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Beta-1,3-galactosyltransferase 1

Beta-1,3-galactosyltransferase that transfers galactose from UDP-galactose to substrates with a terminal beta-N-acetylglucosamine (beta-GlcNAc) residue. Involved in the biosynthesis of the carbohydrate moieties of glycolipids and glycoproteins.

AlphaFold DB , UniProt , Accession Q7JK24, Species GORGO (Gorilla gorilla gorilla, Western lowland gorilla), Gene B3GALT1, Length 326 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	61.2	Low	252 Å²	252	125.4 Å²	125.4	100%	1.241	70%	0.695	S	S	*	*				0	27.2	0	-113.5	-179.5	-80.7	0	0	113.2
2	A	44.3	Very low	62.2	Low	100 Å²	100	120.5 Å²	120.5	83%	0.826	67%	0.671	S	S	*	*			trans	-109.2	30.1	-168	0	0	0	0	0	115.7
3	S	63.1	Low	63.1	Low	90 Å²	90	118.5 Å²	118.5	63%	0.629	66%	0.664	S	S	*	*	S	Bend	trans	-109.6	-36.4	-174.7	175	0	0	0	0	115.2
4	K	56.7	Low	63.9	Low	182 Å²	182	116.7 Å²	116.7	79%	0.791	66%	0.657	S	S	*	*	H	α-helix	trans	-74.2	-34.6	-172.5	-71.1	-171.3	175.7	-174	0	114.8	S6	K4-S6 VanDerWaalsContact C-N 3.34Å
5	V	62.5	Low	64.5	Low	105 Å²	105	114 Å²	114	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-71.7	-31.2	-179.1	-176.8	0	0	0	0	111.6	Y9	V5-Y9 HydrophobicContact CG1-CD2 4.21Å; V5-Y9 HydrophobicContact CG1-CE2 4.39Å; V5-Y9 PolarHBondContact O-N 3.17Å
6	S	65.8	Low	64.7	Low	77 Å²	77	118.7 Å²	118.7	54%	0.538	65%	0.651	S	S	.	*	H	α-helix	trans	-68.1	-41.7	-179.9	-168.5	0	0	0	0	112.2	K4 L8 Y9 V10	K4-S6 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 2.94Å; S6-Y9 PolarHBondContact O-N 3.37Å; S6-V10 WeakPolarHBondContact O-CG2 2.95Å; S6-V10 PolarHBondContact O-N 2.75Å; S6-V10 VanDerWaalsContact O-N 3.15Å
7	C	66.2	Low	64.9	Low	83 Å²	83	115.3 Å²	115.3	56%	0.561	64%	0.643	S	S	*	*	H	α-helix	trans	-61.8	-40.4	177.2	-90.4	0	0	0	0	113.3	V10 L11	C7-V10 PolarHBondContact O-N 3.22Å; C7-L11 WeakPolarHBondContact O-CG 2.98Å; C7-L11 PolarHBondContact O-N 2.69Å; C7-L11 VanDerWaalsContact O-N 3.09Å
8	L	64.9	Low	65.1	Low	117 Å²	117	112.7 Å²	112.7	61%	0.613	63%	0.633	S	S	*	*	H	α-helix	trans	-65.7	-41.3	179.3	-87.1	146.1	0	0	0	111.8	S6 L11 T12	S6-L8 PolarHBondContact O-N 2.94Å; L8-L11 PolarHBondContact O-N 2.04Å; L8-T12 WeakPolarHBondContact O-CG2 3.21Å; L8-T12 PolarHBondContact O-N 2.9Å; L8-T12 VanDerWaalsContact O-N 3.12Å
9	Y	68.4	Low	65.2	Low	168 Å²	168	109.3 Å²	109.3	66%	0.659	62%	0.621	S	S	*	*	H	α-helix	trans	-64.5	-43.5	176.4	-98.2	-88.5	0	0	0	112.4	V5 S6 L11 T12 V13	V5-Y9 HydrophobicContact CG1-CD2 4.21Å; V5-Y9 HydrophobicContact CG1-CE2 4.39Å; V5-Y9 PolarHBondContact O-N 3.17Å; S6-Y9 PolarHBondContact O-N 3.37Å; Y9-L11 PolarHBondContact O-N 3.48Å; Y9-T12 PolarHBondContact O-N 3.43Å; Y9-T12 PolarHBondContact O-OG1 2.62Å; Y9-V13 WeakPolarHBondContact O-CG2 3.47Å; Y9-V13 PolarHBondContact O-N 3.32Å
10	V	71.6	Confident	65.2	Low	90 Å²	90	109.9 Å²	109.9	55%	0.545	62%	0.622	S	S	.	*	H	α-helix	trans	-63.4	-41.1	178.2	177.5	0	0	0	0	111.5	S6 C7 T12 V13 V14	S6-V10 WeakPolarHBondContact O-CG2 2.95Å; S6-V10 PolarHBondContact O-N 2.75Å; S6-V10 VanDerWaalsContact O-N 3.15Å; C7-V10 PolarHBondContact O-N 3.22Å; V10-T12 PolarHBondContact O-N 3.3Å; V10-V13 PolarHBondContact O-N 2.93Å; V10-V14 HydrophobicContact CG1-CG2 4.49Å; V10-V14 WeakPolarHBondContact O-CG2 3.1Å; V10-V14 PolarHBondContact O-N 2.77Å; V10-V14 VanDerWaalsContact O-N 3.16Å
11	L	69.4	Low	65.3	Low	115 Å²	115	113 Å²	113	60%	0.602	62%	0.624	S	S	*	*	H	α-helix	trans	-61.7	-43.3	176.9	-79.1	164.5	0	0	0	112.3	C7 L8 Y9 V14 C15	C7-L11 WeakPolarHBondContact O-CG 2.98Å; C7-L11 PolarHBondContact O-N 2.69Å; C7-L11 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 2.04Å; Y9-L11 PolarHBondContact O-N 3.48Å; L11-V14 PolarHBondContact O-N 3.18Å; L11-C15 PolarHBondContact O-N 2.65Å; L11-C15 VanDerWaalsContact O-N 3.12Å; L11-C15 PolarHBondContact O-SG 2.93Å; L11-C15 VanDerWaalsContact O-SG 3.36Å
12	T	73.5	Confident	66.4	Low	67 Å²	67	108.5 Å²	108.5	41%	0.411	59%	0.594	S	S	.	*	H	α-helix	trans	-61.9	-46.8	177.6	58.3	0	0	0	0	112	L8 Y9 V10 V14 C15 W16	L8-T12 WeakPolarHBondContact O-CG2 3.21Å; L8-T12 PolarHBondContact O-N 2.9Å; L8-T12 VanDerWaalsContact O-N 3.12Å; Y9-T12 PolarHBondContact O-N 3.43Å; Y9-T12 PolarHBondContact O-OG1 2.62Å; V10-T12 PolarHBondContact O-N 3.3Å; T12-V14 VanDerWaalsContact C-N 3.34Å; T12-V14 PolarHBondContact O-N 3.4Å; T12-C15 WeakPolarHBondContact O-CB 3.25Å; T12-C15 PolarHBondContact O-N 3.09Å; T12-C15 VanDerWaalsContact O-N 3.16Å; T12-W16 PolarHBondContact O-N 2.93Å; T12-W16 VanDerWaalsContact O-N 3.08Å
13	V	74.1	Confident	67.3	Low	95 Å²	95	111 Å²	111	58%	0.576	59%	0.593	S	S	*	*	H	α-helix	trans	-62.8	-39.9	-178.4	175.6	0	0	0	0	112	Y9 V10 C15 W16 A17	Y9-V13 WeakPolarHBondContact O-CG2 3.47Å; Y9-V13 PolarHBondContact O-N 3.32Å; V10-V13 PolarHBondContact O-N 2.93Å; V13-C15 VanDerWaalsContact C-N 3.35Å; V13-C15 PolarHBondContact O-N 3.23Å; V13-W16 PolarHBondContact O-N 3.21Å; V13-A17 PolarHBondContact O-N 3.08Å; V13-A17 VanDerWaalsContact O-N 3.13Å
14	V	73.8	Confident	67.4	Low	93 Å²	93	110.6 Å²	110.6	56%	0.564	59%	0.59	S	S	*	*	H	α-helix	trans	-65.3	-38.2	176.5	175.5	0	0	0	0	111.4	V10 L11 T12 A17 S18	V10-V14 HydrophobicContact CG1-CG2 4.49Å; V10-V14 WeakPolarHBondContact O-CG2 3.1Å; V10-V14 PolarHBondContact O-N 2.77Å; V10-V14 VanDerWaalsContact O-N 3.16Å; L11-V14 PolarHBondContact O-N 3.18Å; T12-V14 VanDerWaalsContact C-N 3.34Å; T12-V14 PolarHBondContact O-N 3.4Å; V14-A17 PolarHBondContact O-N 3.47Å; V14-S18 PolarHBondContact O-N 2.79Å; V14-S18 VanDerWaalsContact O-N 3.16Å; V14-S18 PolarHBondContact O-OG 2.9Å
15	C	73.1	Confident	67.2	Low	76 Å²	76	106.3 Å²	106.3	51%	0.514	58%	0.575	S	S	.	*	H	α-helix	trans	-65.9	-35.8	175.6	-72.2	0	0	0	0	113.3	L11 T12 V13 S18 A19	L11-C15 PolarHBondContact O-N 2.65Å; L11-C15 VanDerWaalsContact O-N 3.12Å; L11-C15 PolarHBondContact O-SG 2.93Å; L11-C15 VanDerWaalsContact O-SG 3.36Å; T12-C15 WeakPolarHBondContact O-CB 3.25Å; T12-C15 PolarHBondContact O-N 3.09Å; T12-C15 VanDerWaalsContact O-N 3.16Å; V13-C15 VanDerWaalsContact C-N 3.35Å; V13-C15 PolarHBondContact O-N 3.23Å; C15-S18 PolarHBondContact O-OG 3.19Å; C15-S18 VanDerWaalsContact O-OG 3.06Å; C15-A19 WeakPolarHBondContact O-CB 3.26Å; C15-A19 PolarHBondContact O-N 3.04Å
16	W	67.9	Low	66.3	Low	189 Å²	189	107.7 Å²	107.7	72%	0.716	58%	0.583	S	S	*	*	H	α-helix	trans	-70.5	-37.5	175.9	-76	100.9	0	0	0	112.2	T12 V13 A19 L20	T12-W16 PolarHBondContact O-N 2.93Å; T12-W16 VanDerWaalsContact O-N 3.08Å; V13-W16 PolarHBondContact O-N 3.21Å; W16-A19 PolarHBondContact O-N 2.89Å; W16-L20 WeakPolarHBondContact O-CG 3.45Å; W16-L20 PolarHBondContact O-N 3.44Å; W16-L20 VanDerWaalsContact O-N 3.13Å
17	A	68.3	Low	65.5	Low	61 Å²	61	115.2 Å²	115.2	50%	0.504	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-39.5	178.4	0	0	0	0	0	112.6	V13 V14 W21	V13-A17 PolarHBondContact O-N 3.08Å; V13-A17 VanDerWaalsContact O-N 3.13Å; V14-A17 PolarHBondContact O-N 3.47Å; A17-W21 PolarHBondContact O-N 2.89Å; A17-W21 VanDerWaalsContact O-N 3.17Å
18	S	68.1	Low	64.2	Low	68 Å²	68	117.1 Å²	117.1	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-69.9	-36.4	176.9	59	0	0	0	0	112.5	V14 C15 W21 Y22	V14-S18 PolarHBondContact O-N 2.79Å; V14-S18 VanDerWaalsContact O-N 3.16Å; V14-S18 PolarHBondContact O-OG 2.9Å; C15-S18 PolarHBondContact O-OG 3.19Å; C15-S18 VanDerWaalsContact O-OG 3.06Å; S18-W21 PolarHBondContact O-N 3.21Å; S18-Y22 PolarHBondContact O-N 3.1Å
19	A	66.3	Low	62.9	Low	48 Å²	48	118.4 Å²	118.4	40%	0.397	63%	0.625	S	S	.	*	H	α-helix	trans	-64	-41.4	175	0	0	0	0	0	112.4	C15 W16 Y22 L23	C15-A19 WeakPolarHBondContact O-CB 3.26Å; C15-A19 PolarHBondContact O-N 3.04Å; W16-A19 PolarHBondContact O-N 2.89Å; A19-Y22 PolarHBondContact O-N 3.46Å; A19-L23 WeakPolarHBondContact O-CG 3.14Å; A19-L23 PolarHBondContact O-N 3.38Å
20	L	66.4	Low	61.8	Low	121 Å²	121	115 Å²	115	63%	0.634	63%	0.625	S	S	*	*	H	α-helix	trans	-66.9	-38	177	-74.6	168.2	0	0	0	112.4	W16	W16-L20 WeakPolarHBondContact O-CG 3.45Å; W16-L20 PolarHBondContact O-N 3.44Å; W16-L20 VanDerWaalsContact O-N 3.13Å
21	W	66.9	Low	60.1	Low	175 Å²	175	116 Å²	116	66%	0.663	64%	0.636	S	S	*	*	H	α-helix	trans	-66.4	-39.4	174.7	-169.6	72.4	0	0	0	111.8	A17 S18 L23 S24 I25	A17-W21 PolarHBondContact O-N 2.89Å; A17-W21 VanDerWaalsContact O-N 3.17Å; S18-W21 PolarHBondContact O-N 3.21Å; W21-L23 PolarHBondContact O-N 3.32Å; W21-S24 PolarHBondContact O-N 2.84Å; W21-S24 VanDerWaalsContact O-N 3.15Å; W21-S24 PolarHBondContact O-OG 3.43Å; W21-I25 HydrophobicContact CE3-CD1 4.33Å; W21-I25 HydrophobicContact CH2-CD1 4.19Å; W21-I25 HydrophobicContact CZ3-CD1 4.05Å
22	Y	63.9	Low	58.6	Low	159 Å²	159	121 Å²	121	62%	0.624	65%	0.648	S	S	*	*	H	α-helix	trans	-66.8	-33.8	180	-126.7	-90.7	0	0	0	113.8	S18 A19 S24 I25	S18-Y22 PolarHBondContact O-N 3.1Å; A19-Y22 PolarHBondContact O-N 3.46Å; Y22-S24 PolarHBondContact O-N 2.76Å; Y22-I25 PolarHBondContact O-N 3Å
23	L	62.3	Low	56.8	Low	152 Å²	152	124 Å²	124	80%	0.796	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-14.9	176.4	-69.9	172.2	0	0	0	113.1	A19 W21	A19-L23 WeakPolarHBondContact O-CG 3.14Å; A19-L23 PolarHBondContact O-N 3.38Å; W21-L23 PolarHBondContact O-N 3.32Å
24	S	64.7	Low	55.1	Low	82 Å²	82	123.2 Å²	123.2	57%	0.573	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-6.7	178.3	70.9	0	0	0	0	114.4	W21 Y22	W21-S24 PolarHBondContact O-N 2.84Å; W21-S24 VanDerWaalsContact O-N 3.15Å; W21-S24 PolarHBondContact O-OG 3.43Å; Y22-S24 PolarHBondContact O-N 2.76Å
25	I	52.7	Low	53.2	Low	92 Å²	92	124.7 Å²	124.7	47%	0.472	69%	0.692	S	S	.	*	S	Bend	trans	-92.9	111.3	-178.4	-56.8	173.1	0	0	0	109.8	W21 Y22	W21-I25 HydrophobicContact CE3-CD1 4.33Å; W21-I25 HydrophobicContact CH2-CD1 4.19Å; W21-I25 HydrophobicContact CZ3-CD1 4.05Å; Y22-I25 PolarHBondContact O-N 3Å
26	T	44.3	Very low	51.6	Low	133 Å²	133	130.5 Å²	130.5	82%	0.816	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-68.9	127.6	175.9	45.8	0	0	0	0	111.1
27	R	47.9	Very low	50.2	Low	235 Å²	235	127.6 Å²	127.6	89%	0.887	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-78.7	135.4	-178.7	-75.9	-176.9	173.8	-172.4	-2.4	111.8
28	P	39.2	Very low	48.9	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-71	134.2	170.5	-13.6	27.8	0	0	0	111.8
29	T	38.6	Very low	47.4	Very low	144 Å²	144	136.2 Å²	136.2	88%	0.883	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-79	117.7	172.2	43	0	0	0	0	109.8
30	S	44.2	Very low	46	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	77%	0.769	S	S	*	*			trans	-108.7	111.4	172.4	-174.4	0	0	0	0	109.5
31	S	35.7	Very low	44.8	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	78%	0.778	S	S	*	*			trans	-84.9	111.6	169.9	36.8	0	0	0	0	109.2
32	Y	37.9	Very low	43.4	Very low	220 Å²	220	143.2 Å²	143.2	86%	0.863	79%	0.787	S	S	*	*			trans	-94.1	115.6	171.8	-99.6	-92.8	0	0	0	110.4
33	T	37.4	Very low	42.4	Very low	132 Å²	132	142.1 Å²	142.1	81%	0.81	80%	0.797	S	S	*	*			trans	-102	148.4	172.4	46.8	0	0	0	0	110.6
34	G	37.2	Very low	41.4	Very low	78 Å²	78	139 Å²	139	80%	0.804	79%	0.793	S	S	*	*			trans	97.9	89.5	148.5	0	0	0	0	0	117.8
35	S	33.9	Very low	40.2	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	81%	0.809	S	S	*	*			trans	-62.8	132.3	159.5	50	0	0	0	0	112.3
36	K	39.7	Very low	39.7	Very low	199 Å²	199	150.8 Å²	150.8	87%	0.865	82%	0.824	S	S	*	*			trans	-107.2	145.2	162.6	-88.3	-174	177.4	179.2	0	110.8
37	P	37.8	Very low	39.3	Very low	127 Å²	127	152.1 Å²	152.1	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.9	149.2	-172.7	20.1	-7.3	0	0	0	113.2
38	F	41.8	Very low	38.8	Very low	208 Å²	208	147.6 Å²	147.6	91%	0.912	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.8	124.5	-179.9	-92.5	-103	0	0	0	112.3
39	S	37.5	Very low	38.7	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.6	133.9	165.4	50.5	0	0	0	0	110.7	L41	S39-L41 PolarHBondContact O-N 3.4Å
40	H	36.8	Very low	39.3	Very low	192 Å²	192	149.6 Å²	149.6	89%	0.889	81%	0.807	S	S	*	*			trans	-65.9	108.3	175.2	-90.6	-93.1	0	0	0	110.7	T42	H40-T42 PolarHBondContact O-N 2.72Å
41	L	40.9	Very low	39	Very low	158 Å²	158	148.5 Å²	148.5	83%	0.827	81%	0.812	S	S	*	*			trans	-79.7	111.7	168.1	-86.6	152.8	0	0	0	110	S39 V43	S39-L41 PolarHBondContact O-N 3.4Å; L41-V43 PolarHBondContact O-N 3.37Å
42	T	36.8	Very low	39.1	Very low	140 Å²	140	150.1 Å²	150.1	86%	0.859	81%	0.811	S	S	*	*			trans	-70.9	112.2	167.3	33.6	0	0	0	0	109.9	H40 A44	H40-T42 PolarHBondContact O-N 2.72Å; T42-A44 PolarHBondContact O-N 2.92Å
43	V	43.8	Very low	39.5	Very low	136 Å²	136	144.5 Å²	144.5	82%	0.824	80%	0.795	S	S	*	*			trans	-80	111.8	177.3	177.5	0	0	0	0	109.5	L41 R45	L41-V43 PolarHBondContact O-N 3.37Å; V43-R45 PolarHBondContact O-N 3.07Å
44	A	39.9	Very low	40.2	Very low	88 Å²	88	149.4 Å²	149.4	73%	0.727	80%	0.799	S	S	*	*			trans	-64.1	120.8	172.6	0	0	0	0	0	111	T42 K46	T42-A44 PolarHBondContact O-N 2.92Å; A44-K46 PolarHBondContact O-N 2.98Å; A44-K46 VanDerWaalsContact O-N 3.1Å
45	R	39.6	Very low	41.6	Very low	241 Å²	241	150.2 Å²	150.2	91%	0.909	79%	0.789	S	S	*	*			trans	-69	97.6	172.9	-77.9	179.9	169.9	178	-3	110.1	V43	V43-R45 PolarHBondContact O-N 3.07Å
46	K	42	Very low	43.6	Very low	179 Å²	179	153.2 Å²	153.2	78%	0.778	78%	0.781	S	S	*	*			trans	-87.6	121.7	161.5	-86.5	-177.4	174.8	178.1	0	109.1	A44 F48	A44-K46 PolarHBondContact O-N 2.98Å; A44-K46 VanDerWaalsContact O-N 3.1Å; K46-F48 PolarHBondContact O-N 2.71Å
47	N	35.9	Very low	45.6	Very low	162 Å²	162	146.9 Å²	146.9	87%	0.866	76%	0.76	S	S	*	*			trans	-62.2	101.3	176.7	-69.2	-21.5	0	0	0	110.4
48	F	38.9	Very low	47.8	Very low	140 Å²	140	145.8 Å²	145.8	61%	0.614	75%	0.746	S	S	*	*			trans	-82.8	119.9	170.5	-93.5	-93.2	0	0	0	109.4	K46	K46-F48 PolarHBondContact O-N 2.71Å
49	T	36.9	Very low	49.9	Very low	116 Å²	116	137.8 Å²	137.8	71%	0.712	71%	0.713	S	S	*	*			trans	-72.3	129.7	173	43	0	0	0	0	110.4	G51	T49-G51 PolarHBondContact O-N 2.82Å
50	F	49.8	Very low	52.2	Low	193 Å²	193	136.7 Å²	136.7	85%	0.846	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-64.5	-10.1	-169.2	-84.8	-95.3	0	0	0	116
51	G	38.3	Very low	54.7	Low	74 Å²	74	128.1 Å²	128.1	76%	0.763	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-81.1	-16.8	-172.7	0	0	0	0	0	116.3	T49	T49-G51 PolarHBondContact O-N 2.82Å
52	N	37.9	Very low	57.1	Low	143 Å²	143	125.5 Å²	125.5	77%	0.765	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-121.5	16.5	-171.8	-91.5	-18.9	0	0	0	114.7	R54	N52-R54 PolarHBondContact O-N 3.16Å
53	I	46.7	Very low	59.9	Low	103 Å²	103	121.7 Å²	121.7	53%	0.528	63%	0.63	S	S	.	*			trans	-74.3	69	164.4	-50.6	175.8	0	0	0	107.6	T55	I53-T55 VanDerWaalsContact C-N 3.29Å; I53-T55 PolarHBondContact O-N 3.39Å
54	R	53.3	Low	62.5	Low	235 Å²	235	121.8 Å²	121.8	89%	0.887	62%	0.622	S	S	*	*			trans	-52.5	109	145.8	-77.7	-176.8	171.3	-172.6	-0.8	104.1	N52 R56	N52-R54 PolarHBondContact O-N 3.16Å; R54-R56 PolarHBondContact O-N 3.32Å
55	T	65	Low	65.2	Low	95 Å²	95	119 Å²	119	58%	0.583	59%	0.593	S	S	*	*			trans	-43.9	104.2	-167.6	48.9	0	0	0	0	110.1	I53 H257	I53-T55 VanDerWaalsContact C-N 3.29Å; I53-T55 PolarHBondContact O-N 3.39Å; T55-H257 PolarHBondContact O-CE1 3.49Å; T55-H257 VanDerWaalsContact O-CE1 3.22Å
56	R	76.3	Confident	68	Low	186 Å²	186	112 Å²	112	70%	0.702	57%	0.574	S	S	*	*			trans	-54	134.2	174.9	-73.5	-175.8	176.6	-175.7	-1.8	107.4	R54 I58	R54-R56 PolarHBondContact O-N 3.32Å; R56-I58 PolarHBondContact O-N 3.29Å
57	P	81.4	Confident	70.7	Confident	65 Å²	65	104.8 Å²	104.8	42%	0.422	54%	0.543	S	S	.	.			trans	-50.1	129.5	171.4	-27.6	35.7	0	0	0	109.8	P60 L256	P57-P60 HydrophobicContact CB-CB 4.37Å; P57-L256 CarbonylContact C-O 3.46Å; P57-L256 VanDerWaalsContact CA-O 3.3Å; P57-L256 WeakPolarHBondContact CA-O 3.27Å; P57-L256 HydrophobicContact CB-CB 4.36Å
58	I	85.2	Confident	73.6	Confident	104 Å²	104	98.9 Å²	98.9	53%	0.533	51%	0.512	S	S	.	.	S	Bend	trans	-72.5	-40.2	175.7	-60.5	177.7	0	0	0	109	R56 L256	R56-I58 PolarHBondContact O-N 3.29Å; I58-L256 PolarHBondContact N-O 3.25Å
59	N	84.4	Confident	76.3	Confident	40 Å²	40	94 Å²	94	21%	0.214	49%	0.491	C	S	.	.	S	Bend	trans	-127.7	86.6	176	-33.6	-82.7	0	0	0	108.3	H61 S255 L256 T258 L260	N59-H61 PolarHBondContact O-N 2.95Å; N59-S255 PolarHBondContact ND2-O 3.39Å; N59-L256 PolarHBondContact N-O 2.91Å; N59-T258 PolarHBondContact ND2-O 3.12Å; N59-L260 WeakPolarHBondContact OD1-CB 3.09Å; N59-L260 PolarHBondContact OD1-N 3.16Å
60	P	86.2	Confident	79.2	Confident	81 Å²	81	91.1 Å²	91.1	53%	0.526	47%	0.474	S	S	.	.			trans	-61.9	121.4	170.2	26.1	-32.1	0	0	0	109.3	P57 S62	P57-P60 HydrophobicContact CB-CB 4.37Å; P60-S62 VanDerWaalsContact C-N 3.27Å; P60-S62 PolarHBondContact O-N 3.1Å
61	H	90	Very high	81.4	Confident	11 Å²	11	87.1 Å²	87.1	5%	0.051	46%	0.461	C	S	.	.			trans	-88.9	65.4	175.1	-165.8	95.8	0	0	0	109.4	N59 F63 E143 L154 R161 Y252 L256	N59-H61 PolarHBondContact O-N 2.95Å; H61-F63 VanDerWaalsContact C-N 3.31Å; H61-F63 AromaticContact CE1-CD2 3.85Å; H61-F63 AromaticContact NE2-CD2 3.85Å; H61-F63 PolarHBondContact O-N 3Å; H61-E143 IonicContact CD2-OE1 2.79Å; H61-E143 PolarHBondContact CD2-OE1 2.85Å; H61-E143 IonicContact CD2-OE2 3.42Å; H61-E143 IonicContact CE1-OE2 3.6Å; H61-E143 PolarHBondContact CE1-OE2 2.89Å; H61-E143 VanDerWaalsContact NE2-CD 3.31Å; H61-E143 IonicContact NE2-OE1 3.46Å; H61-E143 PolarHBondContact NE2-OE1 2.89Å; H61-E143 VanDerWaalsContact NE2-OE1 3.15Å; H61-E143 IonicContact NE2-OE2 3.57Å; H61-E143 PolarHBondContact NE2-OE2 3.14Å; H61-L154 PolarHBondContact CE1-O 3.47Å; H61-R161 PolarHBondContact O-NH1 2.92Å; H61-Y252 HydrophobicContact CB-CE2 3.99Å; H61-L256 HydrophobicContact CB-CD2 4.26Å
62	S	90.5	Very high	84.1	Confident	104 Å²	104	86.3 Å²	86.3	73%	0.727	44%	0.437	S	S	*	.			trans	-94.8	36.5	-172.1	60.9	0	0	0	0	113.2	P60	P60-S62 VanDerWaalsContact C-N 3.27Å; P60-S62 PolarHBondContact O-N 3.1Å
63	F	96.3	Very high	86.9	Confident	59 Å²	59	79.9 Å²	79.9	26%	0.259	40%	0.403	S	S	.	.			trans	-84.7	147.1	175.8	-56.1	-78.4	0	0	0	110.3	H61 E143 D144 F145 L154 R161	H61-F63 VanDerWaalsContact C-N 3.31Å; H61-F63 AromaticContact CE1-CD2 3.85Å; H61-F63 AromaticContact NE2-CD2 3.85Å; H61-F63 PolarHBondContact O-N 3Å; F63-E143 VanDerWaalsContact CB-CD 3.45Å; F63-E143 HydrophobicContact CB-CG 3.5Å; F63-E143 VanDerWaalsContact CB-CG 3.5Å; F63-D144 WeakPolarHBondContact CA-OD1 3.31Å; F63-D144 WeakPolarHBondContact CB-OD1 3.32Å; F63-D144 VanDerWaalsContact CD1-OD1 3.28Å; F63-D144 WeakPolarHBondContact CD1-OD1 2.97Å; F63-F145 HydrophobicContact CD1-CB 3.87Å; F63-F145 HydrophobicContact CD2-CD1 4.25Å; F63-F145 HydrophobicContact CE1-CB 3.72Å; F63-F145 HydrophobicContact CE2-CB 4.48Å; F63-F145 HydrophobicContact CG-CB 4.32Å; F63-F145 HydrophobicContact CG-CD1 4.23Å; F63-F145 HydrophobicContact CZ-CB 4.05Å; F63-L154 HydrophobicContact CE2-CD1 3.97Å; F63-L154 HydrophobicContact CE2-CD2 4.05Å; F63-L154 HydrophobicContact CZ-CD1 3.95Å; F63-R161 PolarHBondContact O-NH1 3.19Å
64	E	97.1	Very high	89.1	Confident	138 Å²	138	81.6 Å²	81.6	65%	0.645	41%	0.409	S	S	*	.			trans	-90.2	141.6	179.3	-177.1	175	-176.9	0	0	110.7	L66 E143 D144	E64-L66 PolarHBondContact O-N 2.98Å; E64-E143 CarbonylContact O-C 3.6Å; E64-E143 VanDerWaalsContact O-CA 3.25Å; E64-E143 WeakPolarHBondContact O-CA 3.25Å; E64-E143 WeakPolarHBondContact O-CG 3.34Å; E64-D144 PolarHBondContact N-OD1 3.39Å; E64-D144 PolarHBondContact O-N 3.34Å
65	F	98.2	Very high	90.8	Very high	29 Å²	29	79.4 Å²	79.4	13%	0.127	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.1	170.3	-66.4	-70.9	0	0	0	109.7	N68 I141 V142 E143 M158 W162 F166	F65-N68 HydrophobicContact CB-CB 3.66Å; F65-N68 WeakPolarHBondContact CD2-OD1 3.33Å; F65-N68 HydrophobicContact CG-CB 4.13Å; F65-N68 WeakPolarHBondContact CG-OD1 3.06Å; F65-I141 HydrophobicContact CD1-CG2 3.75Å; F65-I141 HydrophobicContact CE1-CG2 3.79Å; F65-V142 CarbonylContact C-O 3.49Å; F65-V142 WeakPolarHBondContact CA-O 3.3Å; F65-E143 HydrophobicContact CD1-CB 4.22Å; F65-E143 HydrophobicContact CD1-CG 4.15Å; F65-E143 HydrophobicContact CE1-CG 4.44Å; F65-M158 HydrophobicContact CE1-CG 3.76Å; F65-W162 HydrophobicContact CE1-CB 4.47Å; F65-W162 AromaticContact CE1-CD1 3.98Å; F65-W162 HydrophobicContact CZ-CB 4.26Å; F65-F166 HydrophobicContact CE2-CE2 4.26Å
66	L	98.1	Very high	92	Very high	96 Å²	96	79.4 Å²	79.4	50%	0.503	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-33.5	171.1	-56.7	178.8	0	0	0	110.9	E64 K120 V142 D144	E64-L66 PolarHBondContact O-N 2.98Å; L66-K120 HydrophobicContact CD1-CB 4.12Å; L66-V142 HydrophobicContact CB-CB 4.26Å; L66-V142 HydrophobicContact CB-CG1 4.21Å; L66-V142 HydrophobicContact CD1-CG1 4.14Å; L66-V142 PolarHBondContact N-O 3.34Å; L66-D144 HydrophobicContact CD1-CB 4.1Å; L66-D144 HydrophobicContact CD2-CB 4.05Å; L66-D144 HydrophobicContact CG-CB 4.03Å
67	I	98.5	Very high	92.9	Very high	26 Å²	26	74.6 Å²	74.6	13%	0.133	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.7	172.7	-48.7	-177.6	0	0	0	107.3	V130 I140 I141 V142	I67-V130 HydrophobicContact CD1-CG1 4.34Å; I67-I140 WeakPolarHBondContact CG2-O 3.37Å; I67-I141 WeakPolarHBondContact O-CA 3.09Å; I67-V142 HydrophobicContact CB-CB 4.06Å; I67-V142 HydrophobicContact CB-CG2 4Å; I67-V142 HydrophobicContact CD1-CB 4.31Å; I67-V142 HydrophobicContact CD1-CG2 3.64Å; I67-V142 HydrophobicContact CG1-CB 4.01Å; I67-V142 HydrophobicContact CG1-CG2 3.87Å; I67-V142 PolarHBondContact N-O 3.28Å; I67-V142 VanDerWaalsContact N-O 3.13Å; I67-V142 PolarHBondContact O-N 3.32Å
68	N	95.8	Very high	93.7	Very high	39 Å²	39	71.7 Å²	71.7	21%	0.209	37%	0.371	C	S	.	.			trans	-134.2	-18.1	-162	-164.7	20	0	0	0	116.8	F65 P70 I141 W162 F166	F65-N68 HydrophobicContact CB-CB 3.66Å; F65-N68 WeakPolarHBondContact CD2-OD1 3.33Å; F65-N68 HydrophobicContact CG-CB 4.13Å; F65-N68 WeakPolarHBondContact CG-OD1 3.06Å; N68-P70 VanDerWaalsContact C-CD 3.44Å; N68-P70 VanDerWaalsContact C-N 3.31Å; N68-I141 WeakPolarHBondContact O-CD1 3.43Å; N68-W162 PolarHBondContact O-NE1 2.94Å; N68-W162 VanDerWaalsContact OD1-CD1 3.29Å; N68-W162 PolarHBondContact OD1-NE1 2.84Å; N68-F166 WeakPolarHBondContact ND2-CZ 3.22Å; N68-F166 VanDerWaalsContact OD1-CE2 3.24Å; N68-F166 WeakPolarHBondContact OD1-CE2 3.14Å
69	E	97.1	Very high	94.3	Very high	37 Å²	37	68 Å²	68	17%	0.173	35%	0.351	C	S	.	.			trans	39.7	45.2	179.7	-59.6	-57.8	152.9	0	0	116.8	N71 K72 H138 I141 W162	E69-N71 PolarHBondContact O-N 3.24Å; E69-K72 HydrophobicContact CB-CB 4.49Å; E69-K72 WeakPolarHBondContact O-CB 3.5Å; E69-K72 PolarHBondContact O-N 3.11Å; E69-K72 VanDerWaalsContact O-N 3.12Å; E69-H138 WeakPolarHBondContact OE1-CA 3.42Å; E69-H138 IonicContact OE1-CG 3.84Å; E69-H138 IonicContact OE1-ND1 3.7Å; E69-H138 PolarHBondContact OE1-ND1 3.3Å; E69-H138 IonicContact OE2-CG 3.48Å; E69-H138 IonicContact OE2-ND1 2.68Å; E69-I141 HydrophobicContact CB-CD1 3.83Å; E69-I141 HydrophobicContact CG-CD1 4.15Å; E69-W162 WeakPolarHBondContact O-CZ2 3.43Å
70	P	97	Very high	95	Very high	56 Å²	56	66.1 Å²	66.1	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.8	-165.1	26.3	-36.4	0	0	0	114.2	N68 F166	N68-P70 VanDerWaalsContact C-CD 3.44Å; N68-P70 VanDerWaalsContact C-N 3.31Å; P70-F166 HydrophobicContact CB-CD1 3.79Å; P70-F166 HydrophobicContact CB-CE1 3.6Å; P70-F166 HydrophobicContact CB-CZ 4.17Å
71	N	96.2	Very high	95.6	Very high	108 Å²	108	62.3 Å²	62.3	58%	0.578	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.2	-174	-54.7	-25.7	0	0	0	113.2	E69 C73 E74	E69-N71 PolarHBondContact O-N 3.24Å; N71-C73 PolarHBondContact O-N 3.27Å; N71-C73 VanDerWaalsContact O-N 3.12Å; N71-E74 WeakPolarHBondContact O-CB 3.39Å; N71-E74 PolarHBondContact O-N 3.13Å; N71-E74 VanDerWaalsContact O-N 3.1Å
72	K	95.4	Very high	96	Very high	57 Å²	57	61.8 Å²	61.8	25%	0.248	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.7	-174.1	-173.5	79.2	172.6	-173.3	0	113.3	E69 E104 A113 L115 H138 W162	E69-K72 HydrophobicContact CB-CB 4.49Å; E69-K72 WeakPolarHBondContact O-CB 3.5Å; E69-K72 PolarHBondContact O-N 3.11Å; E69-K72 VanDerWaalsContact O-N 3.12Å; K72-E104 WeakPolarHBondContact CE-OE1 3.3Å; K72-E104 IonicContact NZ-OE1 2.84Å; K72-E104 PolarHBondContact NZ-OE1 2.63Å; K72-E104 IonicContact NZ-OE2 3.89Å; K72-A113 HydrophobicContact CG-CB 4.33Å; K72-L115 HydrophobicContact CG-CD2 4.37Å; K72-H138 PolarHBondContact NZ-O 3.24Å; K72-W162 HydrophobicContact CB-CH2 4.04Å; K72-W162 HydrophobicContact CB-CZ2 4.29Å; K72-W162 HydrophobicContact CG-CH2 4.47Å
73	C	96.1	Very high	96.4	Very high	9 Å²	9	57 Å²	57	6%	0.061	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	3	-179.4	-69.2	0	0	0	0	114.7	N71 P78 F166 C167	N71-C73 PolarHBondContact O-N 3.27Å; N71-C73 VanDerWaalsContact O-N 3.12Å; C73-P78 VanDerWaalsContact SG-CG 3.57Å; C73-F166 VanDerWaalsContact CB-O 3.3Å; C73-F166 WeakPolarHBondContact CB-O 3.25Å; C73-C167 HydrophobicContact CB-CB 3.79Å; C73-C167 WeakPolarHBondContact CB-SG 3.18Å; C73-C167 WeakPolarHBondContact SG-CB 3.49Å; C73-C167 CovalentContact SG-SG 2.02Å; C73-C167 PolarHBondContact SG-SG 3.46Å
