1-CD2 3.64Å; N303-L345 WeakPolarHBondContact ND2-CD1 3.14Å; N303-L345 WeakPolarHBondContact ND2-CG 3.43Å; I335-L345 HydrophobicContact CG1-CD1 4.39Å; L341-L345 HydrophobicContact CB-CB 4.08Å; L341-L345 HydrophobicContact CD1-CB 4.25Å; L341-L345 HydrophobicContact CD2-CB 4.06Å; L341-L345 HydrophobicContact CD2-CD1 3.8Å; L341-L345 HydrophobicContact CG-CB 4.36Å; T342-L345 PolarHBondContact O-N 3.35Å; T342-L345 VanDerWaalsContact O-N 3.12Å; K343-L345 VanDerWaalsContact C-N 3.25Å; K343-L345 PolarHBondContact O-N 2.83Å; L345-F354 HydrophobicContact CD1-CE2 4.49Å; L345-F354 HydrophobicContact CD1-CZ 4.48Å
346	G	92.6	Very high	96.2	Very high	70 Å²	70	58.2 Å²	58.2	72%	0.722	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	7.8	178.2	0	0	0	0	0	115.4	T342 K343 D344	T342-G346 PolarHBondContact O-N 3.3Å; K343-G346 PolarHBondContact O-N 2.84Å; K343-G346 VanDerWaalsContact O-N 3.11Å; D344-G346 VanDerWaalsContact C-N 3.31Å
347	G	94.8	Very high	96.4	Very high	14 Å²	14	54.3 Å²	54.3	14%	0.144	30%	0.301	C	S	.	.			trans	-99.8	-164.7	174.6	0	0	0	0	0	114	L341 T342 K343	L341-G347 CarbonylContact O-C 3.52Å; L341-G347 VanDerWaalsContact O-C 3.29Å; L341-G347 WeakPolarHBondContact O-CA 3.35Å; T342-G347 PolarHBondContact O-N 2.88Å; K343-G347 WeakPolarHBondContact CA-O 3.02Å
348	N	95.8	Very high	96.5	Very high	162 Å²	162	51.4 Å²	51.4	87%	0.866	29%	0.286	S	S	*	.			trans	-131.8	8.6	178.4	-68.2	-61.1	0	0	0	113	L341	L341-N348 PolarHBondContact O-N 3.18Å; L341-N348 VanDerWaalsContact O-N 3.13Å
349	S	97.7	Very high	96.7	Very high	25 Å²	25	50.1 Å²	50.1	18%	0.175	27%	0.271	C	S	.	.			trans	-77.3	155	-177.3	-61.7	0	0	0	0	111.6	S340 L341	S340-S349 VanDerWaalsContact C-CB 3.43Å; S340-S349 VanDerWaalsContact C-OG 3.23Å; S340-S349 VanDerWaalsContact CA-OG 3.24Å; S340-S349 WeakPolarHBondContact CA-OG 3.31Å; S340-S349 VanDerWaalsContact O-CB 3.31Å; S340-S349 WeakPolarHBondContact O-CB 3.37Å; L341-S349 VanDerWaalsContact O-CB 3.31Å; L341-S349 WeakPolarHBondContact O-CB 3.48Å; L341-S349 PolarHBondContact O-N 3.43Å
350	K	98.1	Very high	96.9	Very high	115 Å²	115	48 Å²	48	50%	0.5	26%	0.259	S	S	.	.			trans	-76.2	164.5	172.6	-61.4	-178.3	-174.6	177.2	0	111.4	D300 S352 D353 F354	D300-K350 CarbonylContact O-C 3.55Å; D300-K350 WeakPolarHBondContact O-CA 3.36Å; D300-K350 VanDerWaalsContact O-CB 3.3Å; D300-K350 WeakPolarHBondContact O-CB 3.28Å; D300-K350 WeakPolarHBondContact OD2-CB 3.48Å; D300-K350 VanDerWaalsContact OD2-CD 3.32Å; D300-K350 WeakPolarHBondContact OD2-CD 3.37Å; K350-S352 WeakPolarHBondContact CB-OG 3.4Å; K350-S352 PolarHBondContact O-N 2.61Å; K350-D353 HydrophobicContact CB-CB 4.41Å; K350-D353 WeakPolarHBondContact CB-OD2 3.38Å; K350-D353 PolarHBondContact N-OD2 3.3Å; K350-D353 PolarHBondContact O-N 3.08Å; K350-F354 PolarHBondContact O-N 2.96Å