74	E	92.1	Very high	96.5	Very high	138 Å²	138	54.1 Å²	54.1	65%	0.645	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-50	-171.6	-172.9	-176.1	-171.8	0	0	111.7	N71	N71-E74 WeakPolarHBondContact O-CB 3.39Å; N71-E74 PolarHBondContact O-N 3.13Å; N71-E74 VanDerWaalsContact O-N 3.1Å
75	K	90.2	Very high	96.6	Very high	190 Å²	190	47.9 Å²	47.9	83%	0.826	24%	0.239	S	C	*	.	S	Bend	trans	-78.7	-37.8	-176.1	-67.1	-178.6	180	175.8	0	113.2
76	N	90.4	Very high	96.6	Very high	94 Å²	94	46.6 Å²	46.6	50%	0.503	23%	0.233	S	C	.	.	S	Bend	trans	-129.9	114.8	-175.8	-68.6	-63.1	0	0	0	109.3	P78 K111	N76-P78 VanDerWaalsContact O-CD 3.23Å; N76-P78 WeakPolarHBondContact O-CD 3.23Å; N76-K111 HydrophobicContact CB-CG 4.44Å
77	I	95.3	Very high	96.6	Very high	85 Å²	85	44.5 Å²	44.5	44%	0.436	23%	0.225	S	C	.	.			trans	-70.1	116	176.3	-60.2	167	0	0	0	108.3	K169	I77-K169 HydrophobicContact CD1-CB 3.97Å; I77-K169 HydrophobicContact CD1-CD 3.66Å; I77-K169 HydrophobicContact CD1-CG 4.46Å; I77-K169 HydrophobicContact CG1-CB 4.11Å; I77-K169 HydrophobicContact CG1-CD 4.27Å; I77-K169 HydrophobicContact CG2-CB 3.64Å; I77-K169 VanDerWaalsContact CG2-O 3.22Å; I77-K169 WeakPolarHBondContact CG2-O 3.48Å
78	P	97.4	Very high	96.6	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.032	22%	0.22	C	C	.	.			trans	-70.9	143.1	-179.8	29	-33.8	0	0	0	111	C73 N76 V81 K111 A113 A170	C73-P78 VanDerWaalsContact SG-CG 3.57Å; N76-P78 VanDerWaalsContact O-CD 3.23Å; N76-P78 WeakPolarHBondContact O-CD 3.23Å; P78-V81 HydrophobicContact CB-CG2 4.23Å; P78-V81 HydrophobicContact CG-CG2 3.57Å; P78-K111 CarbonylContact C-O 3.54Å; P78-A113 HydrophobicContact CB-CB 4.16Å; P78-A113 HydrophobicContact CG-CB 4.34Å; P78-A170 HydrophobicContact CG-CB 4.01Å; P78-A170 VanDerWaalsContact O-CA 3.26Å; P78-A170 WeakPolarHBondContact O-CA 3.29Å
79	F	98.3	Very high	96.7	Very high	27 Å²	27	49.8 Å²	49.8	12%	0.118	25%	0.245	C	C	.	.	S	Bend	trans	-67.6	-42.7	164.5	175.9	-102.1	0	0	0	110.5	I110 K111 K171 Y172 L192 P194	F79-I110 HydrophobicContact CB-CG2 3.8Å; F79-I110 HydrophobicContact CD1-CG2 3.68Å; F79-I110 HydrophobicContact CG-CG2 3.96Å; F79-K111 WeakPolarHBondContact CB-O 3.32Å; F79-K111 PolarHBondContact N-O 3.11Å; F79-K171 HydrophobicContact CD2-CB 4.07Å; F79-K171 HydrophobicContact CD2-CG 4.02Å; F79-K171 HydrophobicContact CE2-CB 4.31Å; F79-K171 WeakPolarHBondContact O-CB 3.23Å; F79-K171 PolarHBondContact O-N 3.25Å; F79-Y172 HydrophobicContact CE1-CD2 4.14Å; F79-Y172 HydrophobicContact CE2-CD2 4.04Å; F79-Y172 AromaticContact CE2-CE2 3.99Å; F79-Y172 HydrophobicContact CE2-CE2 3.99Å; F79-Y172 AromaticContact CZ-CD2 3.74Å; F79-Y172 HydrophobicContact CZ-CD2 3.74Å; F79-Y172 AromaticContact CZ-CE2 3.77Å; F79-Y172 HydrophobicContact CZ-CE2 3.77Å; F79-Y172 PolarHBondContact O-N 3.41Å; F79-L192 HydrophobicContact CE1-CB 3.81Å; F79-L192 HydrophobicContact CE1-CD1 3.83Å; F79-L192 HydrophobicContact CE1-CG 4.49Å; F79-L192 HydrophobicContact CZ-CB 3.78Å; F79-L192 HydrophobicContact CZ-CD1 4.46Å; F79-P194 HydrophobicContact CD2-CB 4.48Å; F79-P194 HydrophobicContact CE1-CB 4.46Å; F79-P194 HydrophobicContact CE1-CG 3.95Å; F79-P194 HydrophobicContact CE2-CB 3.94Å; F79-P194 HydrophobicContact CE2-CG 4.28Å; F79-P194 HydrophobicContact CZ-CB 3.92Å; F79-P194 HydrophobicContact CZ-CG 3.76Å
80	L	98.7	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.8	-178.2	177.1	63.5	0	0	0	110.2	I82 K111 I112 A113 Y172 M174 M184 L187 L192 I242	L80-I82 HydrophobicContact CD2-CD1 4.16Å; L80-I82 HydrophobicContact CD2-CG1 3.95Å; L80-I82 HydrophobicContact CG-CG1 3.93Å; L80-K111 PolarHBondContact N-O 3.49Å; L80-I112 VanDerWaalsContact O-CA 3.31Å; L80-I112 WeakPolarHBondContact O-CA 3.34Å; L80-A113 PolarHBondContact O-N 3.17Å; L80-Y172 WeakPolarHBondContact CA-O 3.43Å; L80-M174 HydrophobicContact CD1-CB 4.25Å; L80-M184 HydrophobicContact CD2-CE 3.86Å; L80-L187 HydrophobicContact CD2-CD2 3.83Å; L80-L187 HydrophobicContact CD2-CG 4.45Å; L80-L192 HydrophobicContact CD1-CD1 4.11Å; L80-L192 HydrophobicContact CD2-CD1 4.39Å; L80-I242 HydrophobicContact CD1-CD1 4.44Å
81	V	98.8	Very high	96.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.9	164.5	-176.8	0	0	0	0	108.5	P78 L83 A113 L115 V163 C167 A170 Y172 V173 M174	P78-V81 HydrophobicContact CB-CG2 4.23Å; P78-V81 HydrophobicContact CG-CG2 3.57Å; V81-L83 HydrophobicContact CG1-CD2 3.87Å; V81-L83 HydrophobicContact CG1-CG 4.36Å; V81-A113 CarbonylContact C-O 3.46Å; V81-A113 WeakPolarHBondContact CA-O 3.45Å; V81-A113 HydrophobicContact CG2-CB 4.46Å; V81-L115 HydrophobicContact CG1-CD1 4.03Å; V81-V163 HydrophobicContact CB-CG2 4.38Å; V81-V163 HydrophobicContact CG1-CG2 3.94Å; V81-C167 HydrophobicContact CG2-CB 4.09Å; V81-A170 HydrophobicContact CG2-CB 3.87Å; V81-Y172 PolarHBondContact N-O 3.32Å; V81-V173 CarbonylContact O-C 3.57Å; V81-V173 VanDerWaalsContact O-CA 3.24Å; V81-V173 WeakPolarHBondContact O-CA 3.38Å; V81-M174 PolarHBondContact O-N 3.05Å
82	I	98.9	Very high	97	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.5	177.5	-49.6	177.8	0	0	0	107.9	L80 I84 W101 I112 A113 L115 M174 T176 M184	L80-I82 HydrophobicContact CD2-CD1 4.16Å; L80-I82 HydrophobicContact CD2-CG1 3.95Å; L80-I82 HydrophobicContact CG-CG1 3.93Å; I82-I84 HydrophobicContact CG2-CD1 4.17Å; I82-I84 HydrophobicContact CG2-CG1 3.8Å; I82-W101 HydrophobicContact CD1-CZ3 4.28Å; I82-W101 HydrophobicContact CG2-CH2 4.41Å; I82-W101 HydrophobicContact CG2-CZ3 4.06Å; I82-I112 HydrophobicContact CD1-CG2 3.74Å; I82-I112 HydrophobicContact CG1-CG2 4.03Å; I82-A113 PolarHBondContact N-O 2.73Å; I82-L115 PolarHBondContact O-N 2.81Å; I82-M174 HydrophobicContact CB-CB 4.48Å; I82-M174 HydrophobicContact CG1-CB 4.4Å; I82-M174 HydrophobicContact CG2-CB 4.18Å; I82-M174 HydrophobicContact CG2-CG 4.38Å; I82-M174 HydrophobicContact CG2-SD 4.46Å; I82-T176 HydrophobicContact CG2-CG2 4.26Å; I82-M184 HydrophobicContact CD1-CE 3.62Å; I82-M184 HydrophobicContact CD1-SD 4.11Å
83	L	98.9	Very high	97.2	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.6	178.5	-58.5	179.7	0	0	0	108.6	V81 L115 L117 V163 V173 M174 K175 T176	V81-L83 HydrophobicContact CG1-CD2 3.87Å; V81-L83 HydrophobicContact CG1-CG 4.36Å; L83-L115 HydrophobicContact CD2-CB 4.28Å; L83-L115 HydrophobicContact CD2-CD1 4.19Å; L83-L117 HydrophobicContact CB-CD1 3.89Å; L83-L117 HydrophobicContact CB-CG 4.38Å; L83-L117 HydrophobicContact CD2-CD2 4.26Å; L83-V163 HydrophobicContact CD1-CG2 3.94Å; L83-V163 HydrophobicContact CD2-CG2 4.06Å; L83-V163 HydrophobicContact CG-CG2 4.35Å; L83-V173 HydrophobicContact CD1-CG1 3.71Å; L83-V173 HydrophobicContact CG-CG1 3.98Å; L83-M174 WeakPolarHBondContact CB-O 3.24Å; L83-M174 PolarHBondContact N-O 3.17Å; L83-K175 WeakPolarHBondContact O-CA 3.4Å; L83-T176 PolarHBondContact O-N 3.05Å
84	I	98.9	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.2	-172.6	-53.5	165.6	0	0	0	108.6	I82 T86 I97 W101 T114 L115 F116 L117 T176	I82-I84 HydrophobicContact CG2-CD1 4.17Å; I82-I84 HydrophobicContact CG2-CG1 3.8Å; I84-T86 HydrophobicContact CB-CG2 4.46Å; I84-T86 HydrophobicContact CG2-CG2 3.74Å; I84-T86 PolarHBondContact O-N 3.5Å; I84-I97 HydrophobicContact CD1-CD1 4.36Å; I84-I97 HydrophobicContact CD1-CG2 3.79Å; I84-I97 HydrophobicContact CG2-CD1 4.04Å; I84-W101 HydrophobicContact CD1-CH2 3.81Å; I84-W101 HydrophobicContact CD1-CZ3 4.42Å; I84-W101 HydrophobicContact CG1-CH2 4.18Å; I84-T114 HydrophobicContact CD1-CG2 3.51Å; I84-L115 PolarHBondContact N-O 3.25Å; I84-F116 HydrophobicContact CB-CD1 3.83Å; I84-F116 HydrophobicContact CB-CE1 4.23Å; I84-F116 HydrophobicContact CD1-CD1 3.91Å; I84-F116 HydrophobicContact CD1-CE1 3.52Å; I84-F116 HydrophobicContact CD1-CZ 4.18Å; I84-F116 HydrophobicContact CG1-CD1 4.47Å; I84-F116 HydrophobicContact CG1-CE1 4.49Å; I84-F116 HydrophobicContact CG2-CD1 3.99Å; I84-F116 HydrophobicContact CG2-CE1 4.21Å; I84-F116 WeakPolarHBondContact O-CA 3.39Å; I84-L117 PolarHBondContact O-N 3.09Å; I84-T176 WeakPolarHBondContact CA-O 3.49Å; I84-T176 HydrophobicContact CB-CG2 4.43Å; I84-T176 HydrophobicContact CG1-CG2 3.85Å; I84-T176 HydrophobicContact CG2-CG2 4.39Å
85	S	98.8	Very high	97.6	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.1	175.3	-66.2	0	0	0	0	109.8	T176 S178	S85-T176 PolarHBondContact N-O 2.79Å; S85-S178 PolarHBondContact O-N 2.84Å
86	T	98.6	Very high	98	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.181	C	C	.	.			trans	-133.2	171.2	178.3	77.6	0	0	0	0	111.2	I84 E90 R94 F116 L117 K155	I84-T86 HydrophobicContact CB-CG2 4.46Å; I84-T86 HydrophobicContact CG2-CG2 3.74Å; I84-T86 PolarHBondContact O-N 3.5Å; T86-E90 WeakPolarHBondContact CA-OE2 3.49Å; T86-E90 WeakPolarHBondContact CB-OE2 3.27Å; T86-R94 HydrophobicContact CG2-CG 3.96Å; T86-R94 PolarHBondContact OG1-NH1 2.89Å; T86-F116 HydrophobicContact CG2-CB 4.39Å; T86-F116 HydrophobicContact CG2-CD1 3.69Å; T86-F116 HydrophobicContact CG2-CG 4.48Å; T86-L117 PolarHBondContact N-O 3.11Å; T86-L117 VanDerWaalsContact N-O 3.11Å; T86-K155 PolarHBondContact O-NZ 3.38Å
87	T	98.2	Very high	98.4	Very high	52 Å²	52	32 Å²	32	32%	0.319	16%	0.157	S	C	.	.			trans	-115.3	163.5	169.7	78.8	0	0	0	0	111.1	K89 E90 R94	T87-K89 PolarHBondContact O-N 2.91Å; T87-K89 VanDerWaalsContact O-N 3.11Å; T87-E90 PolarHBondContact N-OE2 3.37Å; T87-E90 WeakPolarHBondContact O-CB 3.28Å; T87-E90 PolarHBondContact O-N 3.49Å; T87-E90 WeakPolarHBondContact OG1-CG 3.33Å; T87-R94 PolarHBondContact O-NH1 2.79Å
88	H	98.4	Very high	98.6	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.042	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.8	-177.8	-63.1	69.5	0	0	0	113.1	E90 R94 G119 N121 L126 N127 V130	H88-E90 VanDerWaalsContact C-N 3.26Å; H88-E90 PolarHBondContact O-N 2.82Å; H88-R94 PolarHBondContact O-NH2 3.38Å; H88-G119 PolarHBondContact CE1-O 3.24Å; H88-G119 PolarHBondContact NE2-O 2.64Å; H88-N121 PolarHBondContact CE1-N 2.83Å; H88-N121 VanDerWaalsContact CE1-N 3.25Å; H88-N121 PolarHBondContact NE2-N 3.48Å; H88-L126 HydrophobicContact CB-CB 3.98Å; H88-L126 HydrophobicContact CB-CD1 4.37Å; H88-N127 PolarHBondContact NE2-OD1 3.45Å; H88-N127 VanDerWaalsContact NE2-OD1 3.12Å; H88-V130 HydrophobicContact CB-CG2 4.11Å
89	K	98.1	Very high	98.6	Very high	168 Å²	168	33.9 Å²	33.9	73%	0.73	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13	-178.6	-64.8	-177.4	177.5	-178.2	0	113.7	T87 F91 L126	T87-K89 PolarHBondContact O-N 2.91Å; T87-K89 VanDerWaalsContact O-N 3.11Å; K89-F91 PolarHBondContact O-N 3.25Å; K89-L126 HydrophobicContact CG-CD1 4.15Å; K89-L126 HydrophobicContact CG-CD2 4.45Å
90	E	98.5	Very high	98.6	Very high	63 Å²	63	32.6 Å²	32.6	29%	0.294	16%	0.157	S	C	.	.			trans	-89.1	38.9	-176.5	-67.5	174.7	162.3	0	0	112.7	T86 T87 H88 D92 A93 R94 S178	T86-E90 WeakPolarHBondContact CA-OE2 3.49Å; T86-E90 WeakPolarHBondContact CB-OE2 3.27Å; T87-E90 PolarHBondContact N-OE2 3.37Å; T87-E90 WeakPolarHBondContact O-CB 3.28Å; T87-E90 PolarHBondContact O-N 3.49Å; T87-E90 WeakPolarHBondContact OG1-CG 3.33Å; H88-E90 VanDerWaalsContact C-N 3.26Å; H88-E90 PolarHBondContact O-N 2.82Å; E90-D92 VanDerWaalsContact C-N 3.33Å; E90-D92 PolarHBondContact O-N 3.05Å; E90-A93 HydrophobicContact CB-CB 4.11Å; E90-A93 PolarHBondContact O-N 3.43Å; E90-R94 PolarHBondContact O-N 3.3Å; E90-R94 PolarHBondContact O-NH1 3.42Å; E90-S178 VanDerWaalsContact CD-OG 3.25Å; E90-S178 PolarHBondContact OE1-OG 3.23Å; E90-S178 PolarHBondContact OE2-OG 3.3Å
91	F	98.5	Very high	98.6	Very high	89 Å²	89	32.6 Å²	32.6	39%	0.39	16%	0.157	S	C	.	.	H	α-helix	trans	-55.5	-48.3	176.3	177.4	-92.4	0	0	0	111.4	K89 A93 R94 Q95 E133	K89-F91 PolarHBondContact O-N 3.25Å; F91-A93 VanDerWaalsContact C-N 3.27Å; F91-A93 PolarHBondContact O-N 2.83Å; F91-R94 PolarHBondContact O-N 2.74Å; F91-R94 VanDerWaalsContact O-N 3.17Å; F91-Q95 WeakPolarHBondContact O-CB 3.2Å; F91-Q95 PolarHBondContact O-N 3.43Å; F91-E133 HydrophobicContact CD2-CG 4.26Å; F91-E133 WeakPolarHBondContact CD2-OE2 3.09Å; F91-E133 HydrophobicContact CE2-CG 3.94Å
92	D	98.6	Very high	98.6	Very high	108 Å²	108	32.8 Å²	32.8	58%	0.578	16%	0.159	S	C	*	.	H	α-helix	trans	-63.1	-33.5	-179.6	-62.1	-28	0	0	0	112.5	E90 Q95 A96 P308	E90-D92 VanDerWaalsContact C-N 3.33Å; E90-D92 PolarHBondContact O-N 3.05Å; D92-Q95 PolarHBondContact O-N 2.88Å; D92-A96 VanDerWaalsContact O-CB 3.31Å; D92-A96 WeakPolarHBondContact O-CB 3.4Å; D92-A96 PolarHBondContact O-N 3.26Å; D92-P308 HydrophobicContact CB-CG 4.25Å
93	A	98.8	Very high	98.5	Very high	11 Å²	11	35 Å²	35	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-43.2	175.5	0	0	0	0	0	111.6	E90 F91 Q95 A96 I97 P308	E90-A93 HydrophobicContact CB-CB 4.11Å; E90-A93 PolarHBondContact O-N 3.43Å; F91-A93 VanDerWaalsContact C-N 3.27Å; F91-A93 PolarHBondContact O-N 2.83Å; A93-Q95 VanDerWaalsContact C-N 3.31Å; A93-Q95 PolarHBondContact O-N 3.02Å; A93-A96 PolarHBondContact O-N 3.46Å; A93-I97 WeakPolarHBondContact O-CD1 3.28Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.29Å; A93-I97 PolarHBondContact O-N 3.2Å; A93-P308 HydrophobicContact CB-CG 4.24Å
94	R	98.8	Very high	98.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-44.9	173.3	-67.6	-169.1	-69.6	-77.2	0.7	110.9	T86 T87 H88 E90 F91 I97 R98 F116 E133	T86-R94 HydrophobicContact CG2-CG 3.96Å; T86-R94 PolarHBondContact OG1-NH1 2.89Å; T87-R94 PolarHBondContact O-NH1 2.79Å; H88-R94 PolarHBondContact O-NH2 3.38Å; E90-R94 PolarHBondContact O-N 3.3Å; E90-R94 PolarHBondContact O-NH1 3.42Å; F91-R94 PolarHBondContact O-N 2.74Å; F91-R94 VanDerWaalsContact O-N 3.17Å; R94-I97 PolarHBondContact O-N 3.07Å; R94-R98 WeakPolarHBondContact O-CG 3.46Å; R94-R98 PolarHBondContact O-N 3.16Å; R94-F116 HydrophobicContact CB-CD1 4.19Å; R94-F116 HydrophobicContact CB-CD2 4.44Å; R94-F116 HydrophobicContact CB-CE1 3.92Å; R94-F116 HydrophobicContact CB-CE2 4.21Å; R94-F116 HydrophobicContact CB-CG 4.42Å; R94-F116 HydrophobicContact CB-CZ 3.92Å; R94-F116 HydrophobicContact CG-CB 4.4Å; R94-F116 HydrophobicContact CG-CD1 3.56Å; R94-F116 HydrophobicContact CG-CD2 4.28Å; R94-F116 HydrophobicContact CG-CE1 3.77Å; R94-F116 HydrophobicContact CG-CE2 4.47Å; R94-F116 HydrophobicContact CG-CG 3.82Å; R94-F116 HydrophobicContact CG-CZ 4.22Å; R94-F116 WeakPolarHBondContact O-CZ 3.37Å; R94-E133 IonicContact CZ-OE1 3.39Å; R94-E133 IonicContact CZ-OE2 3.88Å; R94-E133 VanDerWaalsContact CZ-OE2 3.28Å; R94-E133 VanDerWaalsContact NE-CD 3.33Å; R94-E133 IonicContact NE-OE1 3.6Å; R94-E133 PolarHBondContact NE-OE1 2.77Å; R94-E133 IonicContact NE-OE2 3.29Å; R94-E133 PolarHBondContact NE-OE2 2.86Å; R94-E133 IonicContact NH2-OE1 3.25Å; R94-E133 IonicContact NH2-OE2 3.21Å; R94-E133 PolarHBondContact NH2-OE2 3.34Å
95	Q	98.8	Very high	98.3	Very high	42 Å²	42	44.4 Å²	44.4	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-46.4	178.8	-168.4	60	22.7	0	0	112.1	F91 D92 A93 I97 R98 E99	F91-Q95 WeakPolarHBondContact O-CB 3.2Å; F91-Q95 PolarHBondContact O-N 3.43Å; D92-Q95 PolarHBondContact O-N 2.88Å; A93-Q95 VanDerWaalsContact C-N 3.31Å; A93-Q95 PolarHBondContact O-N 3.02Å; Q95-I97 VanDerWaalsContact C-N 3.28Å; Q95-I97 PolarHBondContact O-N 2.79Å; Q95-R98 PolarHBondContact O-N 3.27Å; Q95-E99 PolarHBondContact NE2-OE1 3.31Å; Q95-E99 WeakPolarHBondContact O-CG 3.5Å; Q95-E99 PolarHBondContact O-N 2.89Å
96	A	98.9	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-38.2	176.4	0	0	0	0	0	112.3	D92 A93 E99 T100 P308 M311 H312	D92-A96 VanDerWaalsContact O-CB 3.31Å; D92-A96 WeakPolarHBondContact O-CB 3.4Å; D92-A96 PolarHBondContact O-N 3.26Å; A93-A96 PolarHBondContact O-N 3.46Å; A96-E99 PolarHBondContact O-N 3.15Å; A96-T100 VanDerWaalsContact O-CB 3.3Å; A96-T100 WeakPolarHBondContact O-CB 3.42Å; A96-T100 VanDerWaalsContact O-CG2 3.25Å; A96-T100 WeakPolarHBondContact O-CG2 3.39Å; A96-T100 PolarHBondContact O-N 2.9Å; A96-T100 VanDerWaalsContact O-N 3.11Å; A96-T100 PolarHBondContact O-OG1 3.48Å; A96-P308 HydrophobicContact CB-CB 3.78Å; A96-M311 HydrophobicContact CB-SD 4.14Å; A96-H312 WeakPolarHBondContact CB-NE2 3.42Å
97	I	98.9	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-46.5	175.8	-68.2	166.7	0	0	0	110.9	I84 A93 R94 Q95 E99 T100 W101 G102 F116 M311	I84-I97 HydrophobicContact CD1-CD1 4.36Å; I84-I97 HydrophobicContact CD1-CG2 3.79Å; I84-I97 HydrophobicContact CG2-CD1 4.04Å; A93-I97 WeakPolarHBondContact O-CD1 3.28Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.29Å; A93-I97 PolarHBondContact O-N 3.2Å; R94-I97 PolarHBondContact O-N 3.07Å; Q95-I97 VanDerWaalsContact C-N 3.28Å; Q95-I97 PolarHBondContact O-N 2.79Å; I97-E99 PolarHBondContact O-N 2.91Å; I97-T100 PolarHBondContact O-N 3.37Å; I97-T100 VanDerWaalsContact O-N 3.16Å; I97-W101 HydrophobicContact CB-CZ2 4.29Å; I97-W101 HydrophobicContact CD1-CH2 4.46Å; I97-W101 HydrophobicContact CD1-CZ2 3.76Å; I97-W101 HydrophobicContact CG1-CZ2 3.64Å; I97-W101 HydrophobicContact CG2-CD2 4.32Å; I97-W101 HydrophobicContact CG2-CE3 4.48Å; I97-W101 HydrophobicContact CG2-CH2 3.87Å; I97-W101 HydrophobicContact CG2-CZ2 3.68Å; I97-W101 HydrophobicContact CG2-CZ3 4.27Å; I97-G102 VanDerWaalsContact O-CA 3.22Å; I97-G102 WeakPolarHBondContact O-CA 3.35Å; I97-G102 PolarHBondContact O-N 3.19Å; I97-F116 HydrophobicContact CB-CE1 4.16Å; I97-F116 HydrophobicContact CB-CZ 4.15Å; I97-F116 HydrophobicContact CD1-CE1 4.05Å; I97-F116 HydrophobicContact CG2-CE1 4.12Å; I97-F116 HydrophobicContact CG2-CZ 4.05Å; I97-M311 HydrophobicContact CB-SD 4.38Å; I97-M311 HydrophobicContact CD1-CE 4.43Å; I97-M311 HydrophobicContact CG1-CE 3.81Å; I97-M311 HydrophobicContact CG1-SD 3.53Å; I97-M311 VanDerWaalsContact CG1-SD 3.53Å
98	R	98.6	Very high	97.4	Very high	26 Å²	26	55 Å²	55	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-34.7	176.9	-72.1	179.6	-172.3	109.3	3.1	112.7	R94 Q95 D103 F116 E133 D139	R94-R98 WeakPolarHBondContact O-CG 3.46Å; R94-R98 PolarHBondContact O-N 3.16Å; Q95-R98 PolarHBondContact O-N 3.27Å; R98-D103 WeakPolarHBondContact O-CB 3.36Å; R98-F116 HydrophobicContact CG-CE2 3.94Å; R98-F116 HydrophobicContact CG-CZ 4.05Å; R98-E133 IonicContact CZ-OE1 3.04Å; R98-E133 IonicContact NH1-OE1 4Å; R98-E133 PolarHBondContact NH1-OE1 3.42Å; R98-E133 IonicContact NH2-OE1 2.91Å; R98-E133 PolarHBondContact NH2-OE1 3.03Å; R98-D139 IonicContact CZ-OD1 3.28Å; R98-D139 IonicContact CZ-OD2 3.95Å; R98-D139 IonicContact NE-OD1 2.82Å; R98-D139 IonicContact NE-OD2 3.29Å; R98-D139 PolarHBondContact NE-OD2 3.01Å; R98-D139 IonicContact NH2-OD1 2.72Å; R98-D139 PolarHBondContact NH2-OD1 2.84Å; R98-D139 IonicContact NH2-OD2 2.71Å; R98-D139 PolarHBondContact NH2-OD2 3.46Å
99	E	98.3	Very high	97.2	Very high	103 Å²	103	58.7 Å²	58.7	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-90.6	-4.9	-177.5	-68.6	179.2	-176	0	0	113.8	Q95 A96 I97 H312	Q95-E99 PolarHBondContact NE2-OE1 3.31Å; Q95-E99 WeakPolarHBondContact O-CG 3.5Å; Q95-E99 PolarHBondContact O-N 2.89Å; A96-E99 PolarHBondContact O-N 3.15Å; I97-E99 PolarHBondContact O-N 2.91Å; E99-H312 IonicContact OE2-CE1 2.83Å; E99-H312 PolarHBondContact OE2-CE1 2.88Å; E99-H312 IonicContact OE2-NE2 3.43Å
100	T	98.5	Very high	97.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-114.8	-176.1	64.4	0	0	0	0	112	A96 I97 G102 N106 M311 W315	A96-T100 VanDerWaalsContact O-CB 3.3Å; A96-T100 WeakPolarHBondContact O-CB 3.42Å; A96-T100 VanDerWaalsContact O-CG2 3.25Å; A96-T100 WeakPolarHBondContact O-CG2 3.39Å; A96-T100 PolarHBondContact O-N 2.9Å; A96-T100 VanDerWaalsContact O-N 3.11Å; A96-T100 PolarHBondContact O-OG1 3.48Å; I97-T100 PolarHBondContact O-N 3.37Å; I97-T100 VanDerWaalsContact O-N 3.16Å; T100-G102 VanDerWaalsContact C-N 3.27Å; T100-G102 PolarHBondContact O-N 3.17Å; T100-N106 PolarHBondContact O-ND2 3.18Å; T100-M311 HydrophobicContact CG2-CG 4.47Å; T100-M311 WeakPolarHBondContact OG1-CG 3.41Å; T100-M311 PolarHBondContact OG1-SD 2.85Å; T100-W315 HydrophobicContact CG2-CB 3.66Å; T100-W315 HydrophobicContact CG2-CG 3.75Å
101	W	98.1	Very high	97	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.9	-172.2	64.1	-96.4	0	0	0	112.9	I82 I84 I97 T176 I180 F181 V182 M184 M311 W315	I82-W101 HydrophobicContact CD1-CZ3 4.28Å; I82-W101 HydrophobicContact CG2-CH2 4.41Å; I82-W101 HydrophobicContact CG2-CZ3 4.06Å; I84-W101 HydrophobicContact CD1-CH2 3.81Å; I84-W101 HydrophobicContact CD1-CZ3 4.42Å; I84-W101 HydrophobicContact CG1-CH2 4.18Å; I97-W101 HydrophobicContact CB-CZ2 4.29Å; I97-W101 HydrophobicContact CD1-CH2 4.46Å; I97-W101 HydrophobicContact CD1-CZ2 3.76Å; I97-W101 HydrophobicContact CG1-CZ2 3.64Å; I97-W101 HydrophobicContact CG2-CD2 4.32Å; I97-W101 HydrophobicContact CG2-CE3 4.48Å; I97-W101 HydrophobicContact CG2-CH2 3.87Å; I97-W101 HydrophobicContact CG2-CZ2 3.68Å; I97-W101 HydrophobicContact CG2-CZ3 4.27Å; W101-T176 HydrophobicContact CH2-CG2 3.91Å; W101-I180 WeakPolarHBondContact CZ2-O 3.4Å; W101-I180 PolarHBondContact NE1-O 3.12Å; W101-F181 AromaticContact CD1-CD2 3.94Å; W101-V182 VanDerWaalsContact CB-O 3.3Å; W101-V182 WeakPolarHBondContact CB-O 3.45Å; W101-V182 HydrophobicContact CD2-CB 3.8Å; W101-V182 HydrophobicContact CD2-CG2 3.93Å; W101-V182 HydrophobicContact CE3-CB 3.64Å; W101-V182 HydrophobicContact CE3-CG2 3.73Å; W101-V182 HydrophobicContact CG-CB 4.28Å; W101-V182 HydrophobicContact CH2-CG2 3.8Å; W101-V182 HydrophobicContact CZ2-CG2 3.96Å; W101-V182 HydrophobicContact CZ3-CB 4.09Å; W101-V182 HydrophobicContact CZ3-CG2 3.68Å; W101-M184 HydrophobicContact CB-CG 4.12Å; W101-M184 HydrophobicContact CE3-CG 4.39Å; W101-M184 HydrophobicContact CE3-SD 4.12Å; W101-M184 WeakPolarHBondContact O-CG 3.2Å; W101-M311 VanDerWaalsContact CD1-SD 3.57Å; W101-M311 PolarHBondContact NE1-SD 2.97Å; W101-W315 HydrophobicContact CB-CE3 4.12Å; W101-W315 HydrophobicContact CB-CZ3 4.01Å
102	G	98.2	Very high	97	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.7	-178.8	0	0	0	0	0	115.3	I97 T100 E104 T114	I97-G102 VanDerWaalsContact O-CA 3.22Å; I97-G102 WeakPolarHBondContact O-CA 3.35Å; I97-G102 PolarHBondContact O-N 3.19Å; T100-G102 VanDerWaalsContact C-N 3.27Å; T100-G102 PolarHBondContact O-N 3.17Å; G102-E104 PolarHBondContact O-N 3.5Å; G102-T114 PolarHBondContact O-OG1 3.47Å
103	D	97.8	Very high	97	Very high	46 Å²	46	45.5 Å²	45.5	25%	0.246	24%	0.242	C	C	.	.			trans	-65.2	115.3	177.3	-177	-5	0	0	0	111	R98 N105 N106	R98-D103 WeakPolarHBondContact O-CB 3.36Å; D103-N105 PolarHBondContact O-N 3.11Å; D103-N105 VanDerWaalsContact O-N 3.15Å; D103-N105 WeakPolarHBondContact OD1-CB 3.38Å; D103-N105 PolarHBondContact OD1-N 3.4Å; D103-N105 PolarHBondContact OD1-ND2 3.05Å; D103-N106 WeakPolarHBondContact CB-ND2 3.48Å; D103-N106 PolarHBondContact O-N 2.76Å
104	E	96.3	Very high	97	Very high	62 Å²	62	45.1 Å²	45.1	29%	0.29	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.4	-19.7	-178.7	-62	179.7	-177.6	0	0	113.1	K72 G102 I112 A113 T114	K72-E104 WeakPolarHBondContact CE-OE1 3.3Å; K72-E104 IonicContact NZ-OE1 2.84Å; K72-E104 PolarHBondContact NZ-OE1 2.63Å; K72-E104 IonicContact NZ-OE2 3.89Å; G102-E104 PolarHBondContact O-N 3.5Å; E104-I112 WeakPolarHBondContact CG-O 3.34Å; E104-A113 WeakPolarHBondContact OE1-CA 3.46Å; E104-T114 PolarHBondContact OE1-N 3.49Å
105	N	95.7	Very high	97	Very high	138 Å²	138	45 Å²	45	74%	0.738	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-88	-9.3	-175.9	-58.8	-67.1	0	0	0	114	D103 F107	D103-N105 PolarHBondContact O-N 3.11Å; D103-N105 VanDerWaalsContact O-N 3.15Å; D103-N105 WeakPolarHBondContact OD1-CB 3.38Å; D103-N105 PolarHBondContact OD1-N 3.4Å; D103-N105 PolarHBondContact OD1-ND2 3.05Å; N105-F107 VanDerWaalsContact C-N 3.26Å; N105-F107 PolarHBondContact O-N 3.32Å
106	N	94	Very high	97	Very high	70 Å²	70	43 Å²	43	37%	0.374	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-71.9	-16.8	-175.1	-82	-27.3	0	0	0	114.3	T100 D103 W315	T100-N106 PolarHBondContact O-ND2 3.18Å; D103-N106 WeakPolarHBondContact CB-ND2 3.48Å; D103-N106 PolarHBondContact O-N 2.76Å; N106-W315 WeakPolarHBondContact ND2-CZ2 3.45Å
107	F	93.9	Very high	97	Very high	14 Å²	14	43.1 Å²	43.1	6%	0.061	23%	0.23	C	C	.	.	S	Bend	trans	-115.1	89.7	-174	-66.8	-87.1	0	0	0	112.2	N105 G109 I110 I112 M184 D185 I188 Y189	N105-F107 VanDerWaalsContact C-N 3.26Å; N105-F107 PolarHBondContact O-N 3.32Å; F107-G109 PolarHBondContact O-N 2.87Å; F107-I110 HydrophobicContact CB-CB 4.19Å; F107-I110 PolarHBondContact O-N 3.07Å; F107-I110 VanDerWaalsContact O-N 3.16Å; F107-I112 HydrophobicContact CB-CD1 3.98Å; F107-I112 HydrophobicContact CD2-CD1 3.54Å; F107-I112 HydrophobicContact CE2-CD1 4.37Å; F107-I112 HydrophobicContact CG-CD1 3.89Å; F107-M184 HydrophobicContact CE1-CB 4.16Å; F107-M184 HydrophobicContact CE2-CB 3.51Å; F107-M184 HydrophobicContact CE2-CG 4.14Å; F107-M184 HydrophobicContact CZ-CB 3.21Å; F107-M184 HydrophobicContact CZ-CG 4.29Å; F107-D185 WeakPolarHBondContact CE1-OD1 3.37Å; F107-I188 HydrophobicContact CB-CD1 4.5Å; F107-I188 HydrophobicContact CD1-CD1 3.61Å; F107-I188 HydrophobicContact CD2-CD1 4.1Å; F107-I188 HydrophobicContact CE1-CD1 3.84Å; F107-I188 HydrophobicContact CE2-CD1 4.31Å; F107-I188 HydrophobicContact CG-CD1 3.78Å; F107-I188 HydrophobicContact CZ-CD1 4.23Å; F107-Y189 AromaticContact CD1-CE2 3.97Å; F107-Y189 HydrophobicContact CD1-CE2 3.97Å; F107-Y189 AromaticContact CE1-CE2 3.98Å; F107-Y189 HydrophobicContact CE1-CE2 3.98Å
108	K	90.3	Very high	97	Very high	198 Å²	198	43.1 Å²	43.1	86%	0.861	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	129.3	177.4	-66.3	-174.2	-179.9	-178.5	0	111.2	I110	K108-I110 VanDerWaalsContact C-N 3.26Å; K108-I110 PolarHBondContact O-N 3.11Å
109	G	93.4	Very high	96.9	Very high	88 Å²	88	41.9 Å²	41.9	91%	0.907	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-5.3	179	0	0	0	0	0	115.1	F107	F107-G109 PolarHBondContact O-N 2.87Å
110	I	96.3	Very high	96.9	Very high	15 Å²	15	40 Å²	40	8%	0.077	22%	0.216	C	C	.	.			trans	-121.5	112.3	179.2	-57.5	177	0	0	0	108.2	F79 F107 K108 I112 I188 Y189 P194	F79-I110 HydrophobicContact CB-CG2 3.8Å; F79-I110 HydrophobicContact CD1-CG2 3.68Å; F79-I110 HydrophobicContact CG-CG2 3.96Å; F107-I110 HydrophobicContact CB-CB 4.19Å; F107-I110 PolarHBondContact O-N 3.07Å; F107-I110 VanDerWaalsContact O-N 3.16Å; K108-I110 VanDerWaalsContact C-N 3.26Å; K108-I110 PolarHBondContact O-N 3.11Å; I110-I112 HydrophobicContact CG2-CG1 4.3Å; I110-I188 HydrophobicContact CD1-CG2 3.36Å; I110-I188 HydrophobicContact CG2-CG2 4.46Å; I110-Y189 HydrophobicContact CD1-CD1 4.44Å; I110-Y189 HydrophobicContact CD1-CE1 3.54Å; I110-P194 HydrophobicContact CD1-CB 4.26Å; I110-P194 HydrophobicContact CD1-CG 3.6Å; I110-P194 HydrophobicContact CG1-CG 4.43Å
111	K	97.2	Very high	96.9	Very high	117 Å²	117	42.1 Å²	42.1	51%	0.509	23%	0.227	S	C	.	.			trans	-78.9	126.7	178	-64.8	-59.3	-173.7	179.3	0	110.1	N76 P78 F79 L80	N76-K111 HydrophobicContact CB-CG 4.44Å; P78-K111 CarbonylContact C-O 3.54Å; F79-K111 WeakPolarHBondContact CB-O 3.32Å; F79-K111 PolarHBondContact N-O 3.11Å; L80-K111 PolarHBondContact N-O 3.49Å
112	I	98	Very high	96.9	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.9	177.5	-57.9	171.6	0	0	0	106.7	L80 I82 E104 F107 I110 M184 I188	L80-I112 VanDerWaalsContact O-CA 3.31Å; L80-I112 WeakPolarHBondContact O-CA 3.34Å; I82-I112 HydrophobicContact CD1-CG2 3.74Å; I82-I112 HydrophobicContact CG1-CG2 4.03Å; E104-I112 WeakPolarHBondContact CG-O 3.34Å; F107-I112 HydrophobicContact CB-CD1 3.98Å; F107-I112 HydrophobicContact CD2-CD1 3.54Å; F107-I112 HydrophobicContact CE2-CD1 4.37Å; F107-I112 HydrophobicContact CG-CD1 3.89Å; I110-I112 HydrophobicContact CG2-CG1 4.3Å; I112-M184 HydrophobicContact CD1-CE 3.93Å; I112-I188 HydrophobicContact CD1-CD1 3.61Å
113	A	97.9	Very high	96.8	Very high	5 Å²	5	49.4 Å²	49.4	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.3	168.7	0	0	0	0	0	108.2	K72 P78 L80 V81 I82 E104	K72-A113 HydrophobicContact CG-CB 4.33Å; P78-A113 HydrophobicContact CB-CB 4.16Å; P78-A113 HydrophobicContact CG-CB 4.34Å; L80-A113 PolarHBondContact O-N 3.17Å; V81-A113 CarbonylContact C-O 3.46Å; V81-A113 WeakPolarHBondContact CA-O 3.45Å; V81-A113 HydrophobicContact CG2-CB 4.46Å; I82-A113 PolarHBondContact N-O 2.73Å; E104-A113 WeakPolarHBondContact OE1-CA 3.46Å
114	T	98.5	Very high	96.8	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.7	178	-60.1	0	0	0	0	108.4	I84 G102 E104 F116	I84-T114 HydrophobicContact CD1-CG2 3.51Å; G102-T114 PolarHBondContact O-OG1 3.47Å; E104-T114 PolarHBondContact OE1-N 3.49Å; T114-F116 HydrophobicContact CG2-CZ 4.43Å
115	L	98.7	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.9	-176.9	-68.8	159.6	0	0	0	111.1	K72 V81 I82 L83 I84 D139 I141 W162	K72-L115 HydrophobicContact CG-CD2 4.37Å; V81-L115 HydrophobicContact CG1-CD1 4.03Å; I82-L115 PolarHBondContact O-N 2.81Å; L83-L115 HydrophobicContact CD2-CB 4.28Å; L83-L115 HydrophobicContact CD2-CD1 4.19Å; I84-L115 PolarHBondContact N-O 3.25Å; L115-D139 CarbonylContact C-O 3.51Å; L115-D139 VanDerWaalsContact CA-O 3.31Å; L115-D139 WeakPolarHBondContact CA-O 3.34Å; L115-I141 HydrophobicContact CD2-CD1 4.25Å; L115-I141 HydrophobicContact CD2-CG1 4.17Å; L115-W162 HydrophobicContact CD1-CD2 4.32Å; L115-W162 HydrophobicContact CD1-CE3 3.63Å; L115-W162 HydrophobicContact CD1-CH2 3.3Å; L115-W162 HydrophobicContact CD1-CZ2 4.01Å; L115-W162 HydrophobicContact CD1-CZ3 3.06Å; L115-W162 HydrophobicContact CD2-CH2 4.38Å; L115-W162 HydrophobicContact CG-CH2 4.45Å; L115-W162 HydrophobicContact CG-CZ3 4.49Å
116	F	98.9	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.7	174	-57.5	-75.3	0	0	0	110.3	I84 T86 R94 I97 R98 T114 L118 D139 I140 I141	I84-F116 HydrophobicContact CB-CD1 3.83Å; I84-F116 HydrophobicContact CB-CE1 4.23Å; I84-F116 HydrophobicContact CD1-CD1 3.91Å; I84-F116 HydrophobicContact CD1-CE1 3.52Å; I84-F116 HydrophobicContact CD1-CZ 4.18Å; I84-F116 HydrophobicContact CG1-CD1 4.47Å; I84-F116 HydrophobicContact CG1-CE1 4.49Å; I84-F116 HydrophobicContact CG2-CD1 3.99Å; I84-F116 HydrophobicContact CG2-CE1 4.21Å; I84-F116 WeakPolarHBondContact O-CA 3.39Å; T86-F116 HydrophobicContact CG2-CB 4.39Å; T86-F116 HydrophobicContact CG2-CD1 3.69Å; T86-F116 HydrophobicContact CG2-CG 4.48Å; R94-F116 HydrophobicContact CB-CD1 4.19Å; R94-F116 HydrophobicContact CB-CD2 4.44Å; R94-F116 HydrophobicContact CB-CE1 3.92Å; R94-F116 HydrophobicContact CB-CE2 4.21Å; R94-F116 HydrophobicContact CB-CG 4.42Å; R94-F116 HydrophobicContact CB-CZ 3.92Å; R94-F116 HydrophobicContact CG-CB 4.4Å; R94-F116 HydrophobicContact CG-CD1 3.56Å; R94-F116 HydrophobicContact CG-CD2 4.28Å; R94-F116 HydrophobicContact CG-CE1 3.77Å; R94-F116 HydrophobicContact CG-CE2 4.47Å; R94-F116 HydrophobicContact CG-CG 3.82Å; R94-F116 HydrophobicContact CG-CZ 4.22Å; R94-F116 WeakPolarHBondContact O-CZ 3.37Å; I97-F116 HydrophobicContact CB-CE1 4.16Å; I97-F116 HydrophobicContact CB-CZ 4.15Å; I97-F116 HydrophobicContact CD1-CE1 4.05Å; I97-F116 HydrophobicContact CG2-CE1 4.12Å; I97-F116 HydrophobicContact CG2-CZ 4.05Å; R98-F116 HydrophobicContact CG-CE2 3.94Å; R98-F116 HydrophobicContact CG-CZ 4.05Å; T114-F116 HydrophobicContact CG2-CZ 4.43Å; F116-L118 HydrophobicContact CB-CD1 4.3Å; F116-D139 HydrophobicContact CD2-CB 4.46Å; F116-D139 WeakPolarHBondContact CE2-OD2 3.34Å; F116-D139 PolarHBondContact N-O 3.49Å; F116-I140 HydrophobicContact CB-CG1 4.39Å; F116-I141 PolarHBondContact O-N 3Å
117	L	98.9	Very high	97.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.2	-175.6	-57.1	-168.8	0	0	0	110.3	L83 I84 T86 I141 K155 M158	L83-L117 HydrophobicContact CB-CD1 3.89Å; L83-L117 HydrophobicContact CB-CG 4.38Å; L83-L117 HydrophobicContact CD2-CD2 4.26Å; I84-L117 PolarHBondContact O-N 3.09Å; T86-L117 PolarHBondContact N-O 3.11Å; T86-L117 VanDerWaalsContact N-O 3.11Å; L117-I141 HydrophobicContact CD2-CB 3.98Å; L117-I141 HydrophobicContact CD2-CG1 4.2Å; L117-K155 HydrophobicContact CB-CD 4.18Å; L117-K155 HydrophobicContact CB-CG 3.84Å; L117-K155 WeakPolarHBondContact O-CD 3.22Å; L117-M158 HydrophobicContact CB-CE 3.49Å; L117-M158 VanDerWaalsContact CB-CE 3.49Å; L117-M158 HydrophobicContact CD1-CE 4.2Å; L117-M158 HydrophobicContact CD2-CE 3.79Å; L117-M158 HydrophobicContact CG-CE 4.01Å
118	L	98.8	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.7	176.6	-59.7	92.5	0	0	0	111.1	F116 V130 I140 I141 V142 E143	F116-L118 HydrophobicContact CB-CD1 4.3Å; L118-V130 HydrophobicContact CD2-CG1 4.4Å; L118-V130 HydrophobicContact CD2-CG2 4.15Å; L118-I140 HydrophobicContact CD1-CG2 3.62Å; L118-I141 PolarHBondContact N-O 3.16Å; L118-V142 HydrophobicContact CB-CG2 4.26Å; L118-V142 WeakPolarHBondContact O-CA 3.3Å; L118-E143 PolarHBondContact O-N 3.41Å
119	G	98.4	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-171.1	156.9	0	0	0	0	0	109.6	H88 F145 D147	H88-G119 PolarHBondContact CE1-O 3.24Å; H88-G119 PolarHBondContact NE2-O 2.64Å; G119-F145 CarbonylContact C-O 3.54Å; G119-F145 VanDerWaalsContact CA-O 3.32Å; G119-F145 WeakPolarHBondContact CA-O 3.19Å; G119-D147 PolarHBondContact N-OD2 2.64Å
120	K	97.7	Very high	98.1	Very high	65 Å²	65	41.4 Å²	41.4	28%	0.283	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	150.5	170.1	77	-168.9	176.3	-161.2	0	112.5	L66 D144 F145 I146 D147	L66-K120 HydrophobicContact CD1-CB 4.12Å; K120-D144 WeakPolarHBondContact CD-O 3.33Å; K120-D144 WeakPolarHBondContact CE-O 3.37Å; K120-D144 PolarHBondContact NZ-O 3.47Å; K120-D144 IonicContact NZ-OD2 3.67Å; K120-F145 PolarHBondContact N-O 2.98Å; K120-I146 HydrophobicContact CD-CD1 4.49Å; K120-I146 HydrophobicContact CG-CD1 3.99Å; K120-D147 PolarHBondContact O-N 2.88Å
121	N	98	Very high	98.2	Very high	43 Å²	43	45.5 Å²	45.5	23%	0.23	25%	0.246	C	C	.	.			trans	-93.2	155.1	169.9	-150.6	-76.1	0	0	0	111.5	H88 D123 L126 N127	H88-N121 PolarHBondContact CE1-N 2.83Å; H88-N121 VanDerWaalsContact CE1-N 3.25Å; H88-N121 PolarHBondContact NE2-N 3.48Å; N121-D123 VanDerWaalsContact C-N 3.28Å; N121-D123 WeakPolarHBondContact OD1-CB 3.44Å; N121-D123 PolarHBondContact OD1-N 3.06Å; N121-L126 HydrophobicContact CB-CB 4.19Å; N121-N127 WeakPolarHBondContact CA-OD1 3.48Å; N121-N127 VanDerWaalsContact CB-OD1 3.26Å; N121-N127 WeakPolarHBondContact CB-OD1 3.22Å; N121-N127 PolarHBondContact N-OD1 3.41Å; N121-N127 PolarHBondContact O-ND2 2.99Å
122	A	97.2	Very high	98.3	Very high	90 Å²	90	44.8 Å²	44.8	74%	0.744	24%	0.244	S	C	*	.	S	Bend	trans	-72.5	-25.5	168.6	0	0	0	0	0	112.1	P124	A122-P124 WeakPolarHBondContact O-CD 3.11Å
123	D	97.8	Very high	98.3	Very high	68 Å²	68	44.4 Å²	44.4	36%	0.364	24%	0.243	S	C	.	.			trans	-83.2	113.7	176.4	-171.4	-20	0	0	0	110.8	N121 V125 L126 N127	N121-D123 VanDerWaalsContact C-N 3.28Å; N121-D123 WeakPolarHBondContact OD1-CB 3.44Å; N121-D123 PolarHBondContact OD1-N 3.06Å; D123-V125 PolarHBondContact O-N 3.48Å; D123-V125 WeakPolarHBondContact OD1-CB 3.42Å; D123-V125 PolarHBondContact OD1-N 3.36Å; D123-L126 HydrophobicContact CB-CB 4.2Å; D123-L126 HydrophobicContact CB-CD1 4.02Å; D123-L126 HydrophobicContact CB-CG 4.05Å; D123-L126 PolarHBondContact O-N 3.13Å; D123-N127 PolarHBondContact O-N 3.17Å; D123-N127 PolarHBondContact O-ND2 2.88Å
124	P	97.7	Very high	98.4	Very high	91 Å²	91	44.6 Å²	44.6	59%	0.591	24%	0.243	S	C	*	.	H	α-helix	trans	-64	-27.6	179.8	27	-34.7	0	0	0	113.2	A122 N127 Q128	A122-P124 WeakPolarHBondContact O-CD 3.11Å; P124-N127 PolarHBondContact O-N 2.95Å; P124-Q128 WeakPolarHBondContact O-CB 3.32Å; P124-Q128 PolarHBondContact O-N 3.07Å
125	V	98.2	Very high	98.3	Very high	62 Å²	62	50.1 Å²	50.1	38%	0.376	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-42.8	177.9	179	0	0	0	0	110	D123 N127 Q128 M129	D123-V125 PolarHBondContact O-N 3.48Å; D123-V125 WeakPolarHBondContact OD1-CB 3.42Å; D123-V125 PolarHBondContact OD1-N 3.36Å; V125-N127 PolarHBondContact O-N 3.11Å; V125-Q128 PolarHBondContact O-N 3.42Å; V125-M129 HydrophobicContact CG1-CE 3.95Å; V125-M129 HydrophobicContact CG1-SD 4.4Å; V125-M129 WeakPolarHBondContact O-CG 3.33Å; V125-M129 PolarHBondContact O-N 2.96Å
126	L	98.4	Very high	98.3	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-39	176.4	-69.6	-178.5	0	0	0	112	H88 K89 N121 D123 M129 V130	H88-L126 HydrophobicContact CB-CB 3.98Å; H88-L126 HydrophobicContact CB-CD1 4.37Å; K89-L126 HydrophobicContact CG-CD1 4.15Å; K89-L126 HydrophobicContact CG-CD2 4.45Å; N121-L126 HydrophobicContact CB-CB 4.19Å; D123-L126 HydrophobicContact CB-CB 4.2Å; D123-L126 HydrophobicContact CB-CD1 4.02Å; D123-L126 HydrophobicContact CB-CG 4.05Å; D123-L126 PolarHBondContact O-N 3.13Å; L126-M129 HydrophobicContact CD2-SD 4.41Å; L126-M129 PolarHBondContact O-N 2.56Å; L126-V130 PolarHBondContact O-N 2.76Å
127	N	98.5	Very high	98.3	Very high	50 Å²	50	59.2 Å²	59.2	27%	0.267	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-45.8	174.9	-66.1	-33.2	0	0	0	111.2	H88 N121 D123 P124 V125 M129 V130 E131	H88-N127 PolarHBondContact NE2-OD1 3.45Å; H88-N127 VanDerWaalsContact NE2-OD1 3.12Å; N121-N127 WeakPolarHBondContact CA-OD1 3.48Å; N121-N127 VanDerWaalsContact CB-OD1 3.26Å; N121-N127 WeakPolarHBondContact CB-OD1 3.22Å; N121-N127 PolarHBondContact N-OD1 3.41Å; N121-N127 PolarHBondContact O-ND2 2.99Å; D123-N127 PolarHBondContact O-N 3.17Å; D123-N127 PolarHBondContact O-ND2 2.88Å; P124-N127 PolarHBondContact O-N 2.95Å; V125-N127 PolarHBondContact O-N 3.11Å; N127-M129 PolarHBondContact O-N 3.06Å; N127-V130 PolarHBondContact O-N 2.96Å; N127-E131 PolarHBondContact O-N 2.8Å
128	Q	98.4	Very high	98.2	Very high	107 Å²	107	63.8 Å²	63.8	50%	0.5	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-38.6	179.3	-173.2	178.3	6.4	0	0	112.5	P124 V125 E131 Q132	P124-Q128 WeakPolarHBondContact O-CB 3.32Å; P124-Q128 PolarHBondContact O-N 3.07Å; V125-Q128 PolarHBondContact O-N 3.42Å; Q128-E131 PolarHBondContact O-N 2.98Å; Q128-Q132 WeakPolarHBondContact O-CG 3.11Å; Q128-Q132 PolarHBondContact O-N 2.85Å
129	M	98.5	Very high	98.2	Very high	108 Å²	108	64.3 Å²	64.3	53%	0.532	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.4	-74.1	177.1	170.5	0	0	112.1	V125 L126 N127 Q132 E133	V125-M129 HydrophobicContact CG1-CE 3.95Å; V125-M129 HydrophobicContact CG1-SD 4.4Å; V125-M129 WeakPolarHBondContact O-CG 3.33Å; V125-M129 PolarHBondContact O-N 2.96Å; L126-M129 HydrophobicContact CD2-SD 4.41Å; L126-M129 PolarHBondContact O-N 2.56Å; N127-M129 PolarHBondContact O-N 3.06Å; M129-Q132 PolarHBondContact O-N 3.28Å; M129-E133 WeakPolarHBondContact O-CB 3.47Å; M129-E133 PolarHBondContact O-N 2.98Å
130	V	98.7	Very high	98.2	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-37.4	176.5	169.8	0	0	0	0	111.4	I67 H88 L118 L126 N127 E133 S134 I140 V142	I67-V130 HydrophobicContact CD1-CG1 4.34Å; H88-V130 HydrophobicContact CB-CG2 4.11Å; L118-V130 HydrophobicContact CD2-CG1 4.4Å; L118-V130 HydrophobicContact CD2-CG2 4.15Å; L126-V130 PolarHBondContact O-N 2.76Å; N127-V130 PolarHBondContact O-N 2.96Å; V130-E133 PolarHBondContact O-N 3.31Å; V130-S134 WeakPolarHBondContact O-CB 3.39Å; V130-S134 PolarHBondContact O-N 3.03Å; V130-I140 HydrophobicContact CG1-CD1 4.19Å; V130-I140 HydrophobicContact CG1-CG2 3.9Å; V130-V142 HydrophobicContact CG1-CG2 4.06Å
131	E	98.5	Very high	98.3	Very high	102 Å²	102	61.2 Å²	61.2	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-47.2	174.2	-172.9	179.5	-172.2	0	0	111.2	N127 Q128 E133 S134 Q135	N127-E131 PolarHBondContact O-N 2.8Å; Q128-E131 PolarHBondContact O-N 2.98Å; E131-E133 PolarHBondContact O-N 3.31Å; E131-S134 PolarHBondContact O-N 2.77Å; E131-S134 PolarHBondContact O-OG 2.88Å; E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 2.8Å; E131-Q135 VanDerWaalsContact O-N 3.09Å
132	Q	98.6	Very high	98.3	Very high	101 Å²	101	59.5 Å²	59.5	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175.6	-71	174.1	-9.8	0	0	112.3	Q128 M129 S134 Q135 I136	Q128-Q132 WeakPolarHBondContact O-CG 3.11Å; Q128-Q132 PolarHBondContact O-N 2.85Å; M129-Q132 PolarHBondContact O-N 3.28Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-S134 PolarHBondContact O-N 2.77Å; Q132-Q135 PolarHBondContact O-N 2.92Å; Q132-I136 WeakPolarHBondContact O-CG1 3.46Å; Q132-I136 PolarHBondContact O-N 3.41Å
133	E	98.7	Very high	98.3	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-43.9	174.2	-175.2	-173.7	169.1	0	0	111.3	F91 R94 R98 M129 V130 E131 Q135 I136 F137 I140	F91-E133 HydrophobicContact CD2-CG 4.26Å; F91-E133 WeakPolarHBondContact CD2-OE2 3.09Å; F91-E133 HydrophobicContact CE2-CG 3.94Å; R94-E133 IonicContact CZ-OE1 3.39Å; R94-E133 IonicContact CZ-OE2 3.88Å; R94-E133 VanDerWaalsContact CZ-OE2 3.28Å; R94-E133 VanDerWaalsContact NE-CD 3.33Å; R94-E133 IonicContact NE-OE1 3.6Å; R94-E133 PolarHBondContact NE-OE1 2.77Å; R94-E133 IonicContact NE-OE2 3.29Å; R94-E133 PolarHBondContact NE-OE2 2.86Å; R94-E133 IonicContact NH2-OE1 3.25Å; R94-E133 IonicContact NH2-OE2 3.21Å; R94-E133 PolarHBondContact NH2-OE2 3.34Å; R98-E133 IonicContact CZ-OE1 3.04Å; R98-E133 IonicContact NH1-OE1 4Å; R98-E133 PolarHBondContact NH1-OE1 3.42Å; R98-E133 IonicContact NH2-OE1 2.91Å; R98-E133 PolarHBondContact NH2-OE1 3.03Å; M129-E133 WeakPolarHBondContact O-CB 3.47Å; M129-E133 PolarHBondContact O-N 2.98Å; V130-E133 PolarHBondContact O-N 3.31Å; E131-E133 PolarHBondContact O-N 3.31Å; E133-Q135 VanDerWaalsContact C-N 3.31Å; E133-Q135 PolarHBondContact O-N 2.84Å; E133-I136 PolarHBondContact O-N 3.13Å; E133-I136 VanDerWaalsContact O-N 3.09Å; E133-F137 HydrophobicContact CG-CD2 3.75Å; E133-F137 HydrophobicContact CG-CE2 4.12Å; E133-F137 WeakPolarHBondContact O-CD2 3.47Å; E133-F137 PolarHBondContact O-N 3.06Å; E133-I140 HydrophobicContact CB-CD1 4.05Å; E133-I140 HydrophobicContact CG-CD1 3.72Å
134	S	98.4	Very high	98.3	Very high	8 Å²	8	54.5 Å²	54.5	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-36.5	-179.7	78	0	0	0	0	112.8	V130 E131 Q132 I136 H138	V130-S134 WeakPolarHBondContact O-CB 3.39Å; V130-S134 PolarHBondContact O-N 3.03Å; E131-S134 PolarHBondContact O-N 2.77Å; E131-S134 PolarHBondContact O-OG 2.88Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-S134 PolarHBondContact O-N 2.77Å; S134-I136 PolarHBondContact O-N 3.2Å; S134-H138 WeakPolarHBondContact O-CA 3.34Å; S134-H138 PolarHBondContact O-N 2.75Å
135	Q	98.2	Very high	98.3	Very high	120 Å²	120	50.5 Å²	50.5	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-66.4	-20.9	176.5	-70	173.9	2.2	0	0	112.9	E131 Q132 E133 H138	E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 2.8Å; E131-Q135 VanDerWaalsContact O-N 3.09Å; Q132-Q135 PolarHBondContact O-N 2.92Å; E133-Q135 VanDerWaalsContact C-N 3.31Å; E133-Q135 PolarHBondContact O-N 2.84Å; Q135-H138 PolarHBondContact O-NE2 3.29Å
136	I	98.1	Very high	98.3	Very high	120 Å²	120	51.5 Å²	51.5	62%	0.615	25%	0.251	S	S	*	.	H	α-helix	trans	-90.8	-47.5	179	-63.6	166.8	0	0	0	110.7	Q132 E133 S134	Q132-I136 WeakPolarHBondContact O-CG1 3.46Å; Q132-I136 PolarHBondContact O-N 3.41Å; E133-I136 PolarHBondContact O-N 3.13Å; E133-I136 VanDerWaalsContact O-N 3.09Å; S134-I136 PolarHBondContact O-N 3.2Å
137	F	98.1	Very high	98.3	Very high	71 Å²	71	51.4 Å²	51.4	31%	0.311	25%	0.251	S	S	.	.	H	α-helix	trans	-101.2	-20.9	-168	-65	-73	0	0	0	114.9	E133 D139	E133-F137 HydrophobicContact CG-CD2 3.75Å; E133-F137 HydrophobicContact CG-CE2 4.12Å; E133-F137 WeakPolarHBondContact O-CD2 3.47Å; E133-F137 PolarHBondContact O-N 3.06Å; F137-D139 VanDerWaalsContact C-N 3.3Å; F137-D139 WeakPolarHBondContact CB-OD1 3.42Å; F137-D139 PolarHBondContact O-N 3.17Å
138	H	97.7	Very high	98.2	Very high	98 Å²	98	51 Å²	51	45%	0.454	25%	0.251	S	S	.	.	S	Bend	trans	51.1	46.3	179.9	-65.1	-62.3	0	0	0	113.9	E69 K72 S134 Q135	E69-H138 WeakPolarHBondContact OE1-CA 3.42Å; E69-H138 IonicContact OE1-CG 3.84Å; E69-H138 IonicContact OE1-ND1 3.7Å; E69-H138 PolarHBondContact OE1-ND1 3.3Å; E69-H138 IonicContact OE2-CG 3.48Å; E69-H138 IonicContact OE2-ND1 2.68Å; K72-H138 PolarHBondContact NZ-O 3.24Å; S134-H138 WeakPolarHBondContact O-CA 3.34Å; S134-H138 PolarHBondContact O-N 2.75Å; Q135-H138 PolarHBondContact O-NE2 3.29Å
139	D	98.2	Very high	98	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.053	25%	0.246	C	C	.	.			trans	-141.5	16.3	-176.1	64.4	6.1	0	0	0	113.7	R98 L115 F116 F137	R98-D139 IonicContact CZ-OD1 3.28Å; R98-D139 IonicContact CZ-OD2 3.95Å; R98-D139 IonicContact NE-OD1 2.82Å; R98-D139 IonicContact NE-OD2 3.29Å; R98-D139 PolarHBondContact NE-OD2 3.01Å; R98-D139 IonicContact NH2-OD1 2.72Å; R98-D139 PolarHBondContact NH2-OD1 2.84Å; R98-D139 IonicContact NH2-OD2 2.71Å; R98-D139 PolarHBondContact NH2-OD2 3.46Å; L115-D139 CarbonylContact C-O 3.51Å; L115-D139 VanDerWaalsContact CA-O 3.31Å; L115-D139 WeakPolarHBondContact CA-O 3.34Å; F116-D139 HydrophobicContact CD2-CB 4.46Å; F116-D139 WeakPolarHBondContact CE2-OD2 3.34Å; F116-D139 PolarHBondContact N-O 3.49Å; F137-D139 VanDerWaalsContact C-N 3.3Å; F137-D139 WeakPolarHBondContact CB-OD1 3.42Å; F137-D139 PolarHBondContact O-N 3.17Å
140	I	98.9	Very high	97.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.1	-177.3	-61	-175.6	0	0	0	110.4	I67 F116 L118 V130 E133 V142	I67-I140 WeakPolarHBondContact CG2-O 3.37Å; F116-I140 HydrophobicContact CB-CG1 4.39Å; L118-I140 HydrophobicContact CD1-CG2 3.62Å; V130-I140 HydrophobicContact CG1-CD1 4.19Å; V130-I140 HydrophobicContact CG1-CG2 3.9Å; E133-I140 HydrophobicContact CB-CD1 4.05Å; E133-I140 HydrophobicContact CG-CD1 3.72Å; I140-V142 HydrophobicContact CG2-CG2 3.8Å
141	I	98.8	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.9	170.3	-51.4	-59.6	0	0	0	109	F65 I67 N68 E69 L115 F116 L117 L118 M158 W162	F65-I141 HydrophobicContact CD1-CG2 3.75Å; F65-I141 HydrophobicContact CE1-CG2 3.79Å; I67-I141 WeakPolarHBondContact O-CA 3.09Å; N68-I141 WeakPolarHBondContact O-CD1 3.43Å; E69-I141 HydrophobicContact CB-CD1 3.83Å; E69-I141 HydrophobicContact CG-CD1 4.15Å; L115-I141 HydrophobicContact CD2-CD1 4.25Å; L115-I141 HydrophobicContact CD2-CG1 4.17Å; F116-I141 PolarHBondContact O-N 3Å; L117-I141 HydrophobicContact CD2-CB 3.98Å; L117-I141 HydrophobicContact CD2-CG1 4.2Å; L118-I141 PolarHBondContact N-O 3.16Å; I141-M158 HydrophobicContact CG2-CE 4.19Å; I141-M158 HydrophobicContact CG2-CG 4.43Å; I141-M158 HydrophobicContact CG2-SD 4.21Å; I141-W162 HydrophobicContact CD1-CD2 4.45Å; I141-W162 HydrophobicContact CD1-CZ2 4.17Å; I141-W162 VanDerWaalsContact CD1-NE1 3.29Å; I141-W162 HydrophobicContact CG1-CG 4.48Å
142	V	98.8	Very high	97.9	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.5	176.3	-172.4	0	0	0	0	109.1	F65 L66 I67 L118 V130 I140	F65-V142 CarbonylContact C-O 3.49Å; F65-V142 WeakPolarHBondContact CA-O 3.3Å; L66-V142 HydrophobicContact CB-CB 4.26Å; L66-V142 HydrophobicContact CB-CG1 4.21Å; L66-V142 HydrophobicContact CD1-CG1 4.14Å; L66-V142 PolarHBondContact N-O 3.34Å; I67-V142 HydrophobicContact CB-CB 4.06Å; I67-V142 HydrophobicContact CB-CG2 4Å; I67-V142 HydrophobicContact CD1-CB 4.31Å; I67-V142 HydrophobicContact CD1-CG2 3.64Å; I67-V142 HydrophobicContact CG1-CB 4.01Å; I67-V142 HydrophobicContact CG1-CG2 3.87Å; I67-V142 PolarHBondContact N-O 3.28Å; I67-V142 VanDerWaalsContact N-O 3.13Å; I67-V142 PolarHBondContact O-N 3.32Å; L118-V142 HydrophobicContact CB-CG2 4.26Å; L118-V142 WeakPolarHBondContact O-CA 3.3Å; V130-V142 HydrophobicContact CG1-CG2 4.06Å; I140-V142 HydrophobicContact CG2-CG2 3.8Å
143	E	98.3	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.2	174.3	-158.2	-170.4	-141	0	0	110.4	H61 F63 E64 F65 L118 F145 M158 R161	H61-E143 IonicContact CD2-OE1 2.79Å; H61-E143 PolarHBondContact CD2-OE1 2.85Å; H61-E143 IonicContact CD2-OE2 3.42Å; H61-E143 IonicContact CE1-OE2 3.6Å; H61-E143 PolarHBondContact CE1-OE2 2.89Å; H61-E143 VanDerWaalsContact NE2-CD 3.31Å; H61-E143 IonicContact NE2-OE1 3.46Å; H61-E143 PolarHBondContact NE2-OE1 2.89Å; H61-E143 VanDerWaalsContact NE2-OE1 3.15Å; H61-E143 IonicContact NE2-OE2 3.57Å; H61-E143 PolarHBondContact NE2-OE2 3.14Å; F63-E143 VanDerWaalsContact CB-CD 3.45Å; F63-E143 HydrophobicContact CB-CG 3.5Å; F63-E143 VanDerWaalsContact CB-CG 3.5Å; E64-E143 CarbonylContact O-C 3.6Å; E64-E143 VanDerWaalsContact O-CA 3.25Å; E64-E143 WeakPolarHBondContact O-CA 3.25Å; E64-E143 WeakPolarHBondContact O-CG 3.34Å; F65-E143 HydrophobicContact CD1-CB 4.22Å; F65-E143 HydrophobicContact CD1-CG 4.15Å; F65-E143 HydrophobicContact CE1-CG 4.44Å; L118-E143 PolarHBondContact O-N 3.41Å; E143-F145 HydrophobicContact CB-CD1 4.15Å; E143-F145 HydrophobicContact CB-CE1 3.85Å; E143-F145 PolarHBondContact O-N 3.2Å; E143-F145 VanDerWaalsContact OE2-CE1 3.32Å; E143-F145 WeakPolarHBondContact OE2-CE1 3.31Å; E143-M158 HydrophobicContact CB-CG 3.82Å; E143-M158 HydrophobicContact CB-SD 3.26Å; E143-M158 WeakPolarHBondContact CB-SD 3.4Å; E143-M158 HydrophobicContact CG-CG 4.32Å; E143-M158 HydrophobicContact CG-SD 4.35Å; E143-M158 WeakPolarHBondContact OE2-CB 3.3Å; E143-M158 WeakPolarHBondContact OE2-CG 3.42Å; E143-R161 IonicContact OE1-CZ 2.79Å; E143-R161 IonicContact OE1-NH1 3.22Å; E143-R161 PolarHBondContact OE1-NH1 3.39Å
144	D	97.8	Very high	97.8	Very high	53 Å²	53	45.4 Å²	45.4	28%	0.283	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	24.9	-161.2	103.1	-53.5	0	0	0	117.1	F63 E64 L66 K120	F63-D144 WeakPolarHBondContact CA-OD1 3.31Å; F63-D144 WeakPolarHBondContact CB-OD1 3.32Å; F63-D144 VanDerWaalsContact CD1-OD1 3.28Å; F63-D144 WeakPolarHBondContact CD1-OD1 2.97Å; E64-D144 PolarHBondContact N-OD1 3.39Å; E64-D144 PolarHBondContact O-N 3.34Å; L66-D144 HydrophobicContact CD1-CB 4.1Å; L66-D144 HydrophobicContact CD2-CB 4.05Å; L66-D144 HydrophobicContact CG-CB 4.03Å; K120-D144 WeakPolarHBondContact CD-O 3.33Å; K120-D144 WeakPolarHBondContact CE-O 3.37Å; K120-D144 PolarHBondContact NZ-O 3.47Å; K120-D144 IonicContact NZ-OD2 3.67Å