351	C	98.2	Very high	97	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-44.6	170.2	-179.9	0	0	0	0	110.3	D300 A302 F354 T355	D300-C351 PolarHBondContact O-N 2.8Å; D300-C351 VanDerWaalsContact OD1-CB 3.24Å; D300-C351 WeakPolarHBondContact OD1-CB 3.13Å; D300-C351 PolarHBondContact OD1-N 3.36Å; A302-C351 WeakPolarHBondContact O-CB 3.26Å; A302-C351 PolarHBondContact O-SG 3.5Å; C351-F354 PolarHBondContact O-N 3.27Å; C351-T355 WeakPolarHBondContact O-CB 3.45Å; C351-T355 PolarHBondContact O-N 2.92Å; C351-T355 PolarHBondContact O-OG1 2.92Å
352	S	98.2	Very high	97	Very high	35 Å²	35	48.6 Å²	48.6	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-47	175.6	55.5	0	0	0	0	113.4	D300 K350 T355 E356	D300-S352 WeakPolarHBondContact OD1-CB 3.34Å; D300-S352 PolarHBondContact OD1-N 2.84Å; D300-S352 PolarHBondContact OD1-OG 3.44Å; D300-S352 WeakPolarHBondContact OD2-CB 3.46Å; D300-S352 PolarHBondContact OD2-OG 3.39Å; K350-S352 WeakPolarHBondContact CB-OG 3.4Å; K350-S352 PolarHBondContact O-N 2.61Å; S352-T355 WeakPolarHBondContact O-CB 3.26Å; S352-T355 PolarHBondContact O-N 3.29Å; S352-E356 WeakPolarHBondContact O-CB 3.5Å; S352-E356 WeakPolarHBondContact O-CG 3.29Å; S352-E356 PolarHBondContact O-N 2.82Å
353	D	98.3	Very high	97.1	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.353	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-46.1	178	-60.5	-35.7	0	0	0	111.7	K350 T355 E356 E357	K350-D353 HydrophobicContact CB-CB 4.41Å; K350-D353 WeakPolarHBondContact CB-OD2 3.38Å; K350-D353 PolarHBondContact N-OD2 3.3Å; K350-D353 PolarHBondContact O-N 3.08Å; D353-T355 VanDerWaalsContact C-N 3.33Å; D353-T355 PolarHBondContact O-N 3.34Å; D353-E356 PolarHBondContact O-N 2.91Å; D353-E357 PolarHBondContact O-N 3.14Å
354	F	98.4	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-43.4	176.6	-178.5	-109.5	0	0	0	111.2	P304 T305 T334 I335 S340 L341 T342 L345 K350 C351 E357 I358	P304-F354 HydrophobicContact CG-CD1 3.71Å; P304-F354 HydrophobicContact CG-CE1 3.97Å; T305-F354 WeakPolarHBondContact OG1-CE1 2.97Å; T305-F354 WeakPolarHBondContact OG1-CZ 3.38Å; T334-F354 HydrophobicContact CG2-CD2 3.6Å; T334-F354 HydrophobicContact CG2-CE2 3.53Å; I335-F354 HydrophobicContact CD1-CZ 4.42Å; I335-F354 HydrophobicContact CG1-CE2 4.04Å; I335-F354 HydrophobicContact CG1-CZ 