145	F	97.7	Very high	97.8	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	151.5	170.4	63.1	-96.8	0	0	0	111.9	F63 G119 K120 E143 D147 N151 L154 K155 M158	F63-F145 HydrophobicContact CD1-CB 3.87Å; F63-F145 HydrophobicContact CD2-CD1 4.25Å; F63-F145 HydrophobicContact CE1-CB 3.72Å; F63-F145 HydrophobicContact CE2-CB 4.48Å; F63-F145 HydrophobicContact CG-CB 4.32Å; F63-F145 HydrophobicContact CG-CD1 4.23Å; F63-F145 HydrophobicContact CZ-CB 4.05Å; G119-F145 CarbonylContact C-O 3.54Å; G119-F145 VanDerWaalsContact CA-O 3.32Å; G119-F145 WeakPolarHBondContact CA-O 3.19Å; K120-F145 PolarHBondContact N-O 2.98Å; E143-F145 HydrophobicContact CB-CD1 4.15Å; E143-F145 HydrophobicContact CB-CE1 3.85Å; E143-F145 PolarHBondContact O-N 3.2Å; E143-F145 VanDerWaalsContact OE2-CE1 3.32Å; E143-F145 WeakPolarHBondContact OE2-CE1 3.31Å; F145-D147 PolarHBondContact O-N 3.5Å; F145-N151 HydrophobicContact CD2-CB 4.09Å; F145-N151 HydrophobicContact CE2-CB 4.37Å; F145-L154 HydrophobicContact CB-CD1 4.21Å; F145-L154 HydrophobicContact CD1-CB 4.19Å; F145-L154 HydrophobicContact CD2-CB 4.26Å; F145-L154 HydrophobicContact CD2-CD1 4.46Å; F145-L154 HydrophobicContact CE1-CB 4.2Å; F145-L154 HydrophobicContact CE2-CB 4.3Å; F145-L154 HydrophobicContact CG-CB 4.25Å; F145-L154 HydrophobicContact CG-CD1 4.22Å; F145-L154 HydrophobicContact CZ-CB 4.29Å; F145-K155 HydrophobicContact CE2-CB 4.12Å; F145-K155 HydrophobicContact CZ-CB 3.77Å; F145-K155 HydrophobicContact CZ-CG 4.36Å; F145-M158 HydrophobicContact CE1-CB 4.32Å; F145-M158 HydrophobicContact CE1-SD 3.92Å; F145-M158 HydrophobicContact CZ-SD 4.16Å
146	I	97.8	Very high	97.9	Very high	84 Å²	84	39.6 Å²	39.6	43%	0.431	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.4	178.2	-63.7	-65.8	0	0	0	110.5	K120 S148 N151	K120-I146 HydrophobicContact CD-CD1 4.49Å; K120-I146 HydrophobicContact CG-CD1 3.99Å; I146-S148 PolarHBondContact O-N 2.72Å; I146-N151 PolarHBondContact O-ND2 3.29Å
147	D	97.8	Very high	97.9	Very high	25 Å²	25	34 Å²	34	13%	0.134	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-70.1	117.1	175.7	-157.1	-26.8	0	0	0	110.9	G119 K120 F145 K155	G119-D147 PolarHBondContact N-OD2 2.64Å; K120-D147 PolarHBondContact O-N 2.88Å; F145-D147 PolarHBondContact O-N 3.5Å; D147-K155 WeakPolarHBondContact OD1-CE 3.32Å; D147-K155 IonicContact OD1-NZ 3.17Å; D147-K155 PolarHBondContact OD1-NZ 3.11Å; D147-K155 WeakPolarHBondContact OD2-CE 3.41Å; D147-K155 IonicContact OD2-NZ 3.49Å; D147-K155 PolarHBondContact OD2-NZ 3.24Å
148	S	96.9	Very high	97.9	Very high	40 Å²	40	30.7 Å²	30.7	28%	0.28	15%	0.152	S	C	.	.			trans	-157.1	161.9	176.6	71.4	0	0	0	0	110.6	I146 H150 N151 L152	I146-S148 PolarHBondContact O-N 2.72Å; S148-H150 PolarHBondContact O-N 3.33Å; S148-N151 CarbonylContact O-C 3.42Å; S148-N151 PolarHBondContact O-N 3.29Å; S148-N151 PolarHBondContact OG-N 2.63Å; S148-N151 PolarHBondContact OG-ND2 3.21Å; S148-L152 PolarHBondContact O-N 3.47Å
149	Y	94.7	Very high	98	Very high	99 Å²	99	26 Å²	26	39%	0.388	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-55.9	-39	173.7	-174.5	-100.2	0	0	0	112.2	N151 L152 K219 W220	Y149-N151 PolarHBondContact O-N 2.87Å; Y149-L152 HydrophobicContact CD2-CD1 3.49Å; Y149-L152 VanDerWaalsContact CD2-CD1 3.49Å; Y149-L152 HydrophobicContact CD2-CG 4.42Å; Y149-L152 HydrophobicContact CE2-CD1 3.55Å; Y149-L152 HydrophobicContact CG-CD1 4.23Å; Y149-L152 WeakPolarHBondContact O-CB 3.2Å; Y149-L152 VanDerWaalsContact O-CG 3.25Å; Y149-L152 WeakPolarHBondContact O-CG 3.38Å; Y149-L152 PolarHBondContact O-N 3.38Å; Y149-K219 HydrophobicContact CE1-CB 4.37Å; Y149-W220 PolarHBondContact OH-NE1 3.42Å
150	H	95.9	Very high	98	Very high	112 Å²	112	25.6 Å²	25.6	52%	0.519	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-68.5	-19.9	178	-72	-71.5	0	0	0	113.6	S148 H262	S148-H150 PolarHBondContact O-N 3.33Å; H150-H262 HydrophobicContact CB-CB 4.42Å; H150-H262 AromaticContact ND1-CD2 3.54Å; H150-H262 AromaticContact ND1-CG 3.81Å; H150-H262 WeakPolarHBondContact O-CB 3.39Å
151	N	97.5	Very high	97.9	Very high	44 Å²	44	28.2 Å²	28.2	24%	0.235	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-100	11.8	178.5	-69.1	-21.9	0	0	0	113.3	F145 I146 S148 Y149 T153 L154 K155	F145-N151 HydrophobicContact CD2-CB 4.09Å; F145-N151 HydrophobicContact CE2-CB 4.37Å; I146-N151 PolarHBondContact O-ND2 3.29Å; S148-N151 CarbonylContact O-C 3.42Å; S148-N151 PolarHBondContact O-N 3.29Å; S148-N151 PolarHBondContact OG-N 2.63Å; S148-N151 PolarHBondContact OG-ND2 3.21Å; Y149-N151 PolarHBondContact O-N 2.87Å; N151-T153 PolarHBondContact O-N 3.02Å; N151-L154 HydrophobicContact CB-CD1 4.29Å; N151-L154 WeakPolarHBondContact O-CB 3.42Å; N151-L154 PolarHBondContact O-N 3.13Å; N151-K155 PolarHBondContact O-N 2.96Å
152	L	98.3	Very high	97.9	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.168	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-33.1	174.9	-74.9	177.2	0	0	0	113	S148 Y149 K155 T156 E264	S148-L152 PolarHBondContact O-N 3.47Å; Y149-L152 HydrophobicContact CD2-CD1 3.49Å; Y149-L152 VanDerWaalsContact CD2-CD1 3.49Å; Y149-L152 HydrophobicContact CD2-CG 4.42Å; Y149-L152 HydrophobicContact CE2-CD1 3.55Å; Y149-L152 HydrophobicContact CG-CD1 4.23Å; Y149-L152 WeakPolarHBondContact O-CB 3.2Å; Y149-L152 VanDerWaalsContact O-CG 3.25Å; Y149-L152 WeakPolarHBondContact O-CG 3.38Å; Y149-L152 PolarHBondContact O-N 3.38Å; L152-K155 HydrophobicContact CD2-CD 4.42Å; L152-K155 PolarHBondContact O-N 3Å; L152-T156 PolarHBondContact O-N 3.08Å; L152-T156 PolarHBondContact O-OG1 2.92Å; L152-E264 HydrophobicContact CB-CB 4.05Å
153	T	98.2	Very high	97.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-44.5	175.5	-58.5	0	0	0	0	111.2	N151 K155 T156 L157 L260 L261 H262 E264 Y267	N151-T153 PolarHBondContact O-N 3.02Å; T153-K155 VanDerWaalsContact C-N 3.34Å; T153-K155 PolarHBondContact O-N 3Å; T153-T156 PolarHBondContact O-N 2.96Å; T153-L157 HydrophobicContact CG2-CD1 4.34Å; T153-L157 VanDerWaalsContact O-CG 3.29Å; T153-L157 WeakPolarHBondContact O-CG 3.25Å; T153-L157 PolarHBondContact O-N 3.42Å; T153-L260 HydrophobicContact CG2-CD1 3.53Å; T153-L260 HydrophobicContact CG2-CG 4.48Å; T153-L261 WeakPolarHBondContact CB-O 3.48Å; T153-L261 WeakPolarHBondContact CG2-O 3.13Å; T153-L261 PolarHBondContact OG1-O 3.34Å; T153-H262 PolarHBondContact OG1-O 3.5Å; T153-E264 WeakPolarHBondContact OG1-CA 3.37Å; T153-E264 PolarHBondContact OG1-N 3.33Å; T153-Y267 HydrophobicContact CG2-CD1 3.31Å; T153-Y267 HydrophobicContact CG2-CD2 4.36Å; T153-Y267 HydrophobicContact CG2-CE1 3.89Å; T153-Y267 HydrophobicContact CG2-CG 3.56Å
154	L	98.3	Very high	97.9	Very high	21 Å²	21	29 Å²	29	11%	0.11	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-44	175.2	-62.1	-179.9	0	0	0	110.9	H61 F63 F145 N151 T156 L157 M158 L260	H61-L154 PolarHBondContact CE1-O 3.47Å; F63-L154 HydrophobicContact CE2-CD1 3.97Å; F63-L154 HydrophobicContact CE2-CD2 4.05Å; F63-L154 HydrophobicContact CZ-CD1 3.95Å; F145-L154 HydrophobicContact CB-CD1 4.21Å; F145-L154 HydrophobicContact CD1-CB 4.19Å; F145-L154 HydrophobicContact CD2-CB 4.26Å; F145-L154 HydrophobicContact CD2-CD1 4.46Å; F145-L154 HydrophobicContact CE1-CB 4.2Å; F145-L154 HydrophobicContact CE2-CB 4.3Å; F145-L154 HydrophobicContact CG-CB 4.25Å; F145-L154 HydrophobicContact CG-CD1 4.22Å; F145-L154 HydrophobicContact CZ-CB 4.29Å; N151-L154 HydrophobicContact CB-CD1 4.29Å; N151-L154 WeakPolarHBondContact O-CB 3.42Å; N151-L154 PolarHBondContact O-N 3.13Å; L154-T156 VanDerWaalsContact C-N 3.35Å; L154-T156 PolarHBondContact O-N 2.02Å; L154-L157 PolarHBondContact O-N 3.38Å; L154-M158 WeakPolarHBondContact O-CB 3.44Å; L154-M158 PolarHBondContact O-N 2.89Å; L154-L260 HydrophobicContact CD2-CD1 4.43Å; L154-L260 HydrophobicContact CD2-CD2 3.86Å; L154-L260 HydrophobicContact CG-CD2 4.49Å
155	K	98.6	Very high	97.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-39.9	176.9	-172.7	-178.4	-69.2	-173.3	0	113.2	T86 L117 F145 D147 N151 L152 T153 M158 G159	T86-K155 PolarHBondContact O-NZ 3.38Å; L117-K155 HydrophobicContact CB-CD 4.18Å; L117-K155 HydrophobicContact CB-CG 3.84Å; L117-K155 WeakPolarHBondContact O-CD 3.22Å; F145-K155 HydrophobicContact CE2-CB 4.12Å; F145-K155 HydrophobicContact CZ-CB 3.77Å; F145-K155 HydrophobicContact CZ-CG 4.36Å; D147-K155 WeakPolarHBondContact OD1-CE 3.32Å; D147-K155 IonicContact OD1-NZ 3.17Å; D147-K155 PolarHBondContact OD1-NZ 3.11Å; D147-K155 WeakPolarHBondContact OD2-CE 3.41Å; D147-K155 IonicContact OD2-NZ 3.49Å; D147-K155 PolarHBondContact OD2-NZ 3.24Å; N151-K155 PolarHBondContact O-N 2.96Å; L152-K155 HydrophobicContact CD2-CD 4.42Å; L152-K155 PolarHBondContact O-N 3Å; T153-K155 VanDerWaalsContact C-N 3.34Å; T153-K155 PolarHBondContact O-N 3Å; K155-M158 HydrophobicContact CG-CE 4.07Å; K155-M158 WeakPolarHBondContact O-CB 3.19Å; K155-G159 PolarHBondContact O-N 2.88Å; K155-G159 VanDerWaalsContact O-N 3.13Å
156	T	98.7	Very high	97.9	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-43.1	174.7	-68.4	0	0	0	0	111.2	L152 T153 L154 M158 G159 M160 Y241 E264 V268	L152-T156 PolarHBondContact O-N 3.08Å; L152-T156 PolarHBondContact O-OG1 2.92Å; T153-T156 PolarHBondContact O-N 2.96Å; L154-T156 VanDerWaalsContact C-N 3.35Å; L154-T156 PolarHBondContact O-N 2.02Å; T156-M158 VanDerWaalsContact C-N 3.29Å; T156-M158 PolarHBondContact O-N 3.1Å; T156-G159 WeakPolarHBondContact O-CA 3.5Å; T156-G159 PolarHBondContact O-N 3.12Å; T156-G159 VanDerWaalsContact O-N 3.08Å; T156-M160 HydrophobicContact CG2-CE 3.8Å; T156-M160 HydrophobicContact CG2-CG 4.32Å; T156-M160 VanDerWaalsContact O-CG 3.3Å; T156-M160 WeakPolarHBondContact O-CG 3.27Å; T156-M160 PolarHBondContact O-N 3.1Å; T156-Y241 WeakPolarHBondContact CG2-OH 3.44Å; T156-E264 HydrophobicContact CG2-CG 4.06Å; T156-E264 WeakPolarHBondContact CG2-OE1 3.19Å; T156-E264 VanDerWaalsContact OG1-CD 3.3Å; T156-E264 WeakPolarHBondContact OG1-CG 3.46Å; T156-V268 HydrophobicContact CG2-CG2 4.2Å
157	L	98.6	Very high	97.9	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-36.6	176.5	-69.3	-179.1	0	0	0	112.7	T153 L154 M160 R161 I251 L260 Y267	T153-L157 HydrophobicContact CG2-CD1 4.34Å; T153-L157 VanDerWaalsContact O-CG 3.29Å; T153-L157 WeakPolarHBondContact O-CG 3.25Å; T153-L157 PolarHBondContact O-N 3.42Å; L154-L157 PolarHBondContact O-N 3.38Å; L157-M160 PolarHBondContact O-N 3.35Å; L157-R161 VanDerWaalsContact O-CB 3.28Å; L157-R161 WeakPolarHBondContact O-CB 3.47Å; L157-R161 PolarHBondContact O-N 3.02Å; L157-I251 HydrophobicContact CD2-CG2 4.23Å; L157-L260 HydrophobicContact CD1-CD1 4.26Å; L157-Y267 HydrophobicContact CD1-CE1 3.87Å; L157-Y267 HydrophobicContact CD2-CE1 4.12Å; L157-Y267 HydrophobicContact CG-CE1 4.33Å
158	M	98.6	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-50	169	175	-167.4	80.8	0	0	110.7	F65 L117 I141 E143 F145 L154 K155 T156 M160 R161 W162	F65-M158 HydrophobicContact CE1-CG 3.76Å; L117-M158 HydrophobicContact CB-CE 3.49Å; L117-M158 VanDerWaalsContact CB-CE 3.49Å; L117-M158 HydrophobicContact CD1-CE 4.2Å; L117-M158 HydrophobicContact CD2-CE 3.79Å; L117-M158 HydrophobicContact CG-CE 4.01Å; I141-M158 HydrophobicContact CG2-CE 4.19Å; I141-M158 HydrophobicContact CG2-CG 4.43Å; I141-M158 HydrophobicContact CG2-SD 4.21Å; E143-M158 HydrophobicContact CB-CG 3.82Å; E143-M158 HydrophobicContact CB-SD 3.26Å; E143-M158 WeakPolarHBondContact CB-SD 3.4Å; E143-M158 HydrophobicContact CG-CG 4.32Å; E143-M158 HydrophobicContact CG-SD 4.35Å; E143-M158 WeakPolarHBondContact OE2-CB 3.3Å; E143-M158 WeakPolarHBondContact OE2-CG 3.42Å; F145-M158 HydrophobicContact CE1-CB 4.32Å; F145-M158 HydrophobicContact CE1-SD 3.92Å; F145-M158 HydrophobicContact CZ-SD 4.16Å; L154-M158 WeakPolarHBondContact O-CB 3.44Å; L154-M158 PolarHBondContact O-N 2.89Å; K155-M158 HydrophobicContact CG-CE 4.07Å; K155-M158 WeakPolarHBondContact O-CB 3.19Å; T156-M158 VanDerWaalsContact C-N 3.29Å; T156-M158 PolarHBondContact O-N 3.1Å; M158-M160 PolarHBondContact O-N 2.95Å; M158-R161 WeakPolarHBondContact O-CB 3.45Å; M158-R161 PolarHBondContact O-N 2.93Å; M158-W162 VanDerWaalsContact O-CB 3.25Å; M158-W162 WeakPolarHBondContact O-CB 3.29Å; M158-W162 PolarHBondContact O-N 3.46Å
159	G	98.7	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-43.3	175.7	0	0	0	0	0	113.5	K155 T156 W162 V163	K155-G159 PolarHBondContact O-N 2.88Å; K155-G159 VanDerWaalsContact O-N 3.13Å; T156-G159 WeakPolarHBondContact O-CA 3.5Å; T156-G159 PolarHBondContact O-N 3.12Å; T156-G159 VanDerWaalsContact O-N 3.08Å; G159-W162 PolarHBondContact O-N 2.58Å; G159-V163 WeakPolarHBondContact O-CG2 3.44Å; G159-V163 PolarHBondContact O-N 3.37Å
160	M	98.6	Very high	98	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-45.8	176.6	-62.7	-66.2	176.6	0	0	111.7	T156 L157 M158 W162 A164 Y241 F243 A248 I251	T156-M160 HydrophobicContact CG2-CE 3.8Å; T156-M160 HydrophobicContact CG2-CG 4.32Å; T156-M160 VanDerWaalsContact O-CG 3.3Å; T156-M160 WeakPolarHBondContact O-CG 3.27Å; T156-M160 PolarHBondContact O-N 3.1Å; L157-M160 PolarHBondContact O-N 3.35Å; M158-M160 PolarHBondContact O-N 2.95Å; M160-W162 VanDerWaalsContact C-N 3.33Å; M160-A164 WeakPolarHBondContact O-CB 3.34Å; M160-A164 PolarHBondContact O-N 3.48Å; M160-Y241 HydrophobicContact CE-CE2 4.17Å; M160-F243 HydrophobicContact CE-CE1 3.78Å; M160-F243 HydrophobicContact CE-CE2 4.05Å; M160-F243 HydrophobicContact CE-CZ 3.35Å; M160-F243 HydrophobicContact SD-CE1 4.33Å; M160-F243 HydrophobicContact SD-CE2 3.58Å; M160-F243 VanDerWaalsContact SD-CE2 3.58Å; M160-F243 HydrophobicContact SD-CZ 3.33Å; M160-F243 WeakPolarHBondContact SD-CZ 3.2Å; M160-A248 HydrophobicContact SD-CB 4.08Å; M160-I251 HydrophobicContact CE-CD1 4.17Å; M160-I251 HydrophobicContact CG-CG2 4.28Å; M160-I251 HydrophobicContact SD-CD1 4.44Å
161	R	98.2	Very high	98.1	Very high	55 Å²	55	30.7 Å²	30.7	21%	0.208	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-46.7	174.7	178.7	-173.5	162.2	-177	-1.9	110.5	H61 F63 E143 L157 M158 A164 T165 Y252	H61-R161 PolarHBondContact O-NH1 2.92Å; F63-R161 PolarHBondContact O-NH1 3.19Å; E143-R161 IonicContact OE1-CZ 2.79Å; E143-R161 IonicContact OE1-NH1 3.22Å; E143-R161 PolarHBondContact OE1-NH1 3.39Å; L157-R161 VanDerWaalsContact O-CB 3.28Å; L157-R161 WeakPolarHBondContact O-CB 3.47Å; L157-R161 PolarHBondContact O-N 3.02Å; M158-R161 WeakPolarHBondContact O-CB 3.45Å; M158-R161 PolarHBondContact O-N 2.93Å; R161-A164 PolarHBondContact O-N 3Å; R161-T165 WeakPolarHBondContact O-CB 3.17Å; R161-T165 PolarHBondContact O-N 2.9Å; R161-T165 PolarHBondContact O-OG1 2.85Å; R161-Y252 HydrophobicContact CB-CD1 4.36Å; R161-Y252 HydrophobicContact CB-CD2 3.69Å; R161-Y252 HydrophobicContact CB-CE1 4.28Å; R161-Y252 HydrophobicContact CB-CE2 3.61Å; R161-Y252 HydrophobicContact CB-CG 4.08Å; R161-Y252 HydrophobicContact CG-CD1 4.49Å; R161-Y252 HydrophobicContact CG-CD2 4.39Å; R161-Y252 HydrophobicContact CG-CE1 4.01Å; R161-Y252 HydrophobicContact CG-CE2 3.91Å
162	W	98.6	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-47.4	-177.6	-170.7	95.7	0	0	0	111.2	F65 N68 E69 K72 L115 I141 M158 G159 M160 A164 T165 F166 C167	F65-W162 HydrophobicContact CE1-CB 4.47Å; F65-W162 AromaticContact CE1-CD1 3.98Å; F65-W162 HydrophobicContact CZ-CB 4.26Å; N68-W162 PolarHBondContact O-NE1 2.94Å; N68-W162 VanDerWaalsContact OD1-CD1 3.29Å; N68-W162 PolarHBondContact OD1-NE1 2.84Å; E69-W162 WeakPolarHBondContact O-CZ2 3.43Å; K72-W162 HydrophobicContact CB-CH2 4.04Å; K72-W162 HydrophobicContact CB-CZ2 4.29Å; K72-W162 HydrophobicContact CG-CH2 4.47Å; L115-W162 HydrophobicContact CD1-CD2 4.32Å; L115-W162 HydrophobicContact CD1-CE3 3.63Å; L115-W162 HydrophobicContact CD1-CH2 3.3Å; L115-W162 HydrophobicContact CD1-CZ2 4.01Å; L115-W162 HydrophobicContact CD1-CZ3 3.06Å; L115-W162 HydrophobicContact CD2-CH2 4.38Å; L115-W162 HydrophobicContact CG-CH2 4.45Å; L115-W162 HydrophobicContact CG-CZ3 4.49Å; I141-W162 HydrophobicContact CD1-CD2 4.45Å; I141-W162 HydrophobicContact CD1-CZ2 4.17Å; I141-W162 VanDerWaalsContact CD1-NE1 3.29Å; I141-W162 HydrophobicContact CG1-CG 4.48Å; M158-W162 VanDerWaalsContact O-CB 3.25Å; M158-W162 WeakPolarHBondContact O-CB 3.29Å; M158-W162 PolarHBondContact O-N 3.46Å; G159-W162 PolarHBondContact O-N 2.58Å; M160-W162 VanDerWaalsContact C-N 3.33Å; W162-A164 PolarHBondContact O-N 2.8Å; W162-T165 PolarHBondContact O-N 2.79Å; W162-F166 AromaticContact CD1-CD2 3.51Å; W162-F166 AromaticContact CD1-CE2 3.77Å; W162-F166 HydrophobicContact CD2-CB 4.46Å; W162-F166 AromaticContact CD2-CD2 3.99Å; W162-F166 HydrophobicContact CD2-CD2 3.99Å; W162-F166 AromaticContact CE2-CD2 3.7Å; W162-F166 AromaticContact CG-CD2 3.86Å; W162-F166 HydrophobicContact CG-CD2 3.86Å; W162-F166 HydrophobicContact CG-CE2 4.43Å; W162-F166 HydrophobicContact CH2-CB 4.33Å; W162-F166 HydrophobicContact CZ2-CB 4.08Å; W162-F166 HydrophobicContact CZ2-CD2 4.38Å; W162-F166 AromaticContact NE1-CD2 3.37Å; W162-F166 AromaticContact NE1-CE2 3.84Å; W162-F166 PolarHBondContact O-N 2.82Å; W162-C167 WeakPolarHBondContact CH2-SG 3.11Å; W162-C167 HydrophobicContact CZ3-CB 4.29Å; W162-C167 WeakPolarHBondContact CZ3-SG 3.34Å
163	V	98.6	Very high	98.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-45	174.8	171.5	0	0	0	0	111.5	V81 L83 G159 T165 C167 S168 V173 A248	V81-V163 HydrophobicContact CB-CG2 4.38Å; V81-V163 HydrophobicContact CG1-CG2 3.94Å; L83-V163 HydrophobicContact CD1-CG2 3.94Å; L83-V163 HydrophobicContact CD2-CG2 4.06Å; L83-V163 HydrophobicContact CG-CG2 4.35Å; G159-V163 WeakPolarHBondContact O-CG2 3.44Å; G159-V163 PolarHBondContact O-N 3.37Å; V163-T165 PolarHBondContact O-N 3.38Å; V163-C167 HydrophobicContact CG1-CB 4.31Å; V163-C167 CarbonylContact O-C 3.46Å; V163-C167 VanDerWaalsContact O-CA 3.31Å; V163-C167 WeakPolarHBondContact O-CA 3.47Å; V163-C167 PolarHBondContact O-N 3.4Å; V163-S168 PolarHBondContact O-N 2.79Å; V163-S168 VanDerWaalsContact O-N 3.08Å; V163-V173 HydrophobicContact CG1-CG2 3.74Å; V163-V173 HydrophobicContact CG2-CG1 4.29Å; V163-V173 HydrophobicContact CG2-CG2 4.33Å; V163-A248 HydrophobicContact CB-CB 4.2Å; V163-A248 HydrophobicContact CG1-CB 4.01Å
164	A	98.1	Very high	98.3	Very high	23 Å²	23	27 Å²	27	19%	0.19	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-32.3	178.6	0	0	0	0	0	112.5	M160 R161 W162 E249	M160-A164 WeakPolarHBondContact O-CB 3.34Å; M160-A164 PolarHBondContact O-N 3.48Å; R161-A164 PolarHBondContact O-N 3Å; W162-A164 PolarHBondContact O-N 2.8Å; A164-E249 HydrophobicContact CB-CB 3.79Å; A164-E249 HydrophobicContact CB-CG 4.13Å
165	T	97.6	Very high	98.3	Very high	80 Å²	80	26.2 Å²	26.2	49%	0.491	14%	0.137	S	C	.	.	H	α-helix	trans	-84.1	-51.5	-177.4	-52.5	0	0	0	0	111.9	R161 W162 V163	R161-T165 WeakPolarHBondContact O-CB 3.17Å; R161-T165 PolarHBondContact O-N 2.9Å; R161-T165 PolarHBondContact O-OG1 2.85Å; W162-T165 PolarHBondContact O-N 2.79Å; V163-T165 PolarHBondContact O-N 3.38Å
166	F	98.1	Very high	98.3	Very high	57 Å²	57	26.1 Å²	26.1	25%	0.25	14%	0.136	C	C	.	.	H	α-helix	trans	-105.6	-18.6	-167.8	-57.4	-67.6	0	0	0	113.9	F65 N68 P70 C73 W162	F65-F166 HydrophobicContact CE2-CE2 4.26Å; N68-F166 WeakPolarHBondContact ND2-CZ 3.22Å; N68-F166 VanDerWaalsContact OD1-CE2 3.24Å; N68-F166 WeakPolarHBondContact OD1-CE2 3.14Å; P70-F166 HydrophobicContact CB-CD1 3.79Å; P70-F166 HydrophobicContact CB-CE1 3.6Å; P70-F166 HydrophobicContact CB-CZ 4.17Å; C73-F166 VanDerWaalsContact CB-O 3.3Å; C73-F166 WeakPolarHBondContact CB-O 3.25Å; W162-F166 AromaticContact CD1-CD2 3.51Å; W162-F166 AromaticContact CD1-CE2 3.77Å; W162-F166 HydrophobicContact CD2-CB 4.46Å; W162-F166 AromaticContact CD2-CD2 3.99Å; W162-F166 HydrophobicContact CD2-CD2 3.99Å; W162-F166 AromaticContact CE2-CD2 3.7Å; W162-F166 AromaticContact CG-CD2 3.86Å; W162-F166 HydrophobicContact CG-CD2 3.86Å; W162-F166 HydrophobicContact CG-CE2 4.43Å; W162-F166 HydrophobicContact CH2-CB 4.33Å; W162-F166 HydrophobicContact CZ2-CB 4.08Å; W162-F166 HydrophobicContact CZ2-CD2 4.38Å; W162-F166 AromaticContact NE1-CD2 3.37Å; W162-F166 AromaticContact NE1-CE2 3.84Å; W162-F166 PolarHBondContact O-N 2.82Å
167	C	97.7	Very high	98.3	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.027	14%	0.143	C	C	.	.			trans	-131.3	32.8	-175.9	-55.1	0	0	0	0	113.3	C73 V81 W162 V163 K169 A170	C73-C167 HydrophobicContact CB-CB 3.79Å; C73-C167 WeakPolarHBondContact CB-SG 3.18Å; C73-C167 WeakPolarHBondContact SG-CB 3.49Å; C73-C167 CovalentContact SG-SG 2.02Å; C73-C167 PolarHBondContact SG-SG 3.46Å; V81-C167 HydrophobicContact CG2-CB 4.09Å; W162-C167 WeakPolarHBondContact CH2-SG 3.11Å; W162-C167 HydrophobicContact CZ3-CB 4.29Å; W162-C167 WeakPolarHBondContact CZ3-SG 3.34Å; V163-C167 HydrophobicContact CG1-CB 4.31Å; V163-C167 CarbonylContact O-C 3.46Å; V163-C167 VanDerWaalsContact O-CA 3.31Å; V163-C167 WeakPolarHBondContact O-CA 3.47Å; V163-C167 PolarHBondContact O-N 3.4Å; C167-K169 PolarHBondContact O-N 3.42Å; C167-A170 HydrophobicContact CB-CB 4.46Å; C167-A170 WeakPolarHBondContact O-CB 3.2Å; C167-A170 PolarHBondContact O-N 2.74Å
168	S	96.3	Very high	98.3	Very high	82 Å²	82	27.6 Å²	27.6	57%	0.573	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.1	-174.9	60.2	0	0	0	0	114.9	V163	V163-S168 PolarHBondContact O-N 2.79Å; V163-S168 VanDerWaalsContact O-N 3.08Å
169	K	97	Very high	98.3	Very high	138 Å²	138	30 Å²	30	60%	0.6	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.5	178.8	-63.4	-178.6	-177	172.4	0	114.3	I77 C167 K171	I77-K169 HydrophobicContact CD1-CB 3.97Å; I77-K169 HydrophobicContact CD1-CD 3.66Å; I77-K169 HydrophobicContact CD1-CG 4.46Å; I77-K169 HydrophobicContact CG1-CB 4.11Å; I77-K169 HydrophobicContact CG1-CD 4.27Å; I77-K169 HydrophobicContact CG2-CB 3.64Å; I77-K169 VanDerWaalsContact CG2-O 3.22Å; I77-K169 WeakPolarHBondContact CG2-O 3.48Å; C167-K169 PolarHBondContact O-N 3.42Å; K169-K171 PolarHBondContact O-NZ 2.84Å
170	A	98.3	Very high	98.3	Very high	9 Å²	9	30 Å²	30	7%	0.074	16%	0.158	C	C	.	.			trans	-56.7	159.6	176.5	0	0	0	0	0	111.5	P78 V81 C167 A245	P78-A170 HydrophobicContact CG-CB 4.01Å; P78-A170 VanDerWaalsContact O-CA 3.26Å; P78-A170 WeakPolarHBondContact O-CA 3.29Å; V81-A170 HydrophobicContact CG2-CB 3.87Å; C167-A170 HydrophobicContact CB-CB 4.46Å; C167-A170 WeakPolarHBondContact O-CB 3.2Å; C167-A170 PolarHBondContact O-N 2.74Å; A170-A245 HydrophobicContact CB-CB 4.03Å; A170-A245 WeakPolarHBondContact O-CB 3.26Å
171	K	98.3	Very high	98.3	Very high	85 Å²	85	30 Å²	30	37%	0.37	16%	0.158	S	C	.	.	S	Bend	trans	-94.8	-45.8	-179.9	-53.8	-47.9	179.7	-154.2	0	111.9	F79 K169 P198 S244 A245	F79-K171 HydrophobicContact CD2-CB 4.07Å; F79-K171 HydrophobicContact CD2-CG 4.02Å; F79-K171 HydrophobicContact CE2-CB 4.31Å; F79-K171 WeakPolarHBondContact O-CB 3.23Å; F79-K171 PolarHBondContact O-N 3.25Å; K169-K171 PolarHBondContact O-NZ 2.84Å; K171-P198 HydrophobicContact CB-CB 4.24Å; K171-P198 HydrophobicContact CB-CG 4.24Å; K171-P198 HydrophobicContact CD-CB 4.36Å; K171-P198 HydrophobicContact CD-CG 3.93Å; K171-P198 HydrophobicContact CG-CG 4.03Å; K171-S244 WeakPolarHBondContact O-CA 3.32Å; K171-A245 PolarHBondContact O-N 2.71Å
172	Y	98.9	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.8	-178.8	-62.4	-76.8	0	0	0	111.2	F79 L80 V81 L192 P198 R199 Y202 F243	F79-Y172 HydrophobicContact CE1-CD2 4.14Å; F79-Y172 HydrophobicContact CE2-CD2 4.04Å; F79-Y172 AromaticContact CE2-CE2 3.99Å; F79-Y172 HydrophobicContact CE2-CE2 3.99Å; F79-Y172 AromaticContact CZ-CD2 3.74Å; F79-Y172 HydrophobicContact CZ-CD2 3.74Å; F79-Y172 AromaticContact CZ-CE2 3.77Å; F79-Y172 HydrophobicContact CZ-CE2 3.77Å; F79-Y172 PolarHBondContact O-N 3.41Å; L80-Y172 WeakPolarHBondContact CA-O 3.43Å; V81-Y172 PolarHBondContact N-O 3.32Å; Y172-L192 HydrophobicContact CD1-CD2 3.52Å; Y172-L192 HydrophobicContact CD2-CB 4.18Å; Y172-L192 HydrophobicContact CD2-CD1 3.96Å; Y172-L192 HydrophobicContact CD2-CD2 3.68Å; Y172-L192 HydrophobicContact CD2-CG 4.15Å; Y172-L192 HydrophobicContact CE1-CD2 3.74Å; Y172-L192 HydrophobicContact CE2-CB 4.11Å; Y172-L192 HydrophobicContact CE2-CD2 3.87Å; Y172-L192 HydrophobicContact CE2-CG 4.44Å; Y172-L192 HydrophobicContact CG-CD1 4.03Å; Y172-L192 HydrophobicContact CG-CD2 3.47Å; Y172-L192 VanDerWaalsContact CG-CD2 3.47Å; Y172-L192 HydrophobicContact CG-CG 4.28Å; Y172-P198 HydrophobicContact CE2-CB 4.39Å; Y172-R199 HydrophobicContact CE1-CB 4.38Å; Y172-R199 PolarHBondContact OH-N 3.3Å; Y172-Y202 HydrophobicContact CE1-CD1 4.25Å; Y172-F243 CarbonylContact C-O 3.54Å; Y172-F243 VanDerWaalsContact CA-O 3.29Å; Y172-F243 WeakPolarHBondContact CA-O 3.39Å