3.99Å; S340-F354 WeakPolarHBondContact O-CB 3.47Å; S340-F354 WeakPolarHBondContact O-CD2 3.49Å; L341-F354 HydrophobicContact CD2-CE2 4.16Å; T342-F354 HydrophobicContact CG2-CB 4.31Å; L345-F354 HydrophobicContact CD1-CE2 4.49Å; L345-F354 HydrophobicContact CD1-CZ 4.48Å; K350-F354 PolarHBondContact O-N 2.96Å; C351-F354 PolarHBondContact O-N 3.27Å; F354-E357 PolarHBondContact O-N 3.16Å; F354-I358 HydrophobicContact CD1-CD1 3.89Å; F354-I358 HydrophobicContact CE1-CD1 3.48Å; F354-I358 VanDerWaalsContact CE1-CD1 3.48Å; F354-I358 HydrophobicContact CE2-CD1 4.37Å; F354-I358 HydrophobicContact CZ-CD1 3.77Å; F354-I358 WeakPolarHBondContact O-CG1 3.4Å; F354-I358 PolarHBondContact O-N 3.29Å; F354-I358 VanDerWaalsContact O-N 3.12Å
355	T	98.7	Very high	97.2	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-45.1	176.5	-56.2	0	0	0	0	111.5	S49 K52 I53 C351 S352 D353 I358 C359	S49-T355 VanDerWaalsContact CB-OG1 3.32Å; S49-T355 WeakPolarHBondContact CB-OG1 3.49Å; S49-T355 WeakPolarHBondContact OG-CG2 3.37Å; S49-T355 PolarHBondContact OG-OG1 3.03Å; K52-T355 HydrophobicContact CB-CG2 4.17Å; K52-T355 HydrophobicContact CD-CG2 3.95Å; K52-T355 HydrophobicContact CG-CG2 4.3Å; I53-T355 HydrophobicContact CD1-CG2 4.09Å; I53-T355 HydrophobicContact CG1-CG2 3.88Å; C351-T355 WeakPolarHBondContact O-CB 3.45Å; C351-T355 PolarHBondContact O-N 2.92Å; C351-T355 PolarHBondContact O-OG1 2.92Å; S352-T355 WeakPolarHBondContact O-CB 3.26Å; S352-T355 PolarHBondContact O-N 3.29Å; D353-T355 VanDerWaalsContact C-N 3.33Å; D353-T355 PolarHBondContact O-N 3.34Å; T355-I358 PolarHBondContact O-N 2.89Å; T355-C359 PolarHBondContact O-N 3.18Å; T355-C359 PolarHBondContact O-SG 2.96Å
356	E	98.5	Very high	96.5	Very high	102 Å²	102	59.5 Å²	59.5	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-39.7	-179.1	-76.9	-179.8	-178	0	0	112.6	K52 S352 D353 C359 R360	K52-E356 VanDerWaalsContact NZ-CG 3.26Å; K52-E356 IonicContact NZ-OE1 2.69Å; K52-E356 PolarHBondContact NZ-OE1 3Å; S352-E356 WeakPolarHBondContact O-CB 3.5Å; S352-E356 WeakPolarHBondContact O-CG 3.29Å; S352-E356 PolarHBondContact O-N 2.82Å; D353-E356 PolarHBondContact O-N 2.91Å; E356-C359 PolarHBondContact O-N 3Å; E356-R360 WeakPolarHBondContact O-CB 3.28Å; E356-R360 PolarHBondContact O-N 2.92Å
357	E	98.5	Very high	96.7	Very high	29 Å²	29	59 Å²	59	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-39.4	175.5	179.3	57.1	-166.7	0	0	111.8	T334 D353 F354 R360 R361	T334-E357 HydrophobicContact CG2-CB 4.13Å; T334-E357 HydrophobicContact CG2-CG 3.69Å; D353-E357 PolarHBondContact O-N 3.14Å; F354-E357 PolarHBondContact O-N 3.16Å; E357-R360 PolarHBondContact O-N 3.44Å; E357-R360 IonicContact OE1-CZ 3.61Å; E357-R360 IonicContact OE1-NE 3.64Å; E357-R360 IonicContact OE1-NH2 2.74Å; E357-R360 PolarHBondContact OE1-NH2 3.17Å; E357-R360 IonicContact OE2-CZ 3.58Å; E357-R360 IonicContact OE2-NE 2.82Å; E357-R360 PolarHBondContact OE2-NE 3.4Å; E357-R360 IonicContact OE2-NH2 3.48Å; E357-R360 PolarHBondContact OE2-NH2 2.88Å; E357-R361 WeakPolarHBondContact O-CG 3.31Å; E357-R361 PolarHBondContact O-N 3.08Å; E357-R361 IonicContact OE1-CZ 2.71Å; E357-R361 IonicContact OE1-NE 3.21Å; E357-R361 PolarHBondContact OE1-NE 2.75Å; E357-R361 IonicContact OE1-NH2 2.86Å; E357-R361 PolarHBondContact OE1-NH2 3.15Å
358	I	98.6	Very high	96.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-48.4	171.7	-64.8	172.5	0	0	0	110.3	I53 L308 A330 C331 T334 F354 T355 R360 R361 V362	I53-I358 HydrophobicContact CD1-CB 4.17Å; I53-I358 HydrophobicContact CD1-CD1 4.11Å; I53-I358 HydrophobicContact CD1-CG2 3.93Å; I53-I358 HydrophobicContact CG1-CB 4.32Å; I53-I358 HydrophobicContact CG1-CG2 3.99Å; I53-I358 HydrophobicContact CG2-CG2 3.83Å; L308-I358 HydrophobicContact CD2-CD1 3.88Å; A330-I358 HydrophobicContact CB-CG2 4.12Å; C331-I358 HydrophobicContact CB-CD1 4.28Å; T334-I358 HydrophobicContact CG2-CG1 4.18Å; T334-I358 WeakPolarHBondContact OG1-CG1 3.23Å; F354-I358 HydrophobicContact CD1-CD1 3.89Å; F354-I358 HydrophobicContact CE1-CD1 3.48Å; F354-I358 VanDerWaalsContact CE1-CD1 3.48Å; F354-I358 HydrophobicContact CE2-CD1 4.37Å; F354-I358 HydrophobicContact CZ-CD1 3.77Å; F354-I358 WeakPolarHBondContact O-CG1 3.4Å; F354-I358 PolarHBondContact O-N 3.29Å; F354-I358 VanDerWaalsContact O-N 3.12Å; T355-I358 PolarHBondContact O-N 2.89Å; I358-R360 VanDerWaalsContact C-N 3.26Å; I358-R360 PolarHBondContact O-N 3.35Å; I358-R361 PolarHBondContact O-N 2.76Å; I358-V362 HydrophobicContact CG2-CG2 4.12Å; I358-V362 WeakPolarHBondContact O-CB 3.11Å; I358-V362 VanDerWaalsContact O-CG2 3.32Å; I358-V362 WeakPolarHBondContact O-CG2 3.4Å; I358-V362 PolarHBondContact O-N 2.6Å
359	C	98.6	Very high	96.8	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.054	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-38.9	178.3	-70.7	0	0	0	0	112.6	A56 T355 E356 K363	A56-C359 HydrophobicContact CB-CB 3.73Å; T355-C359 PolarHBondContact O-N 3.18Å; T355-C359 PolarHBondContact O-SG 2.96Å; E356-C359 PolarHBondContact O-N 3Å; C359-K363 VanDerWaalsContact O-CG 3.31Å; C359-K363 WeakPolarHBondContact O-CG 3.48Å; C359-K363 PolarHBondContact O-N 3.28Å; C359-K363 VanDerWaalsContact O-N 3.13Å