173	V	98.9	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.2	174.5	-174.5	0	0	0	0	108.1	V81 L83 V163 I242 F243 A245	V81-V173 CarbonylContact O-C 3.57Å; V81-V173 VanDerWaalsContact O-CA 3.24Å; V81-V173 WeakPolarHBondContact O-CA 3.38Å; L83-V173 HydrophobicContact CD1-CG1 3.71Å; L83-V173 HydrophobicContact CG-CG1 3.98Å; V163-V173 HydrophobicContact CG1-CG2 3.74Å; V163-V173 HydrophobicContact CG2-CG1 4.29Å; V163-V173 HydrophobicContact CG2-CG2 4.33Å; V173-I242 WeakPolarHBondContact O-CA 3.42Å; V173-F243 HydrophobicContact CB-CD1 4.42Å; V173-F243 HydrophobicContact CB-CD2 4.05Å; V173-F243 HydrophobicContact CB-CE1 3.9Å; V173-F243 HydrophobicContact CB-CE2 3.53Å; V173-F243 HydrophobicContact CB-CG 4.48Å; V173-F243 HydrophobicContact CB-CZ 3.43Å; V173-F243 VanDerWaalsContact CB-CZ 3.43Å; V173-F243 HydrophobicContact CG1-CE1 3.87Å; V173-F243 HydrophobicContact CG1-CE2 3.9Å; V173-F243 HydrophobicContact CG1-CZ 3.33Å; V173-F243 HydrophobicContact CG2-CD2 4.47Å; V173-F243 HydrophobicContact CG2-CE2 3.94Å; V173-F243 HydrophobicContact CG2-CZ 4.25Å; V173-F243 PolarHBondContact N-O 2.81Å; V173-F243 PolarHBondContact O-N 3.37Å; V173-A245 HydrophobicContact CG2-CB 4.07Å
174	M	98.9	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.5	166.4	-173.4	163.2	177.8	0	0	109.1	L80 V81 I82 L83 T176 V182 L187 Y241 I242 T302	L80-M174 HydrophobicContact CD1-CB 4.25Å; V81-M174 PolarHBondContact O-N 3.05Å; I82-M174 HydrophobicContact CB-CB 4.48Å; I82-M174 HydrophobicContact CG1-CB 4.4Å; I82-M174 HydrophobicContact CG2-CB 4.18Å; I82-M174 HydrophobicContact CG2-CG 4.38Å; I82-M174 HydrophobicContact CG2-SD 4.46Å; L83-M174 WeakPolarHBondContact CB-O 3.24Å; L83-M174 PolarHBondContact N-O 3.17Å; M174-T176 HydrophobicContact CE-CG2 4.18Å; M174-V182 HydrophobicContact CE-CB 4.33Å; M174-V182 HydrophobicContact CE-CG1 3.85Å; M174-V182 HydrophobicContact CE-CG2 3.46Å; M174-V182 VanDerWaalsContact CE-CG2 3.46Å; M174-V182 HydrophobicContact SD-CG1 4.1Å; M174-V182 HydrophobicContact SD-CG2 4.34Å; M174-L187 HydrophobicContact SD-CD2 3.56Å; M174-L187 VanDerWaalsContact SD-CD2 3.56Å; M174-Y241 WeakPolarHBondContact CA-O 3.42Å; M174-I242 HydrophobicContact CB-CD1 3.3Å; M174-I242 HydrophobicContact CG-CD1 3.47Å; M174-I242 VanDerWaalsContact CG-CD1 3.47Å; M174-I242 HydrophobicContact CG-CG1 4.45Å; M174-I242 HydrophobicContact SD-CD1 3.81Å; M174-T302 HydrophobicContact CE-CG2 3.85Å
175	K	98.9	Very high	98.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.4	157.9	-175.1	-84.4	-172.5	-173.4	0	107.7	L83 D177 G238 G240 Y241 E264	L83-K175 WeakPolarHBondContact O-CA 3.4Å; K175-D177 IonicContact NZ-OD1 3.93Å; K175-D177 PolarHBondContact NZ-OD1 2.74Å; K175-G238 PolarHBondContact NZ-O 2.91Å; K175-G240 WeakPolarHBondContact O-CA 3.37Å; K175-Y241 HydrophobicContact CB-CD2 3.96Å; K175-Y241 HydrophobicContact CB-CE1 4.24Å; K175-Y241 HydrophobicContact CB-CE2 3.39Å; K175-Y241 HydrophobicContact CD-CE1 3.83Å; K175-Y241 HydrophobicContact CG-CE1 4.33Å; K175-Y241 HydrophobicContact CG-CE2 4.15Å; K175-Y241 PolarHBondContact N-O 3.39Å; K175-Y241 PolarHBondContact O-N 3.09Å; K175-E264 WeakPolarHBondContact CE-OE2 3.35Å; K175-E264 IonicContact NZ-OE2 3.63Å; K175-E264 PolarHBondContact NZ-OE2 3.08Å
176	T	98.8	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	171.7	174.4	-166.7	0	0	0	0	111.2	I82 L83 I84 S85 W101 M174 I180 T239	I82-T176 HydrophobicContact CG2-CG2 4.26Å; L83-T176 PolarHBondContact O-N 3.05Å; I84-T176 WeakPolarHBondContact CA-O 3.49Å; I84-T176 HydrophobicContact CB-CG2 4.43Å; I84-T176 HydrophobicContact CG1-CG2 3.85Å; I84-T176 HydrophobicContact CG2-CG2 4.39Å; S85-T176 PolarHBondContact N-O 2.79Å; W101-T176 HydrophobicContact CH2-CG2 3.91Å; M174-T176 HydrophobicContact CE-CG2 4.18Å; T176-I180 WeakPolarHBondContact OG1-CB 3.31Å; T176-I180 WeakPolarHBondContact OG1-CG1 3.44Å; T176-I180 WeakPolarHBondContact OG1-CG2 3.27Å; T176-T239 PolarHBondContact OG1-O 3.27Å
177	D	98.5	Very high	98.1	Very high	32 Å²	32	23.8 Å²	23.8	17%	0.171	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	167.5	174.3	-55.8	-28	0	0	0	110.8	K175 D179 I180	K175-D177 IonicContact NZ-OD1 3.93Å; K175-D177 PolarHBondContact NZ-OD1 2.74Å; D177-D179 VanDerWaalsContact C-N 3.31Å; D177-D179 PolarHBondContact O-N 3.44Å; D177-I180 HydrophobicContact CB-CG1 3.99Å; D177-I180 WeakPolarHBondContact O-CG1 3.25Å
178	S	98.5	Very high	98.1	Very high	8 Å²	8	23.6 Å²	23.6	6%	0.056	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.9	-178.5	40.7	0	0	0	0	114.6	S85 E90 I180	S85-S178 PolarHBondContact O-N 2.84Å; E90-S178 VanDerWaalsContact CD-OG 3.25Å; E90-S178 PolarHBondContact OE1-OG 3.23Å; E90-S178 PolarHBondContact OE2-OG 3.3Å; S178-I180 VanDerWaalsContact C-N 3.32Å
179	D	98.4	Very high	98.2	Very high	50 Å²	50	24.9 Å²	24.9	27%	0.267	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	25.7	-178.6	73.2	-26	0	0	0	112.8	D177 H304 Q305 I306	D177-D179 VanDerWaalsContact C-N 3.31Å; D177-D179 PolarHBondContact O-N 3.44Å; D179-H304 CarbonylContact O-C 3.58Å; D179-H304 IonicContact OD1-CD2 3.06Å; D179-H304 PolarHBondContact OD1-CD2 3.22Å; D179-H304 IonicContact OD1-NE2 2.61Å; D179-H304 IonicContact OD2-CD2 3.64Å; D179-H304 PolarHBondContact OD2-CD2 3.18Å; D179-H304 IonicContact OD2-NE2 3.63Å; D179-H304 PolarHBondContact OD2-NE2 3.39Å; D179-Q305 PolarHBondContact O-N 3.18Å; D179-I306 PolarHBondContact O-N 3.37Å
180	I	98.6	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.			trans	-111	129	-178.1	-52	-61.9	0	0	0	110.1	W101 T176 D177 S178 V182 T239 T302 V303 H304	W101-I180 WeakPolarHBondContact CZ2-O 3.4Å; W101-I180 PolarHBondContact NE1-O 3.12Å; T176-I180 WeakPolarHBondContact OG1-CB 3.31Å; T176-I180 WeakPolarHBondContact OG1-CG1 3.44Å; T176-I180 WeakPolarHBondContact OG1-CG2 3.27Å; D177-I180 HydrophobicContact CB-CG1 3.99Å; D177-I180 WeakPolarHBondContact O-CG1 3.25Å; S178-I180 VanDerWaalsContact C-N 3.32Å; I180-V182 HydrophobicContact CG2-CG2 4.08Å; I180-T239 HydrophobicContact CD1-CG2 4.45Å; I180-T239 WeakPolarHBondContact CD1-O 3.45Å; I180-T239 WeakPolarHBondContact CG1-O 3.41Å; I180-T302 HydrophobicContact CG2-CG2 4.1Å; I180-V303 WeakPolarHBondContact CA-O 3.39Å; I180-H304 HydrophobicContact CD1-CB 3.75Å; I180-H304 VanDerWaalsContact CD1-CD2 3.47Å; I180-H304 WeakPolarHBondContact CD1-CD2 3.39Å
181	F	98.4	Very high	98.2	Very high	2 Å²	2	25 Å²	25	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.5	162.9	-179.4	-94.3	0	0	0	109.9	W101 N183 Y297 T302 V303 I306 M311 I314 W315 M318	W101-F181 AromaticContact CD1-CD2 3.94Å; F181-N183 HydrophobicContact CE1-CB 4.36Å; F181-Y297 AromaticContact CD1-CD1 3.99Å; F181-Y297 HydrophobicContact CD1-CD1 3.99Å; F181-Y297 HydrophobicContact CD1-CE1 4.29Å; F181-Y297 HydrophobicContact CE1-CD1 4.26Å; F181-T302 WeakPolarHBondContact O-CA 3.29Å; F181-V303 PolarHBondContact N-O 3.35Å; F181-V303 PolarHBondContact O-N 3Å; F181-V303 VanDerWaalsContact O-N 3.09Å; F181-I306 HydrophobicContact CB-CB 4.32Å; F181-I306 HydrophobicContact CB-CG1 3.8Å; F181-I306 HydrophobicContact CB-CG2 4.21Å; F181-M311 HydrophobicContact CD2-CG 4.13Å; F181-I314 HydrophobicContact CD1-CG2 4.01Å; F181-I314 HydrophobicContact CD2-CB 4.27Å; F181-I314 HydrophobicContact CD2-CG2 3.77Å; F181-I314 HydrophobicContact CE1-CG2 3.73Å; F181-I314 HydrophobicContact CE2-CB 4.16Å; F181-I314 HydrophobicContact CE2-CG2 3.48Å; F181-I314 VanDerWaalsContact CE2-CG2 3.48Å; F181-I314 HydrophobicContact CG-CG2 4.03Å; F181-I314 HydrophobicContact CZ-CG2 3.46Å; F181-I314 VanDerWaalsContact CZ-CG2 3.46Å; F181-W315 HydrophobicContact CE2-CB 4.44Å; F181-W315 HydrophobicContact CE2-CE3 4.36Å; F181-W315 HydrophobicContact CZ-CE3 4.47Å; F181-M318 HydrophobicContact CE1-CE 4.36Å; F181-M318 HydrophobicContact CE1-SD 3.65Å; F181-M318 HydrophobicContact CZ-CE 4.49Å; F181-M318 HydrophobicContact CZ-SD 3.63Å
182	V	98.6	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.8	177.2	-170.1	0	0	0	0	110.4	W101 M174 I180 M184 L187 I301 T302	W101-V182 VanDerWaalsContact CB-O 3.3Å; W101-V182 WeakPolarHBondContact CB-O 3.45Å; W101-V182 HydrophobicContact CD2-CB 3.8Å; W101-V182 HydrophobicContact CD2-CG2 3.93Å; W101-V182 HydrophobicContact CE3-CB 3.64Å; W101-V182 HydrophobicContact CE3-CG2 3.73Å; W101-V182 HydrophobicContact CG-CB 4.28Å; W101-V182 HydrophobicContact CH2-CG2 3.8Å; W101-V182 HydrophobicContact CZ2-CG2 3.96Å; W101-V182 HydrophobicContact CZ3-CB 4.09Å; W101-V182 HydrophobicContact CZ3-CG2 3.68Å; M174-V182 HydrophobicContact CE-CB 4.33Å; M174-V182 HydrophobicContact CE-CG1 3.85Å; M174-V182 HydrophobicContact CE-CG2 3.46Å; M174-V182 VanDerWaalsContact CE-CG2 3.46Å; M174-V182 HydrophobicContact SD-CG1 4.1Å; M174-V182 HydrophobicContact SD-CG2 4.34Å; I180-V182 HydrophobicContact CG2-CG2 4.08Å; V182-M184 VanDerWaalsContact C-N 3.35Å; V182-M184 HydrophobicContact CB-SD 4.1Å; V182-M184 HydrophobicContact CG1-CG 4.35Å; V182-M184 HydrophobicContact CG1-SD 3.55Å; V182-M184 VanDerWaalsContact CG1-SD 3.55Å; V182-M184 PolarHBondContact O-N 3.44Å; V182-L187 HydrophobicContact CG1-CD2 4Å; V182-I301 CarbonylContact C-O 3.55Å; V182-I301 WeakPolarHBondContact CA-O 3.33Å; V182-T302 HydrophobicContact CG2-CG2 4.47Å
183	N	97.7	Very high	98.1	Very high	7 Å²	7	26 Å²	26	4%	0.037	12%	0.121	C	C	.	.			trans	-78.1	89.9	166.4	-176.1	-28.3	0	0	0	109.1	F181 D185 N186 L187 Y297 V300 I301 M318	F181-N183 HydrophobicContact CE1-CB 4.36Å; N183-D185 VanDerWaalsContact C-N 3.29Å; N183-D185 PolarHBondContact O-N 3.47Å; N183-D185 PolarHBondContact OD1-N 3.15Å; N183-N186 HydrophobicContact CB-CB 4.31Å; N183-N186 PolarHBondContact ND2-ND2 2.79Å; N183-N186 VanDerWaalsContact ND2-ND2 3.19Å; N183-N186 PolarHBondContact O-N 3.42Å; N183-N186 PolarHBondContact OD1-N 3.09Å; N183-N186 VanDerWaalsContact OD1-N 3.08Å; N183-L187 PolarHBondContact O-N 3.18Å; N183-Y297 PolarHBondContact ND2-O 3.33Å; N183-V300 VanDerWaalsContact CB-O 3.32Å; N183-V300 WeakPolarHBondContact CB-O 3.39Å; N183-I301 PolarHBondContact N-O 3.22Å; N183-M318 WeakPolarHBondContact ND2-CE 3.39Å
184	M	97.8	Very high	98	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-31.1	-176.6	-69.4	-57.7	-68.7	0	0	113.7	L80 I82 W101 F107 I112 V182 L187 I188	L80-M184 HydrophobicContact CD2-CE 3.86Å; I82-M184 HydrophobicContact CD1-CE 3.62Å; I82-M184 HydrophobicContact CD1-SD 4.11Å; W101-M184 HydrophobicContact CB-CG 4.12Å; W101-M184 HydrophobicContact CE3-CG 4.39Å; W101-M184 HydrophobicContact CE3-SD 4.12Å; W101-M184 WeakPolarHBondContact O-CG 3.2Å; F107-M184 HydrophobicContact CE1-CB 4.16Å; F107-M184 HydrophobicContact CE2-CB 3.51Å; F107-M184 HydrophobicContact CE2-CG 4.14Å; F107-M184 HydrophobicContact CZ-CB 3.21Å; F107-M184 HydrophobicContact CZ-CG 4.29Å; I112-M184 HydrophobicContact CD1-CE 3.93Å; V182-M184 VanDerWaalsContact C-N 3.35Å; V182-M184 HydrophobicContact CB-SD 4.1Å; V182-M184 HydrophobicContact CG1-CG 4.35Å; V182-M184 HydrophobicContact CG1-SD 3.55Å; V182-M184 VanDerWaalsContact CG1-SD 3.55Å; V182-M184 PolarHBondContact O-N 3.44Å; M184-L187 HydrophobicContact CE-CD2 4.19Å; M184-L187 PolarHBondContact O-N 2.61Å; M184-L187 HydrophobicContact SD-CD2 3.83Å; M184-I188 HydrophobicContact CE-CD1 3.87Å; M184-I188 HydrophobicContact CE-CG1 4.36Å; M184-I188 VanDerWaalsContact O-CB 3.3Å; M184-I188 WeakPolarHBondContact O-CB 3.13Å; M184-I188 WeakPolarHBondContact O-CG1 3.16Å; M184-I188 PolarHBondContact O-N 3.01Å
185	D	96.1	Very high	97.8	Very high	64 Å²	64	34 Å²	34	34%	0.342	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-45.4	175.1	-75.7	-37.1	0	0	0	111.2	F107 N183 Y189 K322	F107-D185 WeakPolarHBondContact CE1-OD1 3.37Å; N183-D185 VanDerWaalsContact C-N 3.29Å; N183-D185 PolarHBondContact O-N 3.47Å; N183-D185 PolarHBondContact OD1-N 3.15Å; D185-Y189 HydrophobicContact CB-CD2 4.46Å; D185-Y189 WeakPolarHBondContact O-CB 3.31Å; D185-Y189 WeakPolarHBondContact O-CD2 3.47Å; D185-Y189 PolarHBondContact O-N 3.09Å; D185-K322 IonicContact OD2-NZ 2.74Å
186	N	97.3	Very high	97.7	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.059	20%	0.195	C	C	.	.	I	π-helix	trans	-68.8	-40.7	176.7	-75.8	-11.7	0	0	0	111.8	N183 K190 L191 R298 V300 I301	N183-N186 HydrophobicContact CB-CB 4.31Å; N183-N186 PolarHBondContact ND2-ND2 2.79Å; N183-N186 VanDerWaalsContact ND2-ND2 3.19Å; N183-N186 PolarHBondContact O-N 3.42Å; N183-N186 PolarHBondContact OD1-N 3.09Å; N183-N186 VanDerWaalsContact OD1-N 3.08Å; N186-K190 HydrophobicContact CB-CD 4.42Å; N186-K190 WeakPolarHBondContact O-CB 3.32Å; N186-K190 PolarHBondContact O-N 3.26Å; N186-K190 VanDerWaalsContact OD1-CD 3.25Å; N186-K190 WeakPolarHBondContact OD1-CD 3.36Å; N186-K190 WeakPolarHBondContact OD1-CE 3.35Å; N186-K190 PolarHBondContact OD1-NZ 3.45Å; N186-L191 PolarHBondContact O-N 2.69Å; N186-R298 PolarHBondContact ND2-O 3.06Å; N186-V300 PolarHBondContact ND2-O 3.13Å; N186-I301 HydrophobicContact CB-CG1 4.11Å
187	L	98.5	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-58.8	-53.7	176.2	175.2	54.6	0	0	0	111.1	L80 M174 V182 N183 M184 L191 L192 I242 I301	L80-L187 HydrophobicContact CD2-CD2 3.83Å; L80-L187 HydrophobicContact CD2-CG 4.45Å; M174-L187 HydrophobicContact SD-CD2 3.56Å; M174-L187 VanDerWaalsContact SD-CD2 3.56Å; V182-L187 HydrophobicContact CG1-CD2 4Å; N183-L187 PolarHBondContact O-N 3.18Å; M184-L187 HydrophobicContact CE-CD2 4.19Å; M184-L187 PolarHBondContact O-N 2.61Å; M184-L187 HydrophobicContact SD-CD2 3.83Å; L187-L191 HydrophobicContact CD1-CD2 4.01Å; L187-L191 WeakPolarHBondContact O-CB 3.45Å; L187-L192 HydrophobicContact CD1-CD1 4.14Å; L187-L192 HydrophobicContact CD1-CG 4.21Å; L187-L192 HydrophobicContact CG-CD1 4.31Å; L187-L192 WeakPolarHBondContact O-CG 3.44Å; L187-L192 PolarHBondContact O-N 3.39Å; L187-I242 HydrophobicContact CD1-CD1 3.5Å; L187-I242 VanDerWaalsContact CD1-CD1 3.5Å; L187-I242 HydrophobicContact CD1-CG1 3.6Å; L187-I242 HydrophobicContact CD2-CD1 4.05Å; L187-I242 HydrophobicContact CG-CD1 4.38Å; L187-I301 HydrophobicContact CB-CG2 4.11Å; L187-I301 HydrophobicContact CD1-CG2 4.29Å
188	I	98.1	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-74.9	-60	-173	-68.8	171.2	0	0	0	110.2	F107 I110 I112 M184 L192 K193 P194	F107-I188 HydrophobicContact CB-CD1 4.5Å; F107-I188 HydrophobicContact CD1-CD1 3.61Å; F107-I188 HydrophobicContact CD2-CD1 4.1Å; F107-I188 HydrophobicContact CE1-CD1 3.84Å; F107-I188 HydrophobicContact CE2-CD1 4.31Å; F107-I188 HydrophobicContact CG-CD1 3.78Å; F107-I188 HydrophobicContact CZ-CD1 4.23Å; I110-I188 HydrophobicContact CD1-CG2 3.36Å; I110-I188 HydrophobicContact CG2-CG2 4.46Å; I112-I188 HydrophobicContact CD1-CD1 3.61Å; M184-I188 HydrophobicContact CE-CD1 3.87Å; M184-I188 HydrophobicContact CE-CG1 4.36Å; M184-I188 VanDerWaalsContact O-CB 3.3Å; M184-I188 WeakPolarHBondContact O-CB 3.13Å; M184-I188 WeakPolarHBondContact O-CG1 3.16Å; M184-I188 PolarHBondContact O-N 3.01Å; I188-L192 CarbonylContact O-C 3.46Å; I188-L192 PolarHBondContact O-N 2.98Å; I188-K193 PolarHBondContact O-N 3.42Å; I188-P194 HydrophobicContact CG2-CG 3.67Å; I188-P194 WeakPolarHBondContact O-CD 3.47Å
189	Y	97	Very high	97.5	Very high	108 Å²	108	51 Å²	51	42%	0.424	26%	0.255	S	S	.	.	I	π-helix	trans	-84.4	-29.1	-166.2	-59.6	-67.1	0	0	0	113.9	F107 I110 D185	F107-Y189 AromaticContact CD1-CE2 3.97Å; F107-Y189 HydrophobicContact CD1-CE2 3.97Å; F107-Y189 AromaticContact CE1-CE2 3.98Å; F107-Y189 HydrophobicContact CE1-CE2 3.98Å; I110-Y189 HydrophobicContact CD1-CD1 4.44Å; I110-Y189 HydrophobicContact CD1-CE1 3.54Å; D185-Y189 HydrophobicContact CB-CD2 4.46Å; D185-Y189 WeakPolarHBondContact O-CB 3.31Å; D185-Y189 WeakPolarHBondContact O-CD2 3.47Å; D185-Y189 PolarHBondContact O-N 3.09Å
190	K	96.9	Very high	97.5	Very high	131 Å²	131	57.8 Å²	57.8	57%	0.57	28%	0.277	S	S	*	.	I	π-helix	trans	-93.4	-45.5	179	-59.1	-176	-176.3	162.7	0	112.5	N186 K193	N186-K190 HydrophobicContact CB-CD 4.42Å; N186-K190 WeakPolarHBondContact O-CB 3.32Å; N186-K190 PolarHBondContact O-N 3.26Å; N186-K190 VanDerWaalsContact OD1-CD 3.25Å; N186-K190 WeakPolarHBondContact OD1-CD 3.36Å; N186-K190 WeakPolarHBondContact OD1-CE 3.35Å; N186-K190 PolarHBondContact OD1-NZ 3.45Å; K190-K193 WeakPolarHBondContact O-CE 3.39Å
191	L	98.2	Very high	97.5	Very high	19 Å²	19	63.5 Å²	63.5	10%	0.099	30%	0.298	C	S	.	.	I	π-helix	trans	-84	-58.8	-178.5	178.8	61.8	0	0	0	112	N186 L187 R199 T204 I242 N282 F285 I301	N186-L191 PolarHBondContact O-N 2.69Å; L187-L191 HydrophobicContact CD1-CD2 4.01Å; L187-L191 WeakPolarHBondContact O-CB 3.45Å; L191-R199 PolarHBondContact O-NH2 2.99Å; L191-T204 HydrophobicContact CD2-CG2 4Å; L191-I242 HydrophobicContact CD2-CG1 4.44Å; L191-N282 WeakPolarHBondContact CD1-ND2 3.44Å; L191-F285 HydrophobicContact CD2-CE2 3.91Å; L191-F285 HydrophobicContact CD2-CZ 4.09Å; L191-I301 HydrophobicContact CB-CD1 4Å; L191-I301 HydrophobicContact CD2-CD1 3.71Å; L191-I301 HydrophobicContact CG-CD1 4.4Å
192	L	98.2	Very high	97.5	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-81.6	-28.8	-170.1	-66	-178.4	0	0	0	114.5	F79 L80 Y172 L187 I188 I242	F79-L192 HydrophobicContact CE1-CB 3.81Å; F79-L192 HydrophobicContact CE1-CD1 3.83Å; F79-L192 HydrophobicContact CE1-CG 4.49Å; F79-L192 HydrophobicContact CZ-CB 3.78Å; F79-L192 HydrophobicContact CZ-CD1 4.46Å; L80-L192 HydrophobicContact CD1-CD1 4.11Å; L80-L192 HydrophobicContact CD2-CD1 4.39Å; Y172-L192 HydrophobicContact CD1-CD2 3.52Å; Y172-L192 HydrophobicContact CD2-CB 4.18Å; Y172-L192 HydrophobicContact CD2-CD1 3.96Å; Y172-L192 HydrophobicContact CD2-CD2 3.68Å; Y172-L192 HydrophobicContact CD2-CG 4.15Å; Y172-L192 HydrophobicContact CE1-CD2 3.74Å; Y172-L192 HydrophobicContact CE2-CB 4.11Å; Y172-L192 HydrophobicContact CE2-CD2 3.87Å; Y172-L192 HydrophobicContact CE2-CG 4.44Å; Y172-L192 HydrophobicContact CG-CD1 4.03Å; Y172-L192 HydrophobicContact CG-CD2 3.47Å; Y172-L192 VanDerWaalsContact CG-CD2 3.47Å; Y172-L192 HydrophobicContact CG-CG 4.28Å; L187-L192 HydrophobicContact CD1-CD1 4.14Å; L187-L192 HydrophobicContact CD1-CG 4.21Å; L187-L192 HydrophobicContact CG-CD1 4.31Å; L187-L192 WeakPolarHBondContact O-CG 3.44Å; L187-L192 PolarHBondContact O-N 3.39Å; I188-L192 CarbonylContact O-C 3.46Å; I188-L192 PolarHBondContact O-N 2.98Å; L192-I242 HydrophobicContact CD2-CG2 3.66Å
193	K	97.6	Very high	97.5	Very high	108 Å²	108	64.1 Å²	64.1	47%	0.47	30%	0.301	S	S	.	.			trans	49.9	77.9	174.1	-59.8	-179.2	-177.9	-176.9	0	112.8	I188 K190 S195 T196	I188-K193 PolarHBondContact O-N 3.42Å; K190-K193 WeakPolarHBondContact O-CE 3.39Å; K193-S195 PolarHBondContact O-N 3.02Å; K193-T196 HydrophobicContact CB-CG2 3.9Å; K193-T196 WeakPolarHBondContact CB-OG1 3.23Å; K193-T196 HydrophobicContact CD-CG2 4.48Å; K193-T196 WeakPolarHBondContact O-CB 3.41Å; K193-T196 PolarHBondContact O-N 2.89Å; K193-T196 PolarHBondContact O-OG1 2.9Å
194	P	96.5	Very high	97.6	Very high	46 Å²	46	63.8 Å²	63.8	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.3	-172.8	-22.7	31	0	0	0	115.3	F79 I110 I188 T196	F79-P194 HydrophobicContact CD2-CB 4.48Å; F79-P194 HydrophobicContact CE1-CB 4.46Å; F79-P194 HydrophobicContact CE1-CG 3.95Å; F79-P194 HydrophobicContact CE2-CB 3.94Å; F79-P194 HydrophobicContact CE2-CG 4.28Å; F79-P194 HydrophobicContact CZ-CB 3.92Å; F79-P194 HydrophobicContact CZ-CG 3.76Å; I110-P194 HydrophobicContact CD1-CB 4.26Å; I110-P194 HydrophobicContact CD1-CG 3.6Å; I110-P194 HydrophobicContact CG1-CG 4.43Å; I188-P194 HydrophobicContact CG2-CG 3.67Å; I188-P194 WeakPolarHBondContact O-CD 3.47Å; P194-T196 PolarHBondContact O-N 3.3Å
195	S	95.8	Very high	97.6	Very high	121 Å²	121	63.7 Å²	63.7	85%	0.846	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.8	176.2	54.5	0	0	0	0	114	K193	K193-S195 PolarHBondContact O-N 3.02Å
196	T	96.1	Very high	97.7	Very high	70 Å²	70	63.9 Å²	63.9	43%	0.429	30%	0.295	S	S	.	.	S	Bend	trans	-108	157.7	-179.7	68.9	0	0	0	0	111.4	K193 P194 P198	K193-T196 HydrophobicContact CB-CG2 3.9Å; K193-T196 WeakPolarHBondContact CB-OG1 3.23Å; K193-T196 HydrophobicContact CD-CG2 4.48Å; K193-T196 WeakPolarHBondContact O-CB 3.41Å; K193-T196 PolarHBondContact O-N 2.89Å; K193-T196 PolarHBondContact O-OG1 2.9Å; P194-T196 PolarHBondContact O-N 3.3Å; T196-P198 WeakPolarHBondContact O-CD 3.5Å
197	K	96.6	Very high	97.8	Very high	191 Å²	191	64.1 Å²	64.1	83%	0.83	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-57.9	125.8	175.6	-174.8	177.2	-179.4	177.8	0	109.8	R199	K197-R199 PolarHBondContact O-N 3.18Å
198	P	97	Very high	97.8	Very high	49 Å²	49	66.4 Å²	66.4	32%	0.318	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-56.3	135.1	177.9	-27.3	35.3	0	0	0	112.1	K171 Y172 T196	K171-P198 HydrophobicContact CB-CB 4.24Å; K171-P198 HydrophobicContact CB-CG 4.24Å; K171-P198 HydrophobicContact CD-CB 4.36Å; K171-P198 HydrophobicContact CD-CG 3.93Å; K171-P198 HydrophobicContact CG-CG 4.03Å; Y172-P198 HydrophobicContact CE2-CB 4.39Å; T196-P198 WeakPolarHBondContact O-CD 3.5Å
199	R	98	Very high	97.8	Very high	92 Å²	92	72.5 Å²	72.5	35%	0.347	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-69	154.2	173.5	-69.7	177.6	-87.6	-176.5	-3.5	109.9	Y172 L191 K197 Y202 S244	Y172-R199 HydrophobicContact CE1-CB 4.38Å; Y172-R199 PolarHBondContact OH-N 3.3Å; L191-R199 PolarHBondContact O-NH2 2.99Å; K197-R199 PolarHBondContact O-N 3.18Å; R199-Y202 HydrophobicContact CB-CD1 4.42Å; R199-Y202 HydrophobicContact CB-CG 3.99Å; R199-Y202 VanDerWaalsContact CZ-CZ 3.41Å; R199-Y202 PolarHBondContact NH1-OH 3.45Å; R199-S244 WeakPolarHBondContact O-CB 3.31Å
200	R	98.2	Very high	97.8	Very high	191 Å²	191	68.6 Å²	68.6	72%	0.721	33%	0.334	S	S	*	.	S	Bend	trans	-127.4	154.8	176.6	-67.6	-162.6	66.4	170.9	3.2	110	Y202 D246	R200-Y202 PolarHBondContact O-N 2.92Å; R200-Y202 VanDerWaalsContact O-N 3.13Å; R200-D246 IonicContact CZ-OD2 3.16Å; R200-D246 IonicContact NE-OD2 2.64Å; R200-D246 PolarHBondContact NE-OD2 2.84Å; R200-D246 IonicContact NH2-OD2 2.92Å; R200-D246 PolarHBondContact NH2-OD2 2.93Å
201	R	98.4	Very high	97.8	Very high	120 Å²	120	63.9 Å²	63.9	45%	0.453	32%	0.323	S	S	.	.	S	Bend	trans	47.2	38.5	-173.2	-57.6	-174.5	72.6	96.8	-0.2	112	S244 D246 L275 I277	R201-S244 PolarHBondContact N-OG 3.23Å; R201-S244 VanDerWaalsContact N-OG 3.11Å; R201-D246 PolarHBondContact N-OD1 3.38Å; R201-D246 PolarHBondContact N-OD2 3.36Å; R201-L275 PolarHBondContact NH2-O 2.98Å; R201-I277 HydrophobicContact CB-CD1 4.09Å; R201-I277 HydrophobicContact CB-CG1 4.22Å; R201-I277 HydrophobicContact CG-CD1 4.46Å; R201-I277 WeakPolarHBondContact O-CG2 3.37Å
202	Y	98.7	Very high	97.8	Very high	14 Å²	14	63.8 Å²	63.8	6%	0.055	32%	0.323	C	S	.	.			trans	-108.8	136	-172.7	172.3	-103.9	0	0	0	109.9	Y172 R199 R200 T204 F243 S244 F280	Y172-Y202 HydrophobicContact CE1-CD1 4.25Å; R199-Y202 HydrophobicContact CB-CD1 4.42Å; R199-Y202 HydrophobicContact CB-CG 3.99Å; R199-Y202 VanDerWaalsContact CZ-CZ 3.41Å; R199-Y202 PolarHBondContact NH1-OH 3.45Å; R200-Y202 PolarHBondContact O-N 2.92Å; R200-Y202 VanDerWaalsContact O-N 3.13Å; Y202-T204 HydrophobicContact CE1-CG2 3.71Å; Y202-T204 VanDerWaalsContact OH-CB 3.3Å; Y202-T204 WeakPolarHBondContact OH-CB 3.32Å; Y202-T204 WeakPolarHBondContact OH-CG2 3.08Å; Y202-F243 CarbonylContact O-C 3.52Å; Y202-F243 WeakPolarHBondContact O-CA 3.5Å; Y202-F243 WeakPolarHBondContact O-CB 3.35Å; Y202-S244 PolarHBondContact N-OG 3.09Å; Y202-S244 PolarHBondContact O-N 2.84Å; Y202-F280 AromaticContact CD2-CD2 3.79Å; Y202-F280 HydrophobicContact CD2-CD2 3.79Å; Y202-F280 AromaticContact CD2-CE2 3.94Å; Y202-F280 HydrophobicContact CD2-CE2 3.94Å; Y202-F280 AromaticContact CE2-CD2 3.7Å; Y202-F280 HydrophobicContact CE2-CD2 3.7Å; Y202-F280 HydrophobicContact CE2-CE2 4.24Å; Y202-F280 HydrophobicContact CE2-CG 4.33Å