360	R	98.5	Very high	96.8	Very high	108 Å²	108	57.6 Å²	57.6	41%	0.408	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-51.9	175.5	-169.8	-169	67.7	67.7	7	110.5	E356 E357 I358 V362 K363 D364	E356-R360 WeakPolarHBondContact O-CB 3.28Å; E356-R360 PolarHBondContact O-N 2.92Å; E357-R360 PolarHBondContact O-N 3.44Å; E357-R360 IonicContact OE1-CZ 3.61Å; E357-R360 IonicContact OE1-NE 3.64Å; E357-R360 IonicContact OE1-NH2 2.74Å; E357-R360 PolarHBondContact OE1-NH2 3.17Å; E357-R360 IonicContact OE2-CZ 3.58Å; E357-R360 IonicContact OE2-NE 2.82Å; E357-R360 PolarHBondContact OE2-NE 3.4Å; E357-R360 IonicContact OE2-NH2 3.48Å; E357-R360 PolarHBondContact OE2-NH2 2.88Å; I358-R360 VanDerWaalsContact C-N 3.26Å; I358-R360 PolarHBondContact O-N 3.35Å; R360-V362 VanDerWaalsContact C-N 3.35Å; R360-V362 PolarHBondContact O-N 3.12Å; R360-K363 PolarHBondContact O-N 2.89Å; R360-K363 VanDerWaalsContact O-N 3.1Å; R360-D364 IonicContact CZ-OD2 3.67Å; R360-D364 IonicContact NH1-OD2 2.68Å; R360-D364 PolarHBondContact NH1-OD2 3.08Å; R360-D364 VanDerWaalsContact O-CG 3.32Å; R360-D364 PolarHBondContact O-N 2.83Å
361	R	98.4	Very high	96.7	Very high	46 Å²	46	54 Å²	54	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-38	179.1	-71.2	179.1	-173.2	-99.3	-4.6	113.3	A330 T334 D337 E357 I358 K363 D364 L365	A330-R361 HydrophobicContact CB-CB 3.81Å; T334-R361 WeakPolarHBondContact OG1-CD 3.36Å; T334-R361 PolarHBondContact OG1-NE 3.49Å; D337-R361 IonicContact OD2-NH2 3.37Å; D337-R361 PolarHBondContact OD2-NH2 3.45Å; E357-R361 WeakPolarHBondContact O-CG 3.31Å; E357-R361 PolarHBondContact O-N 3.08Å; E357-R361 IonicContact OE1-CZ 2.71Å; E357-R361 IonicContact OE1-NE 3.21Å; E357-R361 PolarHBondContact OE1-NE 2.75Å; E357-R361 IonicContact OE1-NH2 2.86Å; E357-R361 PolarHBondContact OE1-NH2 3.15Å; I358-R361 PolarHBondContact O-N 2.76Å; R361-K363 VanDerWaalsContact C-N 3.3Å; R361-K363 PolarHBondContact O-N 3.11Å; R361-D364 PolarHBondContact O-N 2.93Å; R361-L365 WeakPolarHBondContact O-CG 3.32Å; R361-L365 PolarHBondContact O-N 2.69Å
362	V	97.9	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-45.4	173.1	166.7	0	0	0	0	110	I53 A57 K326 I327 A330 I358 R360 D364 L365	I53-V362 HydrophobicContact CG2-CG2 4.46Å; A57-V362 HydrophobicContact CB-CG1 3.54Å; K326-V362 HydrophobicContact CD-CG1 4.31Å; K326-V362 WeakPolarHBondContact CE-O 3.36Å; K326-V362 HydrophobicContact CG-CG1 4.42Å; K326-V362 PolarHBondContact NZ-O 3.19Å; I327-V362 HydrophobicContact CG1-CG2 