203	F	98.9	Very high	97.8	Very high	1 Å²	1	67 Å²	67	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132.4	178.3	-158.4	-74.7	0	0	0	109.4	C236 Y241 I242 F243 V247 I251 V268 L272 I277 P279 F280	F203-C236 HydrophobicContact CE1-CB 3.92Å; F203-Y241 HydrophobicContact CE1-CD1 4.46Å; F203-Y241 AromaticContact CE1-CD2 3.78Å; F203-Y241 HydrophobicContact CE1-CD2 3.78Å; F203-Y241 HydrophobicContact CE1-CE2 4.45Å; F203-Y241 AromaticContact CE1-CG 3.77Å; F203-Y241 HydrophobicContact CE1-CG 3.77Å; F203-Y241 AromaticContact CE2-CD2 3.95Å; F203-Y241 HydrophobicContact CE2-CD2 3.95Å; F203-Y241 HydrophobicContact CE2-CE2 4.07Å; F203-Y241 HydrophobicContact CZ-CD1 4.27Å; F203-Y241 AromaticContact CZ-CD2 3.2Å; F203-Y241 HydrophobicContact CZ-CD2 3.2Å; F203-Y241 AromaticContact CZ-CE2 3.5Å; F203-Y241 HydrophobicContact CZ-CE2 3.5Å; F203-Y241 AromaticContact CZ-CG 3.63Å; F203-Y241 HydrophobicContact CZ-CG 3.63Å; F203-I242 CarbonylContact C-O 3.04Å; F203-I242 WeakPolarHBondContact CA-O 3.47Å; F203-F243 HydrophobicContact CB-CB 4.33Å; F203-F243 HydrophobicContact CD2-CB 3.43Å; F203-F243 VanDerWaalsContact CD2-CB 3.43Å; F203-F243 HydrophobicContact CD2-CD1 4.2Å; F203-F243 AromaticContact CD2-CG 3.94Å; F203-F243 HydrophobicContact CD2-CG 3.94Å; F203-F243 HydrophobicContact CE2-CB 3.94Å; F203-F243 AromaticContact CE2-CD1 3.79Å; F203-F243 HydrophobicContact CE2-CD1 3.79Å; F203-F243 AromaticContact CE2-CG 3.94Å; F203-F243 HydrophobicContact CE2-CG 3.94Å; F203-F243 HydrophobicContact CG-CB 4.04Å; F203-F243 HydrophobicContact CZ-CD1 4.39Å; F203-V247 HydrophobicContact CD2-CG1 4.08Å; F203-I251 HydrophobicContact CD2-CD1 4.45Å; F203-I251 HydrophobicContact CE2-CD1 3.97Å; F203-V268 HydrophobicContact CE2-CG1 3.84Å; F203-V268 HydrophobicContact CZ-CG1 3.62Å; F203-L272 HydrophobicContact CB-CD1 4.33Å; F203-L272 HydrophobicContact CB-CD2 4.32Å; F203-L272 HydrophobicContact CD1-CD1 3.78Å; F203-L272 HydrophobicContact CD2-CD1 3.82Å; F203-L272 HydrophobicContact CD2-CD2 3.7Å; F203-L272 HydrophobicContact CD2-CG 4.32Å; F203-L272 HydrophobicContact CE1-CD1 3.96Å; F203-L272 HydrophobicContact CE2-CD1 4Å; F203-L272 HydrophobicContact CE2-CD2 4.25Å; F203-L272 HydrophobicContact CG-CD1 3.71Å; F203-L272 HydrophobicContact CG-CD2 4.1Å; F203-L272 HydrophobicContact CZ-CD1 4.06Å; F203-I277 HydrophobicContact CB-CG2 4.21Å; F203-P279 HydrophobicContact CD1-CB 4.04Å; F203-P279 WeakPolarHBondContact O-CA 3.42Å; F203-F280 WeakPolarHBondContact O-CD2 3.17Å; F203-F280 PolarHBondContact O-N 3.4Å
204	T	98.8	Very high	97.8	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.5	-178.2	-167.9	0	0	0	0	112.2	L191 Y202 Y241 I242 F280 N282 F285	L191-T204 HydrophobicContact CD2-CG2 4Å; Y202-T204 HydrophobicContact CE1-CG2 3.71Å; Y202-T204 VanDerWaalsContact OH-CB 3.3Å; Y202-T204 WeakPolarHBondContact OH-CB 3.32Å; Y202-T204 WeakPolarHBondContact OH-CG2 3.08Å; T204-Y241 WeakPolarHBondContact O-CA 3.28Å; T204-Y241 WeakPolarHBondContact O-CB 2.97Å; T204-I242 HydrophobicContact CG2-CB 3.92Å; T204-I242 HydrophobicContact CG2-CG2 4.45Å; T204-I242 PolarHBondContact N-O 2.83Å; T204-I242 PolarHBondContact O-N 3.35Å; T204-F280 WeakPolarHBondContact CA-O 3.29Å; T204-F280 WeakPolarHBondContact CB-O 3.32Å; T204-F280 PolarHBondContact OG1-O 3.03Å; T204-N282 WeakPolarHBondContact OG1-CB 3.33Å; T204-F285 HydrophobicContact CG2-CE2 4.39Å
205	G	98.7	Very high	97.9	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171	-160.3	177.3	0	0	0	0	0	109.5	V207 C236 F280 N282	G205-V207 PolarHBondContact O-N 3.47Å; G205-C236 PolarHBondContact N-SG 3.32Å; G205-C236 VanDerWaalsContact N-SG 3.43Å; G205-F280 PolarHBondContact N-O 3.39Å; G205-N282 PolarHBondContact O-N 2.65Å
206	Y	98.6	Very high	97.9	Very high	68 Å²	68	65 Å²	65	27%	0.267	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.9	167	-170	-83.8	0	0	0	109.2	I208 C236 S237 F285 H287 W288	Y206-I208 HydrophobicContact CD1-CG1 3.96Å; Y206-I208 HydrophobicContact CE1-CG1 4.09Å; Y206-C236 CarbonylContact O-C 3.2Å; Y206-C236 VanDerWaalsContact O-CA 3.25Å; Y206-C236 WeakPolarHBondContact O-CA 3.44Å; Y206-S237 PolarHBondContact O-N 2.89Å; Y206-F285 WeakPolarHBondContact CD2-O 3.43Å; Y206-H287 AromaticContact CD1-CE1 3.44Å; Y206-H287 VanDerWaalsContact CD1-CE1 3.44Å; Y206-H287 WeakPolarHBondContact CD1-CE1 3.31Å; Y206-H287 AromaticContact CD1-ND1 3.19Å; Y206-H287 WeakPolarHBondContact CD1-ND1 3.11Å; Y206-H287 AromaticContact CD2-ND1 3.74Å; Y206-H287 AromaticContact CE1-CE1 3.13Å; Y206-H287 WeakPolarHBondContact CE1-CE1 3.35Å; Y206-H287 AromaticContact CE1-ND1 3.42Å; Y206-H287 WeakPolarHBondContact CE1-ND1 3.3Å; Y206-H287 AromaticContact CE2-CE1 3.92Å; Y206-H287 AromaticContact CE2-ND1 3.92Å; Y206-H287 AromaticContact CG-CE1 3.97Å; Y206-H287 AromaticContact CG-ND1 3.36Å; Y206-H287 AromaticContact CZ-CE1 3.39Å; Y206-H287 AromaticContact CZ-ND1 3.77Å; Y206-W288 HydrophobicContact CD2-CZ3 4.12Å; Y206-W288 HydrophobicContact CE2-CH2 4.12Å; Y206-W288 AromaticContact CE2-CZ3 3.76Å; Y206-W288 HydrophobicContact CE2-CZ3 3.76Å
207	V	98.8	Very high	98	Very high	17 Å²	17	71.6 Å²	71.6	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.9	-179.4	-179.1	0	0	0	0	110.4	G205 P234 F235 P279 Q281	G205-V207 PolarHBondContact O-N 3.47Å; V207-P234 HydrophobicContact CG1-CB 3.87Å; V207-F235 CarbonylContact C-O 3.55Å; V207-F235 WeakPolarHBondContact CA-O 3.49Å; V207-P279 HydrophobicContact CG1-CG 4.39Å; V207-P279 HydrophobicContact CG2-CB 3.97Å; V207-P279 HydrophobicContact CG2-CG 4.22Å; V207-Q281 HydrophobicContact CB-CB 4.41Å; V207-Q281 VanDerWaalsContact CB-OE1 3.26Å; V207-Q281 HydrophobicContact CG2-CB 4.29Å; V207-Q281 PolarHBondContact O-OE1 2.97Å
208	I	98.5	Very high	98.1	Very high	47 Å²	47	64 Å²	64	24%	0.241	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.3	174.5	-64.4	164.6	0	0	0	108.2	Y206 F235	Y206-I208 HydrophobicContact CD1-CG1 3.96Å; Y206-I208 HydrophobicContact CE1-CG1 4.09Å; I208-F235 HydrophobicContact CB-CD2 4.32Å; I208-F235 HydrophobicContact CB-CE1 4.21Å; I208-F235 HydrophobicContact CB-CE2 3.85Å; I208-F235 HydrophobicContact CB-CZ 3.79Å; I208-F235 HydrophobicContact CD1-CE2 3.84Å; I208-F235 HydrophobicContact CD1-CZ 4.34Å; I208-F235 HydrophobicContact CG1-CE2 4.42Å; I208-F235 HydrophobicContact CG2-CE1 3.99Å; I208-F235 HydrophobicContact CG2-CE2 4.11Å; I208-F235 HydrophobicContact CG2-CZ 3.56Å; I208-F235 PolarHBondContact N-O 3.32Å; I208-F235 PolarHBondContact O-N 2.83Å
209	N	98.1	Very high	98	Very high	129 Å²	129	67.7 Å²	67.7	69%	0.69	32%	0.32	S	S	*	.			trans	-108.6	108.8	166.5	-63.7	-75.1	0	0	0	106.9
210	G	96.6	Very high	98	Very high	26 Å²	26	69.2 Å²	69.2	27%	0.268	33%	0.326	S	S	.	.			trans	-161.6	-176.8	-173.8	0	0	0	0	0	112.5	Y232	G210-Y232 PolarHBondContact O-N 3.02Å
211	G	97.7	Very high	98	Very high	32 Å²	32	63.6 Å²	63.6	33%	0.33	31%	0.305	S	S	.	.			trans	-133.2	172.9	-177.6	0	0	0	0	0	113	I213	G211-I213 PolarHBondContact O-N 2.83Å
212	P	98.2	Very high	98	Very high	17 Å²	17	57.9 Å²	57.9	11%	0.11	28%	0.283	C	S	.	.			trans	-61.2	128.2	178.9	23.2	-33.9	0	0	0	112.7	R214 M222 Y227 D229 S230 Y232	P212-R214 VanDerWaalsContact CB-CZ 3.5Å; P212-M222 HydrophobicContact CB-CB 3.64Å; P212-M222 HydrophobicContact CB-CG 3.98Å; P212-Y227 HydrophobicContact CG-CD1 4.17Å; P212-D229 WeakPolarHBondContact CG-O 3.42Å; P212-S230 WeakPolarHBondContact CD-O 3.16Å; P212-Y232 VanDerWaalsContact CA-CZ 3.44Å; P212-Y232 VanDerWaalsContact CA-OH 3.28Å; P212-Y232 WeakPolarHBondContact CA-OH 3.38Å; P212-Y232 HydrophobicContact CB-CE1 4.05Å; P212-Y232 HydrophobicContact CB-CE2 4.25Å; P212-Y232 WeakPolarHBondContact CB-OH 3.44Å; P212-Y232 HydrophobicContact CG-CE1 4.38Å
213	I	98.1	Very high	97.9	Very high	67 Å²	67	58.5 Å²	58.5	34%	0.344	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-75.1	125.7	166.9	-67.4	165.4	0	0	0	108	G211 D215 W220 Y221 M222	G211-I213 PolarHBondContact O-N 2.83Å; I213-D215 HydrophobicContact CG2-CB 4.3Å; I213-W220 HydrophobicContact CD1-CB 3.83Å; I213-W220 HydrophobicContact CD1-CD2 4.39Å; I213-W220 HydrophobicContact CD1-CE3 3.65Å; I213-Y221 CarbonylContact O-C 3.56Å; I213-Y221 WeakPolarHBondContact O-CA 3.33Å; I213-M222 PolarHBondContact O-N 3.26Å
214	R	97.8	Very high	97.9	Very high	62 Å²	62	66 Å²	66	23%	0.234	32%	0.318	C	S	.	.			trans	-101.9	0	-176.7	-53.1	-57.3	-170.5	169.9	5.4	113.9	P212 V216 Y221 M222 P223 Y227 D229	P212-R214 VanDerWaalsContact CB-CZ 3.5Å; R214-V216 PolarHBondContact O-N 2.73Å; R214-Y221 WeakPolarHBondContact O-CE2 3.46Å; R214-M222 WeakPolarHBondContact CD-O 3.41Å; R214-M222 PolarHBondContact NH1-O 3.12Å; R214-P223 PolarHBondContact NH1-O 3.13Å; R214-Y227 VanDerWaalsContact CZ-O 3.29Å; R214-Y227 PolarHBondContact NH1-O 2.74Å; R214-Y227 PolarHBondContact NH2-O 2.95Å; R214-D229 PolarHBondContact NH2-O 3.12Å
215	D	97.9	Very high	97.8	Very high	69 Å²	69	71.7 Å²	71.7	37%	0.369	35%	0.348	S	S	.	.			trans	-75.3	115	171.5	-175	-14.1	0	0	0	109.5	I213 R217 S218 Y221	I213-D215 HydrophobicContact CG2-CB 4.3Å; D215-R217 PolarHBondContact O-N 2.86Å; D215-R217 VanDerWaalsContact O-N 3.13Å; D215-R217 WeakPolarHBondContact OD1-CB 3.31Å; D215-R217 PolarHBondContact OD1-N 2.9Å; D215-R217 IonicContact OD1-NE 3.52Å; D215-R217 PolarHBondContact OD1-NE 3.22Å; D215-R217 IonicContact OD1-NH2 2.8Å; D215-R217 IonicContact OD2-CZ 2.93Å; D215-R217 IonicContact OD2-NE 2.74Å; D215-R217 PolarHBondContact OD2-NE 2.94Å; D215-R217 IonicContact OD2-NH2 3Å; D215-R217 PolarHBondContact OD2-NH2 3.31Å; D215-S218 VanDerWaalsContact O-CB 3.29Å; D215-S218 WeakPolarHBondContact O-CB 3.39Å; D215-S218 PolarHBondContact O-N 3.18Å; D215-Y221 WeakPolarHBondContact O-CB 3.44Å
216	V	97.3	Very high	97.6	Very high	103 Å²	103	73.6 Å²	73.6	62%	0.624	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.8	-180	-62.6	0	0	0	0	114.2	R214 S218 Y221	R214-V216 PolarHBondContact O-N 2.73Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-Y221 HydrophobicContact CG1-CD1 4.39Å; V216-Y221 HydrophobicContact CG1-CD2 4.22Å; V216-Y221 HydrophobicContact CG1-CE1 3.95Å; V216-Y221 HydrophobicContact CG1-CE2 3.79Å
217	R	97.5	Very high	97.6	Very high	207 Å²	207	71 Å²	71	78%	0.781	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.8	177.6	-59.5	174.8	-62.9	175.7	6.1	112.6	D215	D215-R217 PolarHBondContact O-N 2.86Å; D215-R217 VanDerWaalsContact O-N 3.13Å; D215-R217 WeakPolarHBondContact OD1-CB 3.31Å; D215-R217 PolarHBondContact OD1-N 2.9Å; D215-R217 IonicContact OD1-NE 3.52Å; D215-R217 PolarHBondContact OD1-NE 3.22Å; D215-R217 IonicContact OD1-NH2 2.8Å; D215-R217 IonicContact OD2-CZ 2.93Å; D215-R217 IonicContact OD2-NE 2.74Å; D215-R217 PolarHBondContact OD2-NE 2.94Å; D215-R217 IonicContact OD2-NH2 3Å; D215-R217 PolarHBondContact OD2-NH2 3.31Å
218	S	97.8	Very high	97.5	Very high	31 Å²	31	74.4 Å²	74.4	22%	0.217	37%	0.37	C	S	.	.	S	Bend	trans	-74.8	134.3	177.1	-177.8	0	0	0	0	110.1	D215 V216 W220 Y221	D215-S218 VanDerWaalsContact O-CB 3.29Å; D215-S218 WeakPolarHBondContact O-CB 3.39Å; D215-S218 PolarHBondContact O-N 3.18Å; V216-S218 VanDerWaalsContact C-N 3.33Å; S218-W220 PolarHBondContact O-N 3.4Å; S218-W220 PolarHBondContact OG-N 3.08Å; S218-Y221 WeakPolarHBondContact O-CB 3.43Å; S218-Y221 PolarHBondContact O-N 3.32Å
219	K	96.3	Very high	97.4	Very high	128 Å²	128	76.2 Å²	76.2	56%	0.557	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.3	166.8	66.6	174.6	-178.5	176.5	0	113.1	Y149	Y149-K219 HydrophobicContact CE1-CB 4.37Å
220	W	97.5	Very high	97.4	Very high	124 Å²	124	74.3 Å²	74.3	47%	0.47	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	14.2	176.4	-53.9	-41	0	0	0	113.1	Y149 I213 S218 M222 L263	Y149-W220 PolarHBondContact OH-NE1 3.42Å; I213-W220 HydrophobicContact CD1-CB 3.83Å; I213-W220 HydrophobicContact CD1-CD2 4.39Å; I213-W220 HydrophobicContact CD1-CE3 3.65Å; S218-W220 PolarHBondContact O-N 3.4Å; S218-W220 PolarHBondContact OG-N 3.08Å; W220-M222 PolarHBondContact O-N 2.88Å; W220-L263 HydrophobicContact CB-CD2 4.44Å
221	Y	98	Very high	97.5	Very high	72 Å²	72	78.5 Å²	78.5	28%	0.282	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-57.2	127.5	178.5	171.7	-121.8	0	0	0	111.5	I213 R214 D215 V216 S218 P223 H262	I213-Y221 CarbonylContact O-C 3.56Å; I213-Y221 WeakPolarHBondContact O-CA 3.33Å; R214-Y221 WeakPolarHBondContact O-CE2 3.46Å; D215-Y221 WeakPolarHBondContact O-CB 3.44Å; V216-Y221 HydrophobicContact CG1-CD1 4.39Å; V216-Y221 HydrophobicContact CG1-CD2 4.22Å; V216-Y221 HydrophobicContact CG1-CE1 3.95Å; V216-Y221 HydrophobicContact CG1-CE2 3.79Å; S218-Y221 WeakPolarHBondContact O-CB 3.43Å; S218-Y221 PolarHBondContact O-N 3.32Å; Y221-P223 HydrophobicContact CD1-CG 4.26Å; Y221-P223 HydrophobicContact CE1-CB 4.29Å; Y221-P223 HydrophobicContact CE1-CG 3.56Å; Y221-H262 PolarHBondContact O-CE1 3.13Å
222	M	98.2	Very high	97.5	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.381	C	S	.	.			trans	-120.8	115.7	173	-174.3	61.2	60.1	0	0	110.3	P212 I213 R214 W220 L226 Y232 L261 L263	P212-M222 HydrophobicContact CB-CB 3.64Å; P212-M222 HydrophobicContact CB-CG 3.98Å; I213-M222 PolarHBondContact O-N 3.26Å; R214-M222 WeakPolarHBondContact CD-O 3.41Å; R214-M222 PolarHBondContact NH1-O 3.12Å; W220-M222 PolarHBondContact O-N 2.88Å; M222-L226 HydrophobicContact SD-CB 4.34Å; M222-L226 HydrophobicContact SD-CD2 3.7Å; M222-L226 HydrophobicContact SD-CG 4.02Å; M222-Y232 WeakPolarHBondContact CB-OH 3.47Å; M222-Y232 HydrophobicContact CG-CE1 4.44Å; M222-Y232 VanDerWaalsContact CG-OH 3.27Å; M222-Y232 WeakPolarHBondContact CG-OH 3.47Å; M222-L261 HydrophobicContact CE-CB 4.11Å; M222-L261 HydrophobicContact CE-CD1 4.04Å; M222-L261 HydrophobicContact CE-CD2 4.22Å; M222-L261 HydrophobicContact CE-CG 4.37Å; M222-L261 HydrophobicContact SD-CD1 4.48Å; M222-L261 HydrophobicContact SD-CD2 3.92Å; M222-L263 HydrophobicContact CE-CB 4.4Å; M222-L263 HydrophobicContact CE-CD1 3.82Å; M222-L263 HydrophobicContact CE-CG 3.95Å
223	P	97.4	Very high	97.5	Very high	27 Å²	27	77.5 Å²	77.5	18%	0.175	38%	0.379	C	S	.	.			trans	-62.4	148.7	175.8	-20.7	29.7	0	0	0	113.9	R214 Y221 D225 L226 Y227	R214-P223 PolarHBondContact NH1-O 3.13Å; Y221-P223 HydrophobicContact CD1-CG 4.26Å; Y221-P223 HydrophobicContact CE1-CB 4.29Å; Y221-P223 HydrophobicContact CE1-CG 3.56Å; P223-D225 WeakPolarHBondContact CB-OD1 3.38Å; P223-L226 HydrophobicContact CB-CB 4.08Å; P223-L226 HydrophobicContact CG-CB 4.34Å; P223-L226 PolarHBondContact O-N 3.32Å; P223-Y227 PolarHBondContact O-N 3.05Å
224	R	97.7	Very high	97.5	Very high	160 Å²	160	77 Å²	77	60%	0.604	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-35.3	179.4	-74.9	-173.6	-175.6	-84.4	3.2	113.2	L226 Y227 P228	R224-L226 VanDerWaalsContact C-N 3.27Å; R224-L226 PolarHBondContact O-N 3.29Å; R224-Y227 CarbonylContact O-C 3.51Å; R224-P228 WeakPolarHBondContact O-CA 3.31Å; R224-P228 VanDerWaalsContact O-N 3.12Å
225	D	96.4	Very high	97.6	Very high	120 Å²	120	74.7 Å²	74.7	64%	0.642	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.6	174.8	63.1	-49.7	0	0	0	112.3	P223 R259	P223-D225 WeakPolarHBondContact CB-OD1 3.38Å; D225-R259 PolarHBondContact O-NH1 3.45Å; D225-R259 PolarHBondContact O-NH2 3.39Å
226	L	95.7	Very high	97.6	Very high	40 Å²	40	71.6 Å²	71.6	21%	0.209	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-45	174.5	-173.1	56.7	0	0	0	112	M222 P223 R224 R259 L261	M222-L226 HydrophobicContact SD-CB 4.34Å; M222-L226 HydrophobicContact SD-CD2 3.7Å; M222-L226 HydrophobicContact SD-CG 4.02Å; P223-L226 HydrophobicContact CB-CB 4.08Å; P223-L226 HydrophobicContact CG-CB 4.34Å; P223-L226 PolarHBondContact O-N 3.32Å; R224-L226 VanDerWaalsContact C-N 3.27Å; R224-L226 PolarHBondContact O-N 3.29Å; L226-R259 HydrophobicContact CD1-CG 4.22Å; L226-R259 PolarHBondContact O-NH1 3.4Å; L226-L261 HydrophobicContact CD1-CD2 3.97Å; L226-L261 HydrophobicContact CD2-CD2 3.83Å; L226-L261 HydrophobicContact CG-CD2 3.55Å
227	Y	97.3	Very high	97.7	Very high	14 Å²	14	67 Å²	67	6%	0.055	33%	0.328	C	S	.	.			trans	-136.8	100.7	177.1	-164.8	-94.4	0	0	0	110.5	P212 R214 P223 R224 D229 N231 Y232 L261 L270	P212-Y227 HydrophobicContact CG-CD1 4.17Å; R214-Y227 VanDerWaalsContact CZ-O 3.29Å; R214-Y227 PolarHBondContact NH1-O 2.74Å; R214-Y227 PolarHBondContact NH2-O 2.95Å; P223-Y227 PolarHBondContact O-N 3.05Å; R224-Y227 CarbonylContact O-C 3.51Å; Y227-D229 HydrophobicContact CD1-CB 4.27Å; Y227-D229 HydrophobicContact CE1-CB 3.62Å; Y227-N231 PolarHBondContact OH-O 3.3Å; Y227-Y232 AromaticContact CD1-CD1 3.87Å; Y227-Y232 HydrophobicContact CD1-CD1 3.87Å; Y227-Y232 AromaticContact CD1-CE1 3.55Å; Y227-Y232 HydrophobicContact CD1-CE1 3.55Å; Y227-Y232 HydrophobicContact CD2-CE1 4.31Å; Y227-Y232 AromaticContact CE1-CD1 3.38Å; Y227-Y232 HydrophobicContact CE1-CD1 3.38Å; Y227-Y232 AromaticContact CE1-CE1 3.61Å; Y227-Y232 HydrophobicContact CE1-CE1 3.61Å; Y227-Y232 HydrophobicContact CE1-CG 4.5Å; Y227-Y232 HydrophobicContact CE2-CD1 4.15Å; Y227-Y232 HydrophobicContact CE2-CE1 4.41Å; Y227-Y232 HydrophobicContact CG-CD1 4.39Å; Y227-Y232 AromaticContact CG-CE1 3.91Å; Y227-Y232 HydrophobicContact CG-CE1 3.91Å; Y227-Y232 AromaticContact CZ-CD1 3.57Å; Y227-L261 HydrophobicContact CD2-CD1 4.16Å; Y227-L270 HydrophobicContact CE2-CD1 4.27Å; Y227-L270 HydrophobicContact CE2-CD2 3.88Å
228	P	97.3	Very high	97.7	Very high	87 Å²	87	57.7 Å²	57.7	57%	0.565	30%	0.296	S	S	*	.			trans	-77.1	-29	-173.2	27.8	-34	0	0	0	113.7	R224	R224-P228 WeakPolarHBondContact O-CA 3.31Å; R224-P228 VanDerWaalsContact O-N 3.12Å
229	D	97.5	Very high	97.7	Very high	86 Å²	86	56.8 Å²	56.8	46%	0.46	29%	0.289	S	S	.	.	S	Bend	trans	-65.7	155	-175.5	-57.5	-23	0	0	0	112.2	P212 R214 Y227	P212-D229 WeakPolarHBondContact CG-O 3.42Å; R214-D229 PolarHBondContact NH2-O 3.12Å; Y227-D229 HydrophobicContact CD1-CB 4.27Å; Y227-D229 HydrophobicContact CE1-CB 3.62Å
230	S	97.6	Very high	97.8	Very high	89 Å²	89	50.7 Å²	50.7	62%	0.622	26%	0.263	S	S	*	.	S	Bend	trans	-83	-17.7	-179.7	-59.3	0	0	0	0	114.1	P212	P212-S230 WeakPolarHBondContact CD-O 3.16Å
231	N	98.3	Very high	97.9	Very high	113 Å²	113	44.8 Å²	44.8	60%	0.604	24%	0.24	S	C	*	.	S	Bend	trans	-134.6	139.5	-177.6	-67.7	-53.8	0	0	0	110.1	Y227	Y227-N231 PolarHBondContact OH-O 3.3Å
232	Y	98.4	Very high	97.9	Very high	18 Å²	18	41.4 Å²	41.4	7%	0.071	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-77.3	156.6	167.1	-60.1	-50.5	0	0	0	110.2	G210 P212 M222 Y227 F235 V266	G210-Y232 PolarHBondContact O-N 3.02Å; P212-Y232 VanDerWaalsContact CA-CZ 3.44Å; P212-Y232 VanDerWaalsContact CA-OH 3.28Å; P212-Y232 WeakPolarHBondContact CA-OH 3.38Å; P212-Y232 HydrophobicContact CB-CE1 4.05Å; P212-Y232 HydrophobicContact CB-CE2 4.25Å; P212-Y232 WeakPolarHBondContact CB-OH 3.44Å; P212-Y232 HydrophobicContact CG-CE1 4.38Å; M222-Y232 WeakPolarHBondContact CB-OH 3.47Å; M222-Y232 HydrophobicContact CG-CE1 4.44Å; M222-Y232 VanDerWaalsContact CG-OH 3.27Å; M222-Y232 WeakPolarHBondContact CG-OH 3.47Å; Y227-Y232 AromaticContact CD1-CD1 3.87Å; Y227-Y232 HydrophobicContact CD1-CD1 3.87Å; Y227-Y232 AromaticContact CD1-CE1 3.55Å; Y227-Y232 HydrophobicContact CD1-CE1 3.55Å; Y227-Y232 HydrophobicContact CD2-CE1 4.31Å; Y227-Y232 AromaticContact CE1-CD1 3.38Å; Y227-Y232 HydrophobicContact CE1-CD1 3.38Å; Y227-Y232 AromaticContact CE1-CE1 3.61Å; Y227-Y232 HydrophobicContact CE1-CE1 3.61Å; Y227-Y232 HydrophobicContact CE1-CG 4.5Å; Y227-Y232 HydrophobicContact CE2-CD1 4.15Å; Y227-Y232 HydrophobicContact CE2-CE1 4.41Å; Y227-Y232 HydrophobicContact CG-CD1 4.39Å; Y227-Y232 AromaticContact CG-CE1 3.91Å; Y227-Y232 HydrophobicContact CG-CE1 3.91Å; Y227-Y232 AromaticContact CZ-CD1 3.57Å; Y232-F235 AromaticContact CD2-CE1 3.93Å; Y232-F235 HydrophobicContact CD2-CE1 3.93Å; Y232-F235 HydrophobicContact CG-CE1 4.45Å; Y232-V266 HydrophobicContact CD1-CG1 3.44Å; Y232-V266 VanDerWaalsContact CD1-CG1 3.44Å; Y232-V266 HydrophobicContact CD2-CG1 3.98Å; Y232-V266 HydrophobicContact CD2-CG2 3.89Å; Y232-V266 HydrophobicContact CE1-CG1 3.59Å; Y232-V266 HydrophobicContact CE2-CG1 4.08Å; Y232-V266 HydrophobicContact CE2-CG2 3.82Å; Y232-V266 HydrophobicContact CG-CG1 3.63Å; Y232-V266 HydrophobicContact CG-CG2 4.37Å
233	P	98.2	Very high	97.9	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-61.2	158.6	160.7	28.2	-33.8	0	0	0	110.7	F235 L270 R273	P233-F235 WeakPolarHBondContact O-CD1 3.5Å; P233-F235 PolarHBondContact O-N 3.21Å; P233-L270 HydrophobicContact CG-CD2 3.75Å; P233-L270 HydrophobicContact CG-CG 4.28Å; P233-R273 HydrophobicContact CB-CB 3.93Å; P233-R273 HydrophobicContact CB-CG 4.1Å; P233-R273 HydrophobicContact CG-CB 4.16Å
234	P	98.5	Very high	98	Very high	56 Å²	56	40.1 Å²	40.1	36%	0.364	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-53.8	131.4	173.8	-23.4	32.8	0	0	0	111.5	V207 P279	V207-P234 HydrophobicContact CG1-CB 3.87Å; P234-P279 HydrophobicContact CB-CG 4.18Å
235	F	98.7	Very high	98	Very high	14 Å²	14	32.9 Å²	32.9	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.9	179.9	62.6	-87.5	0	0	0	110.4	V207 I208 Y232 P233 D265 V266	V207-F235 CarbonylContact C-O 3.55Å; V207-F235 WeakPolarHBondContact CA-O 3.49Å; I208-F235 HydrophobicContact CB-CD2 4.32Å; I208-F235 HydrophobicContact CB-CE1 4.21Å; I208-F235 HydrophobicContact CB-CE2 3.85Å; I208-F235 HydrophobicContact CB-CZ 3.79Å; I208-F235 HydrophobicContact CD1-CE2 3.84Å; I208-F235 HydrophobicContact CD1-CZ 4.34Å; I208-F235 HydrophobicContact CG1-CE2 4.42Å; I208-F235 HydrophobicContact CG2-CE1 3.99Å; I208-F235 HydrophobicContact CG2-CE2 4.11Å; I208-F235 HydrophobicContact CG2-CZ 3.56Å; I208-F235 PolarHBondContact N-O 3.32Å; I208-F235 PolarHBondContact O-N 2.83Å; Y232-F235 AromaticContact CD2-CE1 3.93Å; Y232-F235 HydrophobicContact CD2-CE1 3.93Å; Y232-F235 HydrophobicContact CG-CE1 4.45Å; P233-F235 WeakPolarHBondContact O-CD1 3.5Å; P233-F235 PolarHBondContact O-N 3.21Å; F235-D265 WeakPolarHBondContact CB-O 3.43Å; F235-D265 HydrophobicContact CD2-CB 3.9Å; F235-D265 HydrophobicContact CE2-CB 4.37Å; F235-V266 HydrophobicContact CD1-CG2 4.28Å; F235-V266 HydrophobicContact CD2-CG2 4.34Å; F235-V266 HydrophobicContact CE1-CG2 4.02Å; F235-V266 HydrophobicContact CE2-CG2 4.06Å; F235-V266 HydrophobicContact CG-CG2 4.44Å; F235-V266 HydrophobicContact CZ-CG2 3.89Å
236	C	98.7	Very high	98.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.4	172.4	-68.3	0	0	0	0	110.2	F203 G205 Y206 G238 Y241 D265	F203-C236 HydrophobicContact CE1-CB 3.92Å; G205-C236 PolarHBondContact N-SG 3.32Å; G205-C236 VanDerWaalsContact N-SG 3.43Å; Y206-C236 CarbonylContact O-C 3.2Å; Y206-C236 VanDerWaalsContact O-CA 3.25Å; Y206-C236 WeakPolarHBondContact O-CA 3.44Å; C236-G238 PolarHBondContact O-N 3.33Å; C236-Y241 HydrophobicContact CB-CD1 4.21Å; C236-Y241 HydrophobicContact CB-CG 4.32Å; C236-D265 VanDerWaalsContact O-CB 3.27Å; C236-D265 WeakPolarHBondContact O-CB 3.39Å
237	S	98.4	Very high	98.3	Very high	8 Å²	8	26.8 Å²	26.8	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	133.2	172.2	175.8	0	0	0	0	112.2	Y206 T239 G240 H287	Y206-S237 PolarHBondContact O-N 2.89Å; S237-T239 PolarHBondContact O-N 3.06Å; S237-T239 PolarHBondContact OG-N 2.96Å; S237-T239 PolarHBondContact OG-OG1 3.11Å; S237-G240 PolarHBondContact O-N 3.09Å; S237-H287 WeakPolarHBondContact OG-CB 3.44Å
238	G	97.7	Very high	98.3	Very high	11 Å²	11	26.1 Å²	26.1	11%	0.113	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	-21.8	177.4	0	0	0	0	0	114.6	K175 C236 G240 D265	K175-G238 PolarHBondContact NZ-O 2.91Å; C236-G238 PolarHBondContact O-N 3.33Å; G238-G240 PolarHBondContact O-N 3.47Å; G238-G240 VanDerWaalsContact O-N 3.13Å; G238-D265 PolarHBondContact N-OD2 2.86Å
239	T	98	Very high	98.4	Very high	11 Å²	11	25.9 Å²	25.9	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-25.4	177.4	57.6	0	0	0	0	113.6	T176 I180 S237 H287 H304	T176-T239 PolarHBondContact OG1-O 3.27Å; I180-T239 HydrophobicContact CD1-CG2 4.45Å; I180-T239 WeakPolarHBondContact CD1-O 3.45Å; I180-T239 WeakPolarHBondContact CG1-O 3.41Å; S237-T239 PolarHBondContact O-N 3.06Å; S237-T239 PolarHBondContact OG-N 2.96Å; S237-T239 PolarHBondContact OG-OG1 3.11Å; T239-H287 HydrophobicContact CG2-CB 3.9Å; T239-H287 VanDerWaalsContact OG1-CB 3.31Å; T239-H287 WeakPolarHBondContact OG1-CB 3.46Å; T239-H304 HydrophobicContact CG2-CB 4.26Å
240	G	98.6	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	141.6	171.7	0	0	0	0	0	114.8	K175 S237 G238 F285	K175-G240 WeakPolarHBondContact O-CA 3.37Å; S237-G240 PolarHBondContact O-N 3.09Å; G238-G240 PolarHBondContact O-N 3.47Å; G238-G240 VanDerWaalsContact O-N 3.13Å; G240-F285 VanDerWaalsContact O-CD1 3.31Å; G240-F285 WeakPolarHBondContact O-CD1 3.43Å
241	Y	98.9	Very high	98.5	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.9	179.8	51.5	-105.8	0	0	0	111.7	T156 M160 M174 K175 F203 T204 C236 F243 E264	T156-Y241 WeakPolarHBondContact CG2-OH 3.44Å; M160-Y241 HydrophobicContact CE-CE2 4.17Å; M174-Y241 WeakPolarHBondContact CA-O 3.42Å; K175-Y241 HydrophobicContact CB-CD2 3.96Å; K175-Y241 HydrophobicContact CB-CE1 4.24Å; K175-Y241 HydrophobicContact CB-CE2 3.39Å; K175-Y241 HydrophobicContact CD-CE1 3.83Å; K175-Y241 HydrophobicContact CG-CE1 4.33Å; K175-Y241 HydrophobicContact CG-CE2 4.15Å; K175-Y241 PolarHBondContact N-O 3.39Å; K175-Y241 PolarHBondContact O-N 3.09Å; F203-Y241 HydrophobicContact CE1-CD1 4.46Å; F203-Y241 AromaticContact CE1-CD2 3.78Å; F203-Y241 HydrophobicContact CE1-CD2 3.78Å; F203-Y241 HydrophobicContact CE1-CE2 4.45Å; F203-Y241 AromaticContact CE1-CG 3.77Å; F203-Y241 HydrophobicContact CE1-CG 3.77Å; F203-Y241 AromaticContact CE2-CD2 3.95Å; F203-Y241 HydrophobicContact CE2-CD2 3.95Å; F203-Y241 HydrophobicContact CE2-CE2 4.07Å; F203-Y241 HydrophobicContact CZ-CD1 4.27Å; F203-Y241 AromaticContact CZ-CD2 3.2Å; F203-Y241 HydrophobicContact CZ-CD2 3.2Å; F203-Y241 AromaticContact CZ-CE2 3.5Å; F203-Y241 HydrophobicContact CZ-CE2 3.5Å; F203-Y241 AromaticContact CZ-CG 3.63Å; F203-Y241 HydrophobicContact CZ-CG 3.63Å; T204-Y241 WeakPolarHBondContact O-CA 3.28Å; T204-Y241 WeakPolarHBondContact O-CB 2.97Å; C236-Y241 HydrophobicContact CB-CD1 4.21Å; C236-Y241 HydrophobicContact CB-CG 4.32Å; Y241-F243 AromaticContact CD2-CD1 3.8Å; Y241-F243 HydrophobicContact CD2-CD1 3.8Å; Y241-F243 AromaticContact CD2-CE1 3.89Å; Y241-F243 HydrophobicContact CD2-CE1 3.89Å; Y241-F243 AromaticContact CE2-CD1 3.99Å; Y241-F243 HydrophobicContact CE2-CD1 3.99Å; Y241-F243 AromaticContact CE2-CE1 3.67Å; Y241-F243 HydrophobicContact CE2-CE1 3.67Å; Y241-E264 PolarHBondContact OH-OE1 3.16Å