4.46Å; A330-V362 HydrophobicContact CB-CB 4.35Å; A330-V362 HydrophobicContact CB-CG2 3.38Å; I358-V362 HydrophobicContact CG2-CG2 4.12Å; I358-V362 WeakPolarHBondContact O-CB 3.11Å; I358-V362 VanDerWaalsContact O-CG2 3.32Å; I358-V362 WeakPolarHBondContact O-CG2 3.4Å; I358-V362 PolarHBondContact O-N 2.6Å; R360-V362 VanDerWaalsContact C-N 3.35Å; R360-V362 PolarHBondContact O-N 3.12Å; V362-D364 VanDerWaalsContact C-N 3.33Å; V362-D364 PolarHBondContact O-N 2.93Å; V362-L365 PolarHBondContact O-N 3.44Å
363	K	97.6	Very high	96.5	Very high	122 Å²	122	59 Å²	59	53%	0.53	28%	0.283	S	S	.	.	H	α-helix	trans	-68.4	-30.9	178.9	-69.7	169.3	-176.6	178.8	0	113.2	C359 R360 R361 L365 D366	C359-K363 VanDerWaalsContact O-CG 3.31Å; C359-K363 WeakPolarHBondContact O-CG 3.48Å; C359-K363 PolarHBondContact O-N 3.28Å; C359-K363 VanDerWaalsContact O-N 3.13Å; R360-K363 PolarHBondContact O-N 2.89Å; R360-K363 VanDerWaalsContact O-N 3.1Å; R361-K363 VanDerWaalsContact C-N 3.3Å; R361-K363 PolarHBondContact O-N 3.11Å; K363-L365 PolarHBondContact O-N 3.14Å; K363-D366 PolarHBondContact O-N 3.31Å
364	D	96	Very high	96.3	Very high	102 Å²	102	58.5 Å²	58.5	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-70.3	-15.1	176.2	-63.9	-17.1	0	0	0	113.2	R360 R361 V362	R360-D364 IonicContact CZ-OD2 3.67Å; R360-D364 IonicContact NH1-OD2 2.68Å; R360-D364 PolarHBondContact NH1-OD2 3.08Å; R360-D364 VanDerWaalsContact O-CG 3.32Å; R360-D364 PolarHBondContact O-N 2.83Å; R361-D364 PolarHBondContact O-N 2.93Å; V362-D364 VanDerWaalsContact C-N 3.33Å; V362-D364 PolarHBondContact O-N 2.93Å
365	L	93.6	Very high	96.1	Very high	98 Å²	98	63.3 Å²	63.3	51%	0.513	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.9	176.4	-67.3	172.6	0	0	0	113.4	K326 A329 R361 V362 K363	K326-L365 HydrophobicContact CG-CB 4.09Å; K326-L365 HydrophobicContact CG-CD1 4.02Å; A329-L365 HydrophobicContact CB-CD1 4.32Å; R361-L365 WeakPolarHBondContact O-CG 3.32Å; R361-L365 PolarHBondContact O-N 2.69Å; V362-L365 PolarHBondContact O-N 3.44Å; K363-L365 PolarHBondContact O-N 3.14Å
366	D	78.9	Confident	95.9	Very high	141 Å²	141	68.7 Å²	68.7	75%	0.754	33%	0.326	S	S	*	.			trans	-87.1	0	166.8	-78.2	-32.3	0	0	0	110.7	K58 K326 K363	K58-D366 IonicContact NZ-OD2 3.33Å; K326-D366 IonicContact NZ-OD1 3.68Å; K326-D366 PolarHBondContact NZ-OD1 3.45Å; K326-D366 IonicContact NZ-OD2 2.78Å; K326-D366 PolarHBondContact NZ-OD2 3.36Å; K363-D366 PolarHBondContact O-N 3.31Å

Retrieved 366 of 366 residues in 1026.3 ms (Link to these results)

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