242	I	98.8	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.2	-177.2	-65	-73.4	0	0	0	110	L80 V173 M174 L187 L191 L192 F203 T204 F285	L80-I242 HydrophobicContact CD1-CD1 4.44Å; V173-I242 WeakPolarHBondContact O-CA 3.42Å; M174-I242 HydrophobicContact CB-CD1 3.3Å; M174-I242 HydrophobicContact CG-CD1 3.47Å; M174-I242 VanDerWaalsContact CG-CD1 3.47Å; M174-I242 HydrophobicContact CG-CG1 4.45Å; M174-I242 HydrophobicContact SD-CD1 3.81Å; L187-I242 HydrophobicContact CD1-CD1 3.5Å; L187-I242 VanDerWaalsContact CD1-CD1 3.5Å; L187-I242 HydrophobicContact CD1-CG1 3.6Å; L187-I242 HydrophobicContact CD2-CD1 4.05Å; L187-I242 HydrophobicContact CG-CD1 4.38Å; L191-I242 HydrophobicContact CD2-CG1 4.44Å; L192-I242 HydrophobicContact CD2-CG2 3.66Å; F203-I242 CarbonylContact C-O 3.04Å; F203-I242 WeakPolarHBondContact CA-O 3.47Å; T204-I242 HydrophobicContact CG2-CB 3.92Å; T204-I242 HydrophobicContact CG2-CG2 4.45Å; T204-I242 PolarHBondContact N-O 2.83Å; T204-I242 PolarHBondContact O-N 3.35Å; I242-F285 HydrophobicContact CB-CZ 4.36Å; I242-F285 HydrophobicContact CG1-CE1 4.16Å; I242-F285 HydrophobicContact CG1-CZ 3.68Å
243	F	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	159.9	177.4	53	-78.6	0	0	0	112	M160 Y172 V173 Y202 F203 Y241 V247 A248	M160-F243 HydrophobicContact CE-CE1 3.78Å; M160-F243 HydrophobicContact CE-CE2 4.05Å; M160-F243 HydrophobicContact CE-CZ 3.35Å; M160-F243 HydrophobicContact SD-CE1 4.33Å; M160-F243 HydrophobicContact SD-CE2 3.58Å; M160-F243 VanDerWaalsContact SD-CE2 3.58Å; M160-F243 HydrophobicContact SD-CZ 3.33Å; M160-F243 WeakPolarHBondContact SD-CZ 3.2Å; Y172-F243 CarbonylContact C-O 3.54Å; Y172-F243 VanDerWaalsContact CA-O 3.29Å; Y172-F243 WeakPolarHBondContact CA-O 3.39Å; V173-F243 HydrophobicContact CB-CD1 4.42Å; V173-F243 HydrophobicContact CB-CD2 4.05Å; V173-F243 HydrophobicContact CB-CE1 3.9Å; V173-F243 HydrophobicContact CB-CE2 3.53Å; V173-F243 HydrophobicContact CB-CG 4.48Å; V173-F243 HydrophobicContact CB-CZ 3.43Å; V173-F243 VanDerWaalsContact CB-CZ 3.43Å; V173-F243 HydrophobicContact CG1-CE1 3.87Å; V173-F243 HydrophobicContact CG1-CE2 3.9Å; V173-F243 HydrophobicContact CG1-CZ 3.33Å; V173-F243 HydrophobicContact CG2-CD2 4.47Å; V173-F243 HydrophobicContact CG2-CE2 3.94Å; V173-F243 HydrophobicContact CG2-CZ 4.25Å; V173-F243 PolarHBondContact N-O 2.81Å; V173-F243 PolarHBondContact O-N 3.37Å; Y202-F243 CarbonylContact O-C 3.52Å; Y202-F243 WeakPolarHBondContact O-CA 3.5Å; Y202-F243 WeakPolarHBondContact O-CB 3.35Å; F203-F243 HydrophobicContact CB-CB 4.33Å; F203-F243 HydrophobicContact CD2-CB 3.43Å; F203-F243 VanDerWaalsContact CD2-CB 3.43Å; F203-F243 HydrophobicContact CD2-CD1 4.2Å; F203-F243 AromaticContact CD2-CG 3.94Å; F203-F243 HydrophobicContact CD2-CG 3.94Å; F203-F243 HydrophobicContact CE2-CB 3.94Å; F203-F243 AromaticContact CE2-CD1 3.79Å; F203-F243 HydrophobicContact CE2-CD1 3.79Å; F203-F243 AromaticContact CE2-CG 3.94Å; F203-F243 HydrophobicContact CE2-CG 3.94Å; F203-F243 HydrophobicContact CG-CB 4.04Å; F203-F243 HydrophobicContact CZ-CD1 4.39Å; Y241-F243 AromaticContact CD2-CD1 3.8Å; Y241-F243 HydrophobicContact CD2-CD1 3.8Å; Y241-F243 AromaticContact CD2-CE1 3.89Å; Y241-F243 HydrophobicContact CD2-CE1 3.89Å; Y241-F243 AromaticContact CE2-CD1 3.99Å; Y241-F243 HydrophobicContact CE2-CD1 3.99Å; Y241-F243 AromaticContact CE2-CE1 3.67Å; Y241-F243 HydrophobicContact CE2-CE1 3.67Å; F243-V247 HydrophobicContact CB-CB 4.3Å; F243-V247 HydrophobicContact CB-CG1 4.46Å; F243-V247 HydrophobicContact CD2-CB 3.93Å; F243-V247 HydrophobicContact CD2-CG1 4.27Å; F243-A248 HydrophobicContact CE2-CB 3.91Å
244	S	98.7	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.8	171.3	56.8	0	0	0	0	109.9	K171 R199 R201 Y202 D246 V247	K171-S244 WeakPolarHBondContact O-CA 3.32Å; R199-S244 WeakPolarHBondContact O-CB 3.31Å; R201-S244 PolarHBondContact N-OG 3.23Å; R201-S244 VanDerWaalsContact N-OG 3.11Å; Y202-S244 PolarHBondContact N-OG 3.09Å; Y202-S244 PolarHBondContact O-N 2.84Å; S244-D246 WeakPolarHBondContact CB-OD1 3.29Å; S244-D246 PolarHBondContact O-N 3.35Å; S244-D246 PolarHBondContact OG-OD1 2.81Å; S244-V247 WeakPolarHBondContact O-CB 3.46Å; S244-V247 PolarHBondContact O-N 3.28Å
245	A	98.4	Very high	98.4	Very high	8 Å²	8	19 Å²	19	7%	0.066	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.4	-169.7	0	0	0	0	0	114.1	A170 K171 V173 V247 A248	A170-A245 HydrophobicContact CB-CB 4.03Å; A170-A245 WeakPolarHBondContact O-CB 3.26Å; K171-A245 PolarHBondContact O-N 2.71Å; V173-A245 HydrophobicContact CG2-CB 4.07Å; A245-V247 PolarHBondContact O-N 3.33Å; A245-A248 VanDerWaalsContact O-CB 3.28Å; A245-A248 WeakPolarHBondContact O-CB 3.48Å; A245-A248 PolarHBondContact O-N 2.75Å; A245-A248 VanDerWaalsContact O-N 3.11Å
246	D	98.4	Very high	98.3	Very high	32 Å²	32	20 Å²	20	17%	0.171	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-25.2	174.1	64.4	-33.1	0	0	0	113.3	R200 R201 S244 A248 L250	R200-D246 IonicContact CZ-OD2 3.16Å; R200-D246 IonicContact NE-OD2 2.64Å; R200-D246 PolarHBondContact NE-OD2 2.84Å; R200-D246 IonicContact NH2-OD2 2.92Å; R200-D246 PolarHBondContact NH2-OD2 2.93Å; R201-D246 PolarHBondContact N-OD1 3.38Å; R201-D246 PolarHBondContact N-OD2 3.36Å; S244-D246 WeakPolarHBondContact CB-OD1 3.29Å; S244-D246 PolarHBondContact O-N 3.35Å; S244-D246 PolarHBondContact OG-OD1 2.81Å; D246-A248 VanDerWaalsContact C-N 3.3Å; D246-A248 PolarHBondContact O-N 2.82Å; D246-L250 WeakPolarHBondContact O-CG 3.47Å; D246-L250 PolarHBondContact O-N 2.74Å
247	V	98.8	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72.3	-23.4	177	-179.9	0	0	0	0	112	F203 F243 S244 A245 L250 I251 L272 I277	F203-V247 HydrophobicContact CD2-CG1 4.08Å; F243-V247 HydrophobicContact CB-CB 4.3Å; F243-V247 HydrophobicContact CB-CG1 4.46Å; F243-V247 HydrophobicContact CD2-CB 3.93Å; F243-V247 HydrophobicContact CD2-CG1 4.27Å; S244-V247 WeakPolarHBondContact O-CB 3.46Å; S244-V247 PolarHBondContact O-N 3.28Å; A245-V247 PolarHBondContact O-N 3.33Å; V247-L250 PolarHBondContact O-N 2.72Å; V247-I251 HydrophobicContact CG1-CD1 3.58Å; V247-I251 HydrophobicContact CG1-CG1 3.88Å; V247-I251 WeakPolarHBondContact O-CB 3.25Å; V247-I251 VanDerWaalsContact O-CG1 3.32Å; V247-I251 WeakPolarHBondContact O-CG1 3.43Å; V247-I251 PolarHBondContact O-N 3.41Å; V247-L272 HydrophobicContact CG1-CD2 4.03Å; V247-I277 HydrophobicContact CG1-CD1 4.25Å; V247-I277 HydrophobicContact CG2-CD1 3.95Å
248	A	98.7	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-52.5	175.7	0	0	0	0	0	111.4	M160 V163 F243 A245 D246 I251 Y252	M160-A248 HydrophobicContact SD-CB 4.08Å; V163-A248 HydrophobicContact CB-CB 4.2Å; V163-A248 HydrophobicContact CG1-CB 4.01Å; F243-A248 HydrophobicContact CE2-CB 3.91Å; A245-A248 VanDerWaalsContact O-CB 3.28Å; A245-A248 WeakPolarHBondContact O-CB 3.48Å; A245-A248 PolarHBondContact O-N 2.75Å; A245-A248 VanDerWaalsContact O-N 3.11Å; D246-A248 VanDerWaalsContact C-N 3.3Å; D246-A248 PolarHBondContact O-N 2.82Å; A248-I251 PolarHBondContact O-N 3.47Å; A248-Y252 WeakPolarHBondContact O-CB 3.35Å; A248-Y252 PolarHBondContact O-N 3.35Å
249	E	98.4	Very high	97.9	Very high	83 Å²	83	29 Å²	29	39%	0.388	13%	0.134	S	C	.	.	H	α-helix	trans	-65.3	-41.1	179.1	-172.1	-174.6	-179.4	0	0	111.5	A164 Y252 K253	A164-E249 HydrophobicContact CB-CB 3.79Å; A164-E249 HydrophobicContact CB-CG 4.13Å; E249-Y252 PolarHBondContact O-N 2.97Å; E249-K253 HydrophobicContact CG-CD 4.06Å; E249-K253 HydrophobicContact CG-CG 4.46Å; E249-K253 WeakPolarHBondContact O-CB 3.46Å; E249-K253 WeakPolarHBondContact O-CG 3.25Å; E249-K253 PolarHBondContact O-N 3.04Å; E249-K253 WeakPolarHBondContact OE1-CE 3.47Å; E249-K253 IonicContact OE1-NZ 3.15Å; E249-K253 PolarHBondContact OE1-NZ 2.87Å
250	L	98.7	Very high	97.8	Very high	47 Å²	47	31 Å²	31	25%	0.246	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-44.8	177.9	-69.5	173.9	0	0	0	111.7	D246 V247 T254 L275 I277	D246-L250 WeakPolarHBondContact O-CG 3.47Å; D246-L250 PolarHBondContact O-N 2.74Å; V247-L250 PolarHBondContact O-N 2.72Å; L250-T254 VanDerWaalsContact O-CB 3.25Å; L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 PolarHBondContact O-N 3.19Å; L250-T254 PolarHBondContact O-OG1 2.91Å; L250-L275 HydrophobicContact CB-CD1 3.73Å; L250-L275 HydrophobicContact CB-CD2 3.9Å; L250-L275 HydrophobicContact CB-CG 4.48Å; L250-L275 HydrophobicContact CD2-CD2 4.17Å; L250-L275 HydrophobicContact CG-CD2 4.47Å; L250-I277 HydrophobicContact CD1-CD1 4.22Å
251	I	98.7	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-50	176.3	-72.7	170.2	0	0	0	109.9	L157 M160 F203 V247 A248 K253 T254 S255 V268 C271 L272 L275	L157-I251 HydrophobicContact CD2-CG2 4.23Å; M160-I251 HydrophobicContact CE-CD1 4.17Å; M160-I251 HydrophobicContact CG-CG2 4.28Å; M160-I251 HydrophobicContact SD-CD1 4.44Å; F203-I251 HydrophobicContact CD2-CD1 4.45Å; F203-I251 HydrophobicContact CE2-CD1 3.97Å; V247-I251 HydrophobicContact CG1-CD1 3.58Å; V247-I251 HydrophobicContact CG1-CG1 3.88Å; V247-I251 WeakPolarHBondContact O-CB 3.25Å; V247-I251 VanDerWaalsContact O-CG1 3.32Å; V247-I251 WeakPolarHBondContact O-CG1 3.43Å; V247-I251 PolarHBondContact O-N 3.41Å; A248-I251 PolarHBondContact O-N 3.47Å; I251-K253 PolarHBondContact O-N 3.4Å; I251-T254 PolarHBondContact O-N 2.94Å; I251-T254 VanDerWaalsContact O-N 3.15Å; I251-S255 WeakPolarHBondContact O-CB 3.3Å; I251-S255 PolarHBondContact O-N 3.47Å; I251-V268 HydrophobicContact CD1-CG1 4Å; I251-C271 HydrophobicContact CG1-CB 4.35Å; I251-C271 HydrophobicContact CG2-CB 4.17Å; I251-L272 HydrophobicContact CD1-CD2 4.19Å; I251-L272 HydrophobicContact CG1-CD2 4.42Å; I251-L275 HydrophobicContact CG1-CD1 4.28Å
252	Y	98.3	Very high	97.6	Very high	41 Å²	41	32.7 Å²	32.7	16%	0.161	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-44.6	-179	178.7	-107.9	0	0	0	112.3	H61 R161 A248 E249 T254 S255	H61-Y252 HydrophobicContact CB-CE2 3.99Å; R161-Y252 HydrophobicContact CB-CD1 4.36Å; R161-Y252 HydrophobicContact CB-CD2 3.69Å; R161-Y252 HydrophobicContact CB-CE1 4.28Å; R161-Y252 HydrophobicContact CB-CE2 3.61Å; R161-Y252 HydrophobicContact CB-CG 4.08Å; R161-Y252 HydrophobicContact CG-CD1 4.49Å; R161-Y252 HydrophobicContact CG-CD2 4.39Å; R161-Y252 HydrophobicContact CG-CE1 4.01Å; R161-Y252 HydrophobicContact CG-CE2 3.91Å; A248-Y252 WeakPolarHBondContact O-CB 3.35Å; A248-Y252 PolarHBondContact O-N 3.35Å; E249-Y252 PolarHBondContact O-N 2.97Å; Y252-T254 VanDerWaalsContact C-N 3.32Å; Y252-T254 PolarHBondContact O-N 3.06Å; Y252-S255 PolarHBondContact O-N 3Å; Y252-S255 PolarHBondContact O-OG 3.13Å
253	K	97.7	Very high	97.6	Very high	115 Å²	115	33.2 Å²	33.2	50%	0.5	16%	0.155	S	C	.	.	H	α-helix	trans	-65.1	-36.8	176	-73.8	178.7	170.5	173.7	0	112.4	E249 I251	E249-K253 HydrophobicContact CG-CD 4.06Å; E249-K253 HydrophobicContact CG-CG 4.46Å; E249-K253 WeakPolarHBondContact O-CB 3.46Å; E249-K253 WeakPolarHBondContact O-CG 3.25Å; E249-K253 PolarHBondContact O-N 3.04Å; E249-K253 WeakPolarHBondContact OE1-CE 3.47Å; E249-K253 IonicContact OE1-NZ 3.15Å; E249-K253 PolarHBondContact OE1-NZ 2.87Å; I251-K253 PolarHBondContact O-N 3.4Å
254	T	97.8	Very high	97.6	Very high	24 Å²	24	33.6 Å²	33.6	15%	0.147	16%	0.157	C	C	.	.	H	α-helix	trans	-70.6	-33.2	178.2	-58.1	0	0	0	0	112	L250 I251 Y252 L256 H257 T258 C271 K274 L275	L250-T254 VanDerWaalsContact O-CB 3.25Å; L250-T254 WeakPolarHBondContact O-CB 3.46Å; L250-T254 PolarHBondContact O-N 3.19Å; L250-T254 PolarHBondContact O-OG1 2.91Å; I251-T254 PolarHBondContact O-N 2.94Å; I251-T254 VanDerWaalsContact O-N 3.15Å; Y252-T254 VanDerWaalsContact C-N 3.32Å; Y252-T254 PolarHBondContact O-N 3.06Å; T254-L256 VanDerWaalsContact C-N 3.33Å; T254-L256 PolarHBondContact O-N 3.06Å; T254-H257 CarbonylContact O-C 3.56Å; T254-H257 PolarHBondContact O-N 2.98Å; T254-T258 WeakPolarHBondContact O-CB 3.5Å; T254-T258 PolarHBondContact O-N 3.11Å; T254-T258 PolarHBondContact O-OG1 3.37Å; T254-C271 HydrophobicContact CG2-CB 4.13Å; T254-K274 HydrophobicContact CG2-CB 3.81Å; T254-K274 HydrophobicContact CG2-CD 3.86Å; T254-K274 HydrophobicContact CG2-CG 4.49Å; T254-L275 WeakPolarHBondContact OG1-CD2 3.47Å
255	S	97.7	Very high	97.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-35.7	-178.2	73.5	0	0	0	0	112.5	N59 I251 Y252 H257 T258 Y267	N59-S255 PolarHBondContact ND2-O 3.39Å; I251-S255 WeakPolarHBondContact O-CB 3.3Å; I251-S255 PolarHBondContact O-N 3.47Å; Y252-S255 PolarHBondContact O-N 3Å; Y252-S255 PolarHBondContact O-OG 3.13Å; S255-H257 PolarHBondContact O-N 3.36Å; S255-T258 PolarHBondContact O-N 3.34Å; S255-Y267 WeakPolarHBondContact CA-OH 3.33Å; S255-Y267 WeakPolarHBondContact CB-OH 3.13Å; S255-Y267 PolarHBondContact O-OH 3.42Å
256	L	97	Very high	97.6	Very high	34 Å²	34	34.9 Å²	34.9	18%	0.178	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.4	175.9	-60.8	179.6	0	0	0	112.8	P57 I58 N59 H61 T254	P57-L256 CarbonylContact C-O 3.46Å; P57-L256 VanDerWaalsContact CA-O 3.3Å; P57-L256 WeakPolarHBondContact CA-O 3.27Å; P57-L256 HydrophobicContact CB-CB 4.36Å; I58-L256 PolarHBondContact N-O 3.25Å; N59-L256 PolarHBondContact N-O 2.91Å; H61-L256 HydrophobicContact CB-CD2 4.26Å; T254-L256 VanDerWaalsContact C-N 3.33Å; T254-L256 PolarHBondContact O-N 3.06Å
257	H	96	Very high	97.6	Very high	70 Å²	70	33.4 Å²	33.4	32%	0.324	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	21.7	-179.8	-52.3	-67.8	0	0	0	113	T55 T254 S255 K274	T55-H257 PolarHBondContact O-CE1 3.49Å; T55-H257 VanDerWaalsContact O-CE1 3.22Å; T254-H257 CarbonylContact O-C 3.56Å; T254-H257 PolarHBondContact O-N 2.98Å; S255-H257 PolarHBondContact O-N 3.36Å; H257-K274 PolarHBondContact O-NZ 3.49Å
258	T	95.1	Very high	97.6	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.037	16%	0.156	C	C	.	.	S	Bend	trans	-127.6	115.1	-179.2	-58.2	0	0	0	0	110.2	N59 T254 S255 L260 Y267 L270 K274	N59-T258 PolarHBondContact ND2-O 3.12Å; T254-T258 WeakPolarHBondContact O-CB 3.5Å; T254-T258 PolarHBondContact O-N 3.11Å; T254-T258 PolarHBondContact O-OG1 3.37Å; S255-T258 PolarHBondContact O-N 3.34Å; T258-L260 PolarHBondContact O-N 3.47Å; T258-L260 VanDerWaalsContact O-N 3.15Å; T258-Y267 HydrophobicContact CG2-CE2 3.91Å; T258-Y267 WeakPolarHBondContact O-CE2 3.47Å; T258-Y267 PolarHBondContact O-OH 3.15Å; T258-L270 HydrophobicContact CG2-CB 4.35Å; T258-K274 HydrophobicContact CG2-CD 4.39Å; T258-K274 WeakPolarHBondContact OG1-CD 3.36Å; T258-K274 WeakPolarHBondContact OG1-CE 3.25Å; T258-K274 PolarHBondContact OG1-NZ 2.91Å
259	R	94.8	Very high	97.6	Very high	135 Å²	135	33.7 Å²	33.7	51%	0.509	16%	0.156	S	C	.	.			trans	-44.2	120.5	-179.6	-172.3	176.3	-166.1	-172.4	-1.8	111.4	D225 L226 Y267	D225-R259 PolarHBondContact O-NH1 3.45Å; D225-R259 PolarHBondContact O-NH2 3.39Å; L226-R259 HydrophobicContact CD1-CG 4.22Å; L226-R259 PolarHBondContact O-NH1 3.4Å; R259-Y267 WeakPolarHBondContact O-CE2 3.39Å
260	L	96	Very high	97.6	Very high	53 Å²	53	30.8 Å²	30.8	28%	0.277	14%	0.143	S	C	.	.			trans	-63.5	133.7	-172.6	-166.1	69.9	0	0	0	111.3	N59 T153 L154 L157 T258 Y267	N59-L260 WeakPolarHBondContact OD1-CB 3.09Å; N59-L260 PolarHBondContact OD1-N 3.16Å; T153-L260 HydrophobicContact CG2-CD1 3.53Å; T153-L260 HydrophobicContact CG2-CG 4.48Å; L154-L260 HydrophobicContact CD2-CD1 4.43Å; L154-L260 HydrophobicContact CD2-CD2 3.86Å; L154-L260 HydrophobicContact CG-CD2 4.49Å; L157-L260 HydrophobicContact CD1-CD1 4.26Å; T258-L260 PolarHBondContact O-N 3.47Å; T258-L260 VanDerWaalsContact O-N 3.15Å; L260-Y267 HydrophobicContact CD1-CE1 4.24Å; L260-Y267 HydrophobicContact CD1-CE2 4.08Å
261	L	97.3	Very high	97.6	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	13%	0.132	C	C	.	.			trans	-113.9	149.9	167	-58.3	-170.9	0	0	0	108.1	T153 M222 L226 Y227 V266 Y267 L270	T153-L261 WeakPolarHBondContact CB-O 3.48Å; T153-L261 WeakPolarHBondContact CG2-O 3.13Å; T153-L261 PolarHBondContact OG1-O 3.34Å; M222-L261 HydrophobicContact CE-CB 4.11Å; M222-L261 HydrophobicContact CE-CD1 4.04Å; M222-L261 HydrophobicContact CE-CD2 4.22Å; M222-L261 HydrophobicContact CE-CG 4.37Å; M222-L261 HydrophobicContact SD-CD1 4.48Å; M222-L261 HydrophobicContact SD-CD2 3.92Å; L226-L261 HydrophobicContact CD1-CD2 3.97Å; L226-L261 HydrophobicContact CD2-CD2 3.83Å; L226-L261 HydrophobicContact CG-CD2 3.55Å; Y227-L261 HydrophobicContact CD2-CD1 4.16Å; L261-V266 HydrophobicContact CD1-CG1 3.93Å; L261-Y267 HydrophobicContact CB-CD2 4.09Å; L261-Y267 HydrophobicContact CG-CD2 4.3Å; L261-L270 HydrophobicContact CD1-CD1 3.4Å; L261-L270 VanDerWaalsContact CD1-CD1 3.4Å; L261-L270 HydrophobicContact CG-CD1 4.04Å
262	H	96	Very high	97.6	Very high	33 Å²	33	28.6 Å²	28.6	15%	0.153	13%	0.132	C	C	.	.	S	Bend	trans	-79.2	-27	178.8	67.9	-79	0	0	0	112.6	H150 T153 Y221 E264	H150-H262 HydrophobicContact CB-CB 4.42Å; H150-H262 AromaticContact ND1-CD2 3.54Å; H150-H262 AromaticContact ND1-CG 3.81Å; H150-H262 WeakPolarHBondContact O-CB 3.39Å; T153-H262 PolarHBondContact OG1-O 3.5Å; Y221-H262 PolarHBondContact O-CE1 3.13Å; H262-E264 PolarHBondContact O-N 3.41Å; H262-E264 VanDerWaalsContact O-N 3.12Å
263	L	98.4	Very high	97.6	Very high	10 Å²	10	34 Å²	34	5%	0.052	15%	0.152	C	C	.	.			trans	-72.3	100.7	172.7	-59.1	-178.9	0	0	0	109.4	W220 M222 D265 V266 Y267	W220-L263 HydrophobicContact CB-CD2 4.44Å; M222-L263 HydrophobicContact CE-CB 4.4Å; M222-L263 HydrophobicContact CE-CD1 3.82Å; M222-L263 HydrophobicContact CE-CG 3.95Å; L263-D265 PolarHBondContact O-N 2.94Å; L263-V266 HydrophobicContact CB-CB 3.97Å; L263-V266 HydrophobicContact CB-CG2 3.93Å; L263-V266 HydrophobicContact CD1-CG2 4.15Å; L263-V266 PolarHBondContact O-N 2.71Å; L263-Y267 WeakPolarHBondContact O-CB 3.43Å; L263-Y267 PolarHBondContact O-N 3.35Å
264	E	98.3	Very high	97.6	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-48.2	-172.1	178	-87.3	125.3	0	0	113.3	L152 T153 T156 K175 Y241 H262 Y267 V268	L152-E264 HydrophobicContact CB-CB 4.05Å; T153-E264 WeakPolarHBondContact OG1-CA 3.37Å; T153-E264 PolarHBondContact OG1-N 3.33Å; T156-E264 HydrophobicContact CG2-CG 4.06Å; T156-E264 WeakPolarHBondContact CG2-OE1 3.19Å; T156-E264 VanDerWaalsContact OG1-CD 3.3Å; T156-E264 WeakPolarHBondContact OG1-CG 3.46Å; K175-E264 WeakPolarHBondContact CE-OE2 3.35Å; K175-E264 IonicContact NZ-OE2 3.63Å; K175-E264 PolarHBondContact NZ-OE2 3.08Å; Y241-E264 PolarHBondContact OH-OE1 3.16Å; H262-E264 PolarHBondContact O-N 3.41Å; H262-E264 VanDerWaalsContact O-N 3.12Å; E264-Y267 WeakPolarHBondContact O-CB 3.27Å; E264-Y267 PolarHBondContact O-N 3.44Å; E264-V268 WeakPolarHBondContact O-CG2 3.17Å; E264-V268 PolarHBondContact O-N 3.43Å; E264-V268 VanDerWaalsContact OE1-CG2 3.31Å; E264-V268 WeakPolarHBondContact OE1-CG2 3.48Å
265	D	98.6	Very high	97.7	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-46.2	179.7	52	-2.8	0	0	0	112.6	F235 C236 G238 L263 Y267 V268 G269	F235-D265 WeakPolarHBondContact CB-O 3.43Å; F235-D265 HydrophobicContact CD2-CB 3.9Å; F235-D265 HydrophobicContact CE2-CB 4.37Å; C236-D265 VanDerWaalsContact O-CB 3.27Å; C236-D265 WeakPolarHBondContact O-CB 3.39Å; G238-D265 PolarHBondContact N-OD2 2.86Å; L263-D265 PolarHBondContact O-N 2.94Å; D265-Y267 VanDerWaalsContact C-N 3.32Å; D265-Y267 PolarHBondContact O-N 2.82Å; D265-V268 PolarHBondContact O-N 3.19Å; D265-G269 PolarHBondContact O-N 2.73Å
266	V	98.6	Very high	97.7	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-43.1	173.4	178.2	0	0	0	0	110.7	Y232 F235 L261 L263 G269 L270	Y232-V266 HydrophobicContact CD1-CG1 3.44Å; Y232-V266 VanDerWaalsContact CD1-CG1 3.44Å; Y232-V266 HydrophobicContact CD2-CG1 3.98Å; Y232-V266 HydrophobicContact CD2-CG2 3.89Å; Y232-V266 HydrophobicContact CE1-CG1 3.59Å; Y232-V266 HydrophobicContact CE2-CG1 4.08Å; Y232-V266 HydrophobicContact CE2-CG2 3.82Å; Y232-V266 HydrophobicContact CG-CG1 3.63Å; Y232-V266 HydrophobicContact CG-CG2 4.37Å; F235-V266 HydrophobicContact CD1-CG2 4.28Å; F235-V266 HydrophobicContact CD2-CG2 4.34Å; F235-V266 HydrophobicContact CE1-CG2 4.02Å; F235-V266 HydrophobicContact CE2-CG2 4.06Å; F235-V266 HydrophobicContact CG-CG2 4.44Å; F235-V266 HydrophobicContact CZ-CG2 3.89Å; L261-V266 HydrophobicContact CD1-CG1 3.93Å; L263-V266 HydrophobicContact CB-CB 3.97Å; L263-V266 HydrophobicContact CB-CG2 3.93Å; L263-V266 HydrophobicContact CD1-CG2 4.15Å; L263-V266 PolarHBondContact O-N 2.71Å; V266-G269 WeakPolarHBondContact O-CA 3.37Å; V266-G269 PolarHBondContact O-N 2.78Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.67Å
267	Y	98.6	Very high	97.8	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-42	179.7	-173.7	-99.2	0	0	0	112.4	T153 L157 S255 T258 R259 L260 L261 L263 E264 D265 G269 L270 C271	T153-Y267 HydrophobicContact CG2-CD1 3.31Å; T153-Y267 HydrophobicContact CG2-CD2 4.36Å; T153-Y267 HydrophobicContact CG2-CE1 3.89Å; T153-Y267 HydrophobicContact CG2-CG 3.56Å; L157-Y267 HydrophobicContact CD1-CE1 3.87Å; L157-Y267 HydrophobicContact CD2-CE1 4.12Å; L157-Y267 HydrophobicContact CG-CE1 4.33Å; S255-Y267 WeakPolarHBondContact CA-OH 3.33Å; S255-Y267 WeakPolarHBondContact CB-OH 3.13Å; S255-Y267 PolarHBondContact O-OH 3.42Å; T258-Y267 HydrophobicContact CG2-CE2 3.91Å; T258-Y267 WeakPolarHBondContact O-CE2 3.47Å; T258-Y267 PolarHBondContact O-OH 3.15Å; R259-Y267 WeakPolarHBondContact O-CE2 3.39Å; L260-Y267 HydrophobicContact CD1-CE1 4.24Å; L260-Y267 HydrophobicContact CD1-CE2 4.08Å; L261-Y267 HydrophobicContact CB-CD2 4.09Å; L261-Y267 HydrophobicContact CG-CD2 4.3Å; L263-Y267 WeakPolarHBondContact O-CB 3.43Å; L263-Y267 PolarHBondContact O-N 3.35Å; E264-Y267 WeakPolarHBondContact O-CB 3.27Å; E264-Y267 PolarHBondContact O-N 3.44Å; D265-Y267 VanDerWaalsContact C-N 3.32Å; D265-Y267 PolarHBondContact O-N 2.82Å; Y267-G269 VanDerWaalsContact C-N 3.32Å; Y267-L270 WeakPolarHBondContact O-CB 3.47Å; Y267-L270 PolarHBondContact O-N 3.15Å; Y267-C271 PolarHBondContact O-N 3Å; Y267-C271 VanDerWaalsContact O-N 3.09Å; Y267-C271 PolarHBondContact O-SG 3.49Å; Y267-C271 VanDerWaalsContact O-SG 3.38Å
268	V	98.8	Very high	97.9	Very high	4 Å²	4	39 Å²	39	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-43.9	171.5	169.4	0	0	0	0	110.4	T156 F203 I251 E264 D265 L270 C271 L272	T156-V268 HydrophobicContact CG2-CG2 4.2Å; F203-V268 HydrophobicContact CE2-CG1 3.84Å; F203-V268 HydrophobicContact CZ-CG1 3.62Å; I251-V268 HydrophobicContact CD1-CG1 4Å; E264-V268 WeakPolarHBondContact O-CG2 3.17Å; E264-V268 PolarHBondContact O-N 3.43Å; E264-V268 VanDerWaalsContact OE1-CG2 3.31Å; E264-V268 WeakPolarHBondContact OE1-CG2 3.48Å; D265-V268 PolarHBondContact O-N 3.19Å; V268-L270 VanDerWaalsContact C-N 3.32Å; V268-L270 PolarHBondContact O-N 2.75Å; V268-C271 WeakPolarHBondContact O-CB 3.28Å; V268-C271 PolarHBondContact O-N 3.33Å; V268-C271 VanDerWaalsContact O-N 3.1Å; V268-L272 HydrophobicContact CG1-CD1 4.14Å; V268-L272 HydrophobicContact CG1-CG 4.3Å; V268-L272 WeakPolarHBondContact O-CG 3.15Å; V268-L272 PolarHBondContact O-N 3.48Å
269	G	98.6	Very high	98.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-40.1	173.6	0	0	0	0	0	113.9	D265 V266 Y267 L272 R273	D265-G269 PolarHBondContact O-N 2.73Å; V266-G269 WeakPolarHBondContact O-CA 3.37Å; V266-G269 PolarHBondContact O-N 2.78Å; Y267-G269 VanDerWaalsContact C-N 3.32Å; G269-L272 PolarHBondContact O-N 2.9Å; G269-R273 PolarHBondContact O-N 2.68Å
270	L	98.4	Very high	98.2	Very high	23 Å²	23	38.9 Å²	38.9	12%	0.12	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-41.6	174	-70	171.9	0	0	0	112.4	Y227 P233 T258 L261 V266 Y267 V268 R273 K274	Y227-L270 HydrophobicContact CE2-CD1 4.27Å; Y227-L270 HydrophobicContact CE2-CD2 3.88Å; P233-L270 HydrophobicContact CG-CD2 3.75Å; P233-L270 HydrophobicContact CG-CG 4.28Å; T258-L270 HydrophobicContact CG2-CB 4.35Å; L261-L270 HydrophobicContact CD1-CD1 3.4Å; L261-L270 VanDerWaalsContact CD1-CD1 3.4Å; L261-L270 HydrophobicContact CG-CD1 4.04Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.67Å; Y267-L270 WeakPolarHBondContact O-CB 3.47Å; Y267-L270 PolarHBondContact O-N 3.15Å; V268-L270 VanDerWaalsContact C-N 3.32Å; V268-L270 PolarHBondContact O-N 2.75Å; L270-R273 PolarHBondContact O-N 3.48Å; L270-K274 PolarHBondContact O-N 2.78Å; L270-K274 VanDerWaalsContact O-N 3.09Å
271	C	98.7	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-44.7	175.6	-64.5	0	0	0	0	110.9	I251 T254 Y267 V268 R273 K274 L275	I251-C271 HydrophobicContact CG1-CB 4.35Å; I251-C271 HydrophobicContact CG2-CB 4.17Å; T254-C271 HydrophobicContact CG2-CB 4.13Å; Y267-C271 PolarHBondContact O-N 3Å; Y267-C271 VanDerWaalsContact O-N 3.09Å; Y267-C271 PolarHBondContact O-SG 3.49Å; Y267-C271 VanDerWaalsContact O-SG 3.38Å; V268-C271 WeakPolarHBondContact O-CB 3.28Å; V268-C271 PolarHBondContact O-N 3.33Å; V268-C271 VanDerWaalsContact O-N 3.1Å; C271-R273 PolarHBondContact O-N 3.4Å; C271-K274 PolarHBondContact O-N 2.91Å; C271-L275 WeakPolarHBondContact O-CD1 3.39Å; C271-L275 VanDerWaalsContact O-CG 3.29Å; C271-L275 WeakPolarHBondContact O-CG 3.18Å; C271-L275 PolarHBondContact O-N 2.96Å
272	L	98.8	Very high	98.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-43.8	176	-68.9	176.5	0	0	0	112.1	F203 V247 I251 V268 G269 K274 L275 G276 I277 P279	F203-L272 HydrophobicContact CB-CD1 4.33Å; F203-L272 HydrophobicContact CB-CD2 4.32Å; F203-L272 HydrophobicContact CD1-CD1 3.78Å; F203-L272 HydrophobicContact CD2-CD1 3.82Å; F203-L272 HydrophobicContact CD2-CD2 3.7Å; F203-L272 HydrophobicContact CD2-CG 4.32Å; F203-L272 HydrophobicContact CE1-CD1 3.96Å; F203-L272 HydrophobicContact CE2-CD1 4Å; F203-L272 HydrophobicContact CE2-CD2 4.25Å; F203-L272 HydrophobicContact CG-CD1 3.71Å; F203-L272 HydrophobicContact CG-CD2 4.1Å; F203-L272 HydrophobicContact CZ-CD1 4.06Å; V247-L272 HydrophobicContact CG1-CD2 4.03Å; I251-L272 HydrophobicContact CD1-CD2 4.19Å; I251-L272 HydrophobicContact CG1-CD2 4.42Å; V268-L272 HydrophobicContact CG1-CD1 4.14Å; V268-L272 HydrophobicContact CG1-CG 4.3Å; V268-L272 WeakPolarHBondContact O-CG 3.15Å; V268-L272 PolarHBondContact O-N 3.48Å; G269-L272 PolarHBondContact O-N 2.9Å; L272-K274 PolarHBondContact O-N 2.81Å; L272-L275 CarbonylContact O-C 3.59Å; L272-L275 PolarHBondContact O-N 3.34Å; L272-L275 VanDerWaalsContact O-N 3.13Å; L272-G276 PolarHBondContact O-N 2.74Å; L272-I277 CarbonylContact C-O 3.55Å; L272-I277 WeakPolarHBondContact CB-O 3.45Å; L272-I277 HydrophobicContact CD2-CB 3.93Å; L272-I277 HydrophobicContact CD2-CG2 3.82Å; L272-I277 PolarHBondContact O-N 3.15Å; L272-P279 HydrophobicContact CD1-CB 4.44Å
273	R	98.5	Very high	98.4	Very high	155 Å²	155	45.8 Å²	45.8	59%	0.585	24%	0.235	S	C	*	.	H	α-helix	trans	-57.7	-48.1	175.1	-171.1	-162.8	-174.9	161.4	-7.3	111.6	P233 G269 L270 C271 L275 G276	P233-R273 HydrophobicContact CB-CB 3.93Å; P233-R273 HydrophobicContact CB-CG 4.1Å; P233-R273 HydrophobicContact CG-CB 4.16Å; G269-R273 PolarHBondContact O-N 2.68Å; L270-R273 PolarHBondContact O-N 3.48Å; C271-R273 PolarHBondContact O-N 3.4Å; R273-L275 PolarHBondContact O-N 3.13Å; R273-G276 PolarHBondContact O-N 3.04Å
274	K	98.2	Very high	98.4	Very high	123 Å²	123	45.7 Å²	45.7	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-31.7	177.5	-76.4	-175.2	172.9	-169.3	0	112.8	T254 H257 T258 L270 C271 L272 G276	T254-K274 HydrophobicContact CG2-CB 3.81Å; T254-K274 HydrophobicContact CG2-CD 3.86Å; T254-K274 HydrophobicContact CG2-CG 4.49Å; H257-K274 PolarHBondContact O-NZ 3.49Å; T258-K274 HydrophobicContact CG2-CD 4.39Å; T258-K274 WeakPolarHBondContact OG1-CD 3.36Å; T258-K274 WeakPolarHBondContact OG1-CE 3.25Å; T258-K274 PolarHBondContact OG1-NZ 2.91Å; L270-K274 PolarHBondContact O-N 2.78Å; L270-K274 VanDerWaalsContact O-N 3.09Å; C271-K274 PolarHBondContact O-N 2.91Å; L272-K274 PolarHBondContact O-N 2.81Å; K274-G276 VanDerWaalsContact C-N 3.31Å
275	L	98.5	Very high	98.4	Very high	29 Å²	29	45.3 Å²	45.3	15%	0.152	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.3	175.3	-68.8	164.4	0	0	0	112.9	R201 L250 I251 T254 C271 L272 R273 I277	R201-L275 PolarHBondContact NH2-O 2.98Å; L250-L275 HydrophobicContact CB-CD1 3.73Å; L250-L275 HydrophobicContact CB-CD2 3.9Å; L250-L275 HydrophobicContact CB-CG 4.48Å; L250-L275 HydrophobicContact CD2-CD2 4.17Å; L250-L275 HydrophobicContact CG-CD2 4.47Å; I251-L275 HydrophobicContact CG1-CD1 4.28Å; T254-L275 WeakPolarHBondContact OG1-CD2 3.47Å; C271-L275 WeakPolarHBondContact O-CD1 3.39Å; C271-L275 VanDerWaalsContact O-CG 3.29Å; C271-L275 WeakPolarHBondContact O-CG 3.18Å; C271-L275 PolarHBondContact O-N 2.96Å; L272-L275 CarbonylContact O-C 3.59Å; L272-L275 PolarHBondContact O-N 3.34Å; L272-L275 VanDerWaalsContact O-N 3.13Å; R273-L275 PolarHBondContact O-N 3.13Å; L275-I277 HydrophobicContact CB-CB 4.48Å; L275-I277 HydrophobicContact CB-CD1 3.98Å; L275-I277 HydrophobicContact CB-CG1 3.93Å; L275-I277 HydrophobicContact CD1-CD1 4.23Å; L275-I277 PolarHBondContact O-N 3.39Å
276	G	98.5	Very high	98.3	Very high	49 Å²	49	44.3 Å²	44.3	51%	0.505	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	24.5	-171.5	0	0	0	0	0	113.5	L272 R273 K274 H278	L272-G276 PolarHBondContact O-N 2.74Å; R273-G276 PolarHBondContact O-N 3.04Å; K274-G276 VanDerWaalsContact C-N 3.31Å; G276-H278 PolarHBondContact O-ND1 3.28Å
277	I	98.7	Very high	98.2	Very high	7 Å²	7	47 Å²	47	4%	0.036	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-94.6	122.7	175.1	-62	176	0	0	0	107.7	R201 F203 V247 L250 L272 L275	R201-I277 HydrophobicContact CB-CD1 4.09Å; R201-I277 HydrophobicContact CB-CG1 4.22Å; R201-I277 HydrophobicContact CG-CD1 4.46Å; R201-I277 WeakPolarHBondContact O-CG2 3.37Å; F203-I277 HydrophobicContact CB-CG2 4.21Å; V247-I277 HydrophobicContact CG1-CD1 4.25Å; V247-I277 HydrophobicContact CG2-CD1 3.95Å; L250-I277 HydrophobicContact CD1-CD1 4.22Å; L272-I277 CarbonylContact C-O 3.55Å; L272-I277 WeakPolarHBondContact CB-O 3.45Å; L272-I277 HydrophobicContact CD2-CB 3.93Å; L272-I277 HydrophobicContact CD2-CG2 3.82Å; L272-I277 PolarHBondContact O-N 3.15Å; L275-I277 HydrophobicContact CB-CB 4.48Å; L275-I277 HydrophobicContact CB-CD1 3.98Å; L275-I277 HydrophobicContact CB-CG1 3.93Å; L275-I277 HydrophobicContact CD1-CD1 4.23Å; L275-I277 PolarHBondContact O-N 3.39Å
278	H	98.3	Very high	98.1	Very high	142 Å²	142	52 Å²	52	66%	0.657	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-97.6	124.5	-179.8	-65	79.6	0	0	0	109.5	G276	G276-H278 PolarHBondContact O-ND1 3.28Å
279	P	98.6	Very high	98.1	Very high	21 Å²	21	55.1 Å²	55.1	14%	0.136	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-70.1	136.4	175.9	29.8	-34.1	0	0	0	110.7	F203 V207 P234 L272	F203-P279 HydrophobicContact CD1-CB 4.04Å; F203-P279 WeakPolarHBondContact O-CA 3.42Å; V207-P279 HydrophobicContact CG1-CG 4.39Å; V207-P279 HydrophobicContact CG2-CB 3.97Å; V207-P279 HydrophobicContact CG2-CG 4.22Å; P234-P279 HydrophobicContact CB-CG 4.18Å; L272-P279 HydrophobicContact CD1-CB 4.44Å
280	F	98.4	Very high	97.9	Very high	117 Å²	117	56.4 Å²	56.4	51%	0.513	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124	178.5	-65.7	-86	0	0	0	111	Y202 F203 T204 G205 N282	Y202-F280 AromaticContact CD2-CD2 3.79Å; Y202-F280 HydrophobicContact CD2-CD2 3.79Å; Y202-F280 AromaticContact CD2-CE2 3.94Å; Y202-F280 HydrophobicContact CD2-CE2 3.94Å; Y202-F280 AromaticContact CE2-CD2 3.7Å; Y202-F280 HydrophobicContact CE2-CD2 3.7Å; Y202-F280 HydrophobicContact CE2-CE2 4.24Å; Y202-F280 HydrophobicContact CE2-CG 4.33Å; F203-F280 WeakPolarHBondContact O-CD2 3.17Å; F203-F280 PolarHBondContact O-N 3.4Å; T204-F280 WeakPolarHBondContact CA-O 3.29Å; T204-F280 WeakPolarHBondContact CB-O 3.32Å; T204-F280 PolarHBondContact OG1-O 3.03Å; G205-F280 PolarHBondContact N-O 3.39Å; F280-N282 PolarHBondContact O-N 3.01Å
281	Q	98.5	Very high	97.8	Very high	101 Å²	101	58.7 Å²	58.7	47%	0.472	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	132.6	172	176.2	60.4	19.3	0	0	110.8	V207	V207-Q281 HydrophobicContact CB-CB 4.41Å; V207-Q281 VanDerWaalsContact CB-OE1 3.26Å; V207-Q281 HydrophobicContact CG2-CB 4.29Å; V207-Q281 PolarHBondContact O-OE1 2.97Å
282	N	98.3	Very high	97.7	Very high	31 Å²	31	61.9 Å²	61.9	17%	0.166	31%	0.314	C	S	.	.			trans	-140	112	176.5	-174	-31.3	0	0	0	110.8	L191 T204 G205 F280 G284 F285	L191-N282 WeakPolarHBondContact CD1-ND2 3.44Å; T204-N282 WeakPolarHBondContact OG1-CB 3.33Å; G205-N282 PolarHBondContact O-N 2.65Å; F280-N282 PolarHBondContact O-N 3.01Å; N282-G284 PolarHBondContact O-N 3.3Å; N282-G284 VanDerWaalsContact O-N 3.14Å; N282-G284 WeakPolarHBondContact OD1-CA 3.38Å; N282-G284 PolarHBondContact OD1-N 2.98Å; N282-F285 HydrophobicContact CB-CD2 3.75Å; N282-F285 HydrophobicContact CB-CE2 4.08Å; N282-F285 PolarHBondContact O-N 3.07Å; N282-F285 VanDerWaalsContact O-N 3.1Å
283	S	96.3	Very high	97.5	Very high	103 Å²	103	63.5 Å²	63.5	72%	0.72	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.9	-178.8	58.9	0	0	0	0	114.4	F285	S283-F285 VanDerWaalsContact C-N 3.25Å
284	G	97.7	Very high	97.3	Very high	7 Å²	7	57.2 Å²	57.2	7%	0.072	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.9	169.3	0	0	0	0	0	112.8	N282 N286 I301 T302	N282-G284 PolarHBondContact O-N 3.3Å; N282-G284 VanDerWaalsContact O-N 3.14Å; N282-G284 WeakPolarHBondContact OD1-CA 3.38Å; N282-G284 PolarHBondContact OD1-N 2.98Å; G284-N286 PolarHBondContact O-ND2 3.48Å; G284-I301 WeakPolarHBondContact O-CA 3.49Å; G284-I301 PolarHBondContact O-N 3.28Å; G284-T302 PolarHBondContact O-N 3.39Å; G284-T302 VanDerWaalsContact O-N 3.11Å
285	F	98.5	Very high	97.1	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-90.5	113.9	179.4	-69.5	-101.9	0	0	0	110.1	L191 T204 Y206 G240 I242 N282 S283 I301 T302	L191-F285 HydrophobicContact CD2-CE2 3.91Å; L191-F285 HydrophobicContact CD2-CZ 4.09Å; T204-F285 HydrophobicContact CG2-CE2 4.39Å; Y206-F285 WeakPolarHBondContact CD2-O 3.43Å; G240-F285 VanDerWaalsContact O-CD1 3.31Å; G240-F285 WeakPolarHBondContact O-CD1 3.43Å; I242-F285 HydrophobicContact CB-CZ 4.36Å; I242-F285 HydrophobicContact CG1-CE1 4.16Å; I242-F285 HydrophobicContact CG1-CZ 3.68Å; N282-F285 HydrophobicContact CB-CD2 3.75Å; N282-F285 HydrophobicContact CB-CE2 4.08Å; N282-F285 PolarHBondContact O-N 3.07Å; N282-F285 VanDerWaalsContact O-N 3.1Å; S283-F285 VanDerWaalsContact C-N 3.25Å; F285-I301 HydrophobicContact CD2-CD1 4.32Å; F285-I301 HydrophobicContact CE1-CG2 4.22Å; F285-I301 HydrophobicContact CE2-CB 4.42Å; F285-I301 HydrophobicContact CE2-CD1 3.79Å; F285-I301 HydrophobicContact CE2-CG2 4.24Å; F285-I301 HydrophobicContact CZ-CD1 4.4Å; F285-I301 HydrophobicContact CZ-CG2 3.97Å; F285-T302 WeakPolarHBondContact CA-OG1 3.35Å; F285-T302 HydrophobicContact CD1-CG2 3.78Å; F285-T302 HydrophobicContact CE1-CG2 4Å
286	N	97.6	Very high	96.9	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.064	31%	0.312	C	S	.	.			trans	-109.3	118.9	177.4	-56.9	-94.4	0	0	0	108.7	G284 W288 M290 V300 T302	G284-N286 PolarHBondContact O-ND2 3.48Å; N286-W288 VanDerWaalsContact C-N 3.28Å; N286-W288 HydrophobicContact CB-CD2 4.29Å; N286-W288 HydrophobicContact CB-CE3 4.43Å; N286-W288 HydrophobicContact CB-CH2 4.27Å; N286-W288 HydrophobicContact CB-CZ2 4.13Å; N286-W288 HydrophobicContact CB-CZ3 4.42Å; N286-W288 WeakPolarHBondContact OD1-CH2 3.47Å; N286-W288 WeakPolarHBondContact OD1-CZ2 3.36Å; N286-M290 HydrophobicContact CB-CG 4.46Å; N286-M290 HydrophobicContact CB-SD 3.6Å; N286-M290 VanDerWaalsContact CB-SD 3.6Å; N286-M290 PolarHBondContact OD1-SD 2.98Å; N286-V300 WeakPolarHBondContact ND2-CB 3.39Å; N286-V300 WeakPolarHBondContact ND2-CG1 3.21Å; N286-T302 WeakPolarHBondContact CB-O 3.45Å; N286-T302 PolarHBondContact N-O 3.26Å; N286-T302 VanDerWaalsContact N-O 3.13Å; N286-T302 PolarHBondContact N-OG1 2.92Å; N286-T302 PolarHBondContact ND2-O 3.25Å; N286-T302 VanDerWaalsContact ND2-O 3.11Å
287	H	96	Very high	96.8	Very high	58 Å²	58	57 Å²	57	27%	0.269	29%	0.288	S	S	.	.			trans	-92.7	15	-178.9	66.2	-82.6	0	0	0	112.8	Y206 S237 T239 H304	Y206-H287 AromaticContact CD1-CE1 3.44Å; Y206-H287 VanDerWaalsContact CD1-CE1 3.44Å; Y206-H287 WeakPolarHBondContact CD1-CE1 3.31Å; Y206-H287 AromaticContact CD1-ND1 3.19Å; Y206-H287 WeakPolarHBondContact CD1-ND1 3.11Å; Y206-H287 AromaticContact CD2-ND1 3.74Å; Y206-H287 AromaticContact CE1-CE1 3.13Å; Y206-H287 WeakPolarHBondContact CE1-CE1 3.35Å; Y206-H287 AromaticContact CE1-ND1 3.42Å; Y206-H287 WeakPolarHBondContact CE1-ND1 3.3Å; Y206-H287 AromaticContact CE2-CE1 3.92Å; Y206-H287 AromaticContact CE2-ND1 3.92Å; Y206-H287 AromaticContact CG-CE1 3.97Å; Y206-H287 AromaticContact CG-ND1 3.36Å; Y206-H287 AromaticContact CZ-CE1 3.39Å; Y206-H287 AromaticContact CZ-ND1 3.77Å; S237-H287 WeakPolarHBondContact OG-CB 3.44Å; T239-H287 HydrophobicContact CG2-CB 3.9Å; T239-H287 VanDerWaalsContact OG1-CB 3.31Å; T239-H287 WeakPolarHBondContact OG1-CB 3.46Å; H287-H304 PolarHBondContact O-ND1 3.12Å
288	W	97.1	Very high	96.6	Very high	106 Å²	106	58.9 Å²	58.9	40%	0.402	30%	0.295	S	S	.	.	S	Bend	trans	-132.3	162.3	-179.9	61.7	93.7	0	0	0	111.1	Y206 N286 M290 H304	Y206-W288 HydrophobicContact CD2-CZ3 4.12Å; Y206-W288 HydrophobicContact CE2-CH2 4.12Å; Y206-W288 AromaticContact CE2-CZ3 3.76Å; Y206-W288 HydrophobicContact CE2-CZ3 3.76Å; N286-W288 VanDerWaalsContact C-N 3.28Å; N286-W288 HydrophobicContact CB-CD2 4.29Å; N286-W288 HydrophobicContact CB-CE3 4.43Å; N286-W288 HydrophobicContact CB-CH2 4.27Å; N286-W288 HydrophobicContact CB-CZ2 4.13Å; N286-W288 HydrophobicContact CB-CZ3 4.42Å; N286-W288 WeakPolarHBondContact OD1-CH2 3.47Å; N286-W288 WeakPolarHBondContact OD1-CZ2 3.36Å; W288-M290 PolarHBondContact O-N 3.32Å; W288-H304 PolarHBondContact O-N 2.77Å
289	K	97.2	Very high	96.4	Very high	70 Å²	70	60.8 Å²	60.8	30%	0.304	30%	0.297	S	S	.	.			trans	-65.4	131.6	173.6	-176.6	65.7	170.8	-170.3	0	110.7	H304 Q305 I306 E310	K289-H304 WeakPolarHBondContact CA-O 3.18Å; K289-Q305 HydrophobicContact CB-CB 4.16Å; K289-Q305 HydrophobicContact CD-CB 4.03Å; K289-Q305 VanDerWaalsContact CD-O 3.27Å; K289-Q305 WeakPolarHBondContact CD-O 3.32Å; K289-Q305 WeakPolarHBondContact CE-O 3.39Å; K289-Q305 PolarHBondContact NZ-O 3.4Å; K289-I306 HydrophobicContact CD-CD1 4.22Å; K289-E310 IonicContact NZ-OE1 3.79Å; K289-E310 PolarHBondContact NZ-OE1 2.9Å; K289-E310 IonicContact NZ-OE2 3.88Å; K289-E310 PolarHBondContact NZ-OE2 3.4Å
290	M	95.8	Very high	96.4	Very high	29 Å²	29	60.3 Å²	60.3	14%	0.143	29%	0.293	C	S	.	.			trans	-117.4	132.8	172	-61	174	64.7	0	0	110.3	N286 W288 Y292 Y297 V300 V303	N286-M290 HydrophobicContact CB-CG 4.46Å; N286-M290 HydrophobicContact CB-SD 3.6Å; N286-M290 VanDerWaalsContact CB-SD 3.6Å; N286-M290 PolarHBondContact OD1-SD 2.98Å; W288-M290 PolarHBondContact O-N 3.32Å; M290-Y292 PolarHBondContact O-N 3.28Å; M290-Y297 HydrophobicContact CB-CE2 4.23Å; M290-Y297 PolarHBondContact O-OH 3.5Å; M290-V300 HydrophobicContact CE-CG1 4.05Å; M290-V300 HydrophobicContact SD-CG1 4.24Å; M290-V303 HydrophobicContact CB-CG1 3.78Å; M290-V303 HydrophobicContact CG-CG1 3.94Å; M290-V303 HydrophobicContact SD-CG1 4.22Å; M290-V303 HydrophobicContact SD-CG2 3.88Å
291	A	95.9	Very high	96.4	Very high	71 Å²	71	55.3 Å²	55.3	59%	0.587	27%	0.271	S	S	*	.			trans	-54.6	131.2	169	0	0	0	0	0	110	S293	A291-S293 PolarHBondContact O-N 3.21Å
292	Y	95.8	Very high	96.4	Very high	66 Å²	66	50.5 Å²	50.5	26%	0.259	25%	0.249	S	C	.	.			trans	-66.2	130.6	-176.3	-179.3	-108.8	0	0	0	111.4	M290 Y297 I314 D317	M290-Y292 PolarHBondContact O-N 3.28Å; Y292-Y297 AromaticContact CD2-CD1 3.92Å; Y292-Y297 HydrophobicContact CD2-CD1 3.92Å; Y292-Y297 AromaticContact CD2-CD2 3.7Å; Y292-Y297 HydrophobicContact CD2-CD2 3.7Å; Y292-Y297 AromaticContact CD2-CE1 3.98Å; Y292-Y297 HydrophobicContact CD2-CE1 3.98Å; Y292-Y297 AromaticContact CD2-CE2 3.78Å; Y292-Y297 HydrophobicContact CD2-CE2 3.78Å; Y292-Y297 AromaticContact CD2-CG 3.76Å; Y292-Y297 HydrophobicContact CD2-CG 3.76Å; Y292-Y297 AromaticContact CD2-CZ 3.89Å; Y292-Y297 HydrophobicContact CE2-CD1 4.02Å; Y292-Y297 HydrophobicContact CE2-CD2 4.14Å; Y292-Y297 HydrophobicContact CE2-CE1 4.5Å; Y292-Y297 AromaticContact CE2-CG 3.8Å; Y292-Y297 HydrophobicContact CE2-CG 3.8Å; Y292-I314 HydrophobicContact CD2-CB 4.44Å; Y292-I314 HydrophobicContact CD2-CD1 4.31Å; Y292-I314 HydrophobicContact CD2-CG1 3.61Å; Y292-I314 HydrophobicContact CD2-CG2 4.29Å; Y292-I314 HydrophobicContact CE2-CB 4.14Å; Y292-I314 HydrophobicContact CE2-CG1 3.8Å; Y292-I314 HydrophobicContact CE2-CG2 3.78Å; Y292-I314 HydrophobicContact CG-CG1 4.22Å; Y292-D317 HydrophobicContact CE1-CB 4.36Å; Y292-D317 WeakPolarHBondContact CE1-OD2 3.19Å; Y292-D317 WeakPolarHBondContact OH-CB 3.22Å; Y292-D317 PolarHBondContact OH-OD2 3.24Å
293	S	94.8	Very high	96.4	Very high	36 Å²	36	49 Å²	49	25%	0.252	24%	0.241	S	C	.	.			trans	-151.2	139.1	159.3	60	0	0	0	0	108.1	A291 C295 R296 Y297	A291-S293 PolarHBondContact O-N 3.21Å; S293-C295 PolarHBondContact O-N 3.43Å; S293-R296 PolarHBondContact O-N 3.47Å; S293-R296 VanDerWaalsContact OG-CB 3.27Å; S293-R296 WeakPolarHBondContact OG-CB 3.41Å; S293-R296 VanDerWaalsContact OG-CD 3.32Å; S293-R296 WeakPolarHBondContact OG-CD 3.49Å; S293-R296 WeakPolarHBondContact OG-CG 3.28Å; S293-R296 PolarHBondContact OG-N 3.46Å; S293-Y297 WeakPolarHBondContact O-CD2 3.38Å; S293-Y297 PolarHBondContact O-N 2.98Å
294	L	94.6	Very high	96.5	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.12	22%	0.215	C	C	.	.	H	α-helix	trans	-50.9	-44.6	-178.7	-178.3	62.9	0	0	0	111.8	R298 M318 K321 L324	L294-R298 VanDerWaalsContact O-CG 3.25Å; L294-R298 WeakPolarHBondContact O-CG 3.24Å; L294-R298 PolarHBondContact O-N 3.23Å; L294-R298 VanDerWaalsContact O-N 3.1Å; L294-M318 HydrophobicContact CD1-CB 4.44Å; L294-M318 HydrophobicContact CD1-CG 3.91Å; L294-K321 HydrophobicContact CD1-CB 4.49Å; L294-K321 HydrophobicContact CD2-CB 3.67Å; L294-K321 HydrophobicContact CD2-CD 3.96Å; L294-K321 HydrophobicContact CD2-CG 4.46Å; L294-L324 HydrophobicContact CD2-CB 4.49Å; L294-L324 HydrophobicContact CD2-CD1 4.29Å
295	C	94.5	Very high	96.5	Very high	47 Å²	47	50.7 Å²	50.7	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-73.5	-34.2	-176	-64.7	0	0	0	0	114.9	S293 C326	S293-C295 PolarHBondContact O-N 3.43Å; C295-C326 WeakPolarHBondContact CA-SG 3.42Å; C295-C326 HydrophobicContact CB-CB 3.57Å; C295-C326 WeakPolarHBondContact CB-SG 3.41Å; C295-C326 VanDerWaalsContact SG-CA 3.51Å; C295-C326 WeakPolarHBondContact SG-CB 3.14Å; C295-C326 CovalentContact SG-SG 2.04Å; C295-C326 PolarHBondContact SG-SG 2.99Å
296	R	94.6	Very high	96.4	Very high	147 Å²	147	50.8 Å²	50.8	56%	0.555	24%	0.236	S	C	*	.	H	α-helix	trans	-69.8	-45.2	173.2	-65.9	178.4	-165.2	172.4	1.8	110.4	S293 R298 R299 V300	S293-R296 PolarHBondContact O-N 3.47Å; S293-R296 VanDerWaalsContact OG-CB 3.27Å; S293-R296 WeakPolarHBondContact OG-CB 3.41Å; S293-R296 VanDerWaalsContact OG-CD 3.32Å; S293-R296 WeakPolarHBondContact OG-CD 3.49Å; S293-R296 WeakPolarHBondContact OG-CG 3.28Å; S293-R296 PolarHBondContact OG-N 3.46Å; R296-R298 PolarHBondContact O-N 3.46Å; R296-R299 PolarHBondContact O-N 3.31Å; R296-V300 PolarHBondContact O-N 3.4Å
297	Y	96	Very high	96.5	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-22	-177.4	-84.4	-118.1	0	0	0	113	F181 N183 M290 Y292 S293 R299 V303 I314	F181-Y297 AromaticContact CD1-CD1 3.99Å; F181-Y297 HydrophobicContact CD1-CD1 3.99Å; F181-Y297 HydrophobicContact CD1-CE1 4.29Å; F181-Y297 HydrophobicContact CE1-CD1 4.26Å; N183-Y297 PolarHBondContact ND2-O 3.33Å; M290-Y297 HydrophobicContact CB-CE2 4.23Å; M290-Y297 PolarHBondContact O-OH 3.5Å; Y292-Y297 AromaticContact CD2-CD1 3.92Å; Y292-Y297 HydrophobicContact CD2-CD1 3.92Å; Y292-Y297 AromaticContact CD2-CD2 3.7Å; Y292-Y297 HydrophobicContact CD2-CD2 3.7Å; Y292-Y297 AromaticContact CD2-CE1 3.98Å; Y292-Y297 HydrophobicContact CD2-CE1 3.98Å; Y292-Y297 AromaticContact CD2-CE2 3.78Å; Y292-Y297 HydrophobicContact CD2-CE2 3.78Å; Y292-Y297 AromaticContact CD2-CG 3.76Å; Y292-Y297 HydrophobicContact CD2-CG 3.76Å; Y292-Y297 AromaticContact CD2-CZ 3.89Å; Y292-Y297 HydrophobicContact CE2-CD1 4.02Å; Y292-Y297 HydrophobicContact CE2-CD2 4.14Å; Y292-Y297 HydrophobicContact CE2-CE1 4.5Å; Y292-Y297 AromaticContact CE2-CG 3.8Å; Y292-Y297 HydrophobicContact CE2-CG 3.8Å; S293-Y297 WeakPolarHBondContact O-CD2 3.38Å; S293-Y297 PolarHBondContact O-N 2.98Å; Y297-R299 VanDerWaalsContact C-N 3.3Å; Y297-R299 PolarHBondContact O-N 3.16Å; Y297-V303 HydrophobicContact CD1-CG2 4.19Å; Y297-V303 HydrophobicContact CE1-CB 4.06Å; Y297-V303 HydrophobicContact CE1-CG1 4.36Å; Y297-V303 HydrophobicContact CE1-CG2 3.75Å; Y297-V303 HydrophobicContact CE2-CG2 4.34Å; Y297-V303 WeakPolarHBondContact OH-CG1 3.5Å; Y297-I314 HydrophobicContact CD1-CD1 4.49Å; Y297-I314 HydrophobicContact CD1-CG2 3.8Å; Y297-I314 HydrophobicContact CE1-CD1 3.75Å; Y297-I314 HydrophobicContact CE1-CG1 4.34Å; Y297-I314 HydrophobicContact CE1-CG2 4.14Å
298	R	94.1	Very high	96.6	Very high	48 Å²	48	50.8 Å²	50.8	18%	0.181	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.1	169.9	-78.9	172.6	174.5	-172.9	-3.8	115.3	N186 L294 R296 M318 K321 L324	N186-R298 PolarHBondContact ND2-O 3.06Å; L294-R298 VanDerWaalsContact O-CG 3.25Å; L294-R298 WeakPolarHBondContact O-CG 3.24Å; L294-R298 PolarHBondContact O-N 3.23Å; L294-R298 VanDerWaalsContact O-N 3.1Å; R296-R298 PolarHBondContact O-N 3.46Å; R298-M318 HydrophobicContact CG-CE 4.44Å; R298-K321 VanDerWaalsContact NH2-C 3.27Å; R298-K321 PolarHBondContact NH2-O 3.07Å; R298-L324 PolarHBondContact NH1-O 3.19Å
299	R	95	Very high	96.7	Very high	182 Å²	182	51.9 Å²	51.9	69%	0.687	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-12.3	-178.5	-63.2	179.3	-174.7	-174.3	3.3	113.1	R296 Y297 C326	R296-R299 PolarHBondContact O-N 3.31Å; Y297-R299 VanDerWaalsContact C-N 3.3Å; Y297-R299 PolarHBondContact O-N 3.16Å; R299-C326 PolarHBondContact NH2-O 3.46Å
300	V	97.2	Very high	96.7	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.067	25%	0.248	C	C	.	.			trans	-98.3	164.5	178.9	-54.9	0	0	0	0	111.8	N183 N186 N286 M290 R296 V303	N183-V300 VanDerWaalsContact CB-O 3.32Å; N183-V300 WeakPolarHBondContact CB-O 3.39Å; N186-V300 PolarHBondContact ND2-O 3.13Å; N286-V300 WeakPolarHBondContact ND2-CB 3.39Å; N286-V300 WeakPolarHBondContact ND2-CG1 3.21Å; M290-V300 HydrophobicContact CE-CG1 4.05Å; M290-V300 HydrophobicContact SD-CG1 4.24Å; R296-V300 PolarHBondContact O-N 3.4Å; V300-V303 HydrophobicContact CB-CG2 4.47Å; V300-V303 HydrophobicContact CG2-CG2 3.66Å
301	I	98.5	Very high	96.8	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.056	24%	0.242	C	C	.	.	S	Bend	trans	-102.1	-49.2	170.7	-64.4	176.4	0	0	0	109.4	V182 N183 N186 L187 L191 G284 F285	V182-I301 CarbonylContact C-O 3.55Å; V182-I301 WeakPolarHBondContact CA-O 3.33Å; N183-I301 PolarHBondContact N-O 3.22Å; N186-I301 HydrophobicContact CB-CG1 4.11Å; L187-I301 HydrophobicContact CB-CG2 4.11Å; L187-I301 HydrophobicContact CD1-CG2 4.29Å; L191-I301 HydrophobicContact CB-CD1 4Å; L191-I301 HydrophobicContact CD2-CD1 3.71Å; L191-I301 HydrophobicContact CG-CD1 4.4Å; G284-I301 WeakPolarHBondContact O-CA 3.49Å; G284-I301 PolarHBondContact O-N 3.28Å; F285-I301 HydrophobicContact CD2-CD1 4.32Å; F285-I301 HydrophobicContact CE1-CG2 4.22Å; F285-I301 HydrophobicContact CE2-CB 4.42Å; F285-I301 HydrophobicContact CE2-CD1 3.79Å; F285-I301 HydrophobicContact CE2-CG2 4.24Å; F285-I301 HydrophobicContact CZ-CD1 4.4Å; F285-I301 HydrophobicContact CZ-CG2 3.97Å
302	T	98.5	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.2	178.2	66.3	0	0	0	0	112.1	M174 I180 F181 V182 G284 F285 N286	M174-T302 HydrophobicContact CE-CG2 3.85Å; I180-T302 HydrophobicContact CG2-CG2 4.1Å; F181-T302 WeakPolarHBondContact O-CA 3.29Å; V182-T302 HydrophobicContact CG2-CG2 4.47Å; G284-T302 PolarHBondContact O-N 3.39Å; G284-T302 VanDerWaalsContact O-N 3.11Å; F285-T302 WeakPolarHBondContact CA-OG1 3.35Å; F285-T302 HydrophobicContact CD1-CG2 3.78Å; F285-T302 HydrophobicContact CE1-CG2 4Å; N286-T302 WeakPolarHBondContact CB-O 3.45Å; N286-T302 PolarHBondContact N-O 3.26Å; N286-T302 VanDerWaalsContact N-O 3.13Å; N286-T302 PolarHBondContact N-OG1 2.92Å; N286-T302 PolarHBondContact ND2-O 3.25Å; N286-T302 VanDerWaalsContact ND2-O 3.11Å
303	V	98.2	Very high	97.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.4	166.9	-174	0	0	0	0	109	I180 F181 M290 Y297 V300 I306	I180-V303 WeakPolarHBondContact CA-O 3.39Å; F181-V303 PolarHBondContact N-O 3.35Å; F181-V303 PolarHBondContact O-N 3Å; F181-V303 VanDerWaalsContact O-N 3.09Å; M290-V303 HydrophobicContact CB-CG1 3.78Å; M290-V303 HydrophobicContact CG-CG1 3.94Å; M290-V303 HydrophobicContact SD-CG1 4.22Å; M290-V303 HydrophobicContact SD-CG2 3.88Å; Y297-V303 HydrophobicContact CD1-CG2 4.19Å; Y297-V303 HydrophobicContact CE1-CB 4.06Å; Y297-V303 HydrophobicContact CE1-CG1 4.36Å; Y297-V303 HydrophobicContact CE1-CG2 3.75Å; Y297-V303 HydrophobicContact CE2-CG2 4.34Å; Y297-V303 WeakPolarHBondContact OH-CG1 3.5Å; V300-V303 HydrophobicContact CB-CG2 4.47Å; V300-V303 HydrophobicContact CG2-CG2 3.66Å; V303-I306 HydrophobicContact CB-CD1 4.39Å; V303-I306 HydrophobicContact CB-CG1 4.48Å; V303-I306 HydrophobicContact CG1-CD1 3.95Å; V303-I306 HydrophobicContact CG1-CG1 4.47Å; V303-I306 WeakPolarHBondContact O-CG1 3.26Å
304	H	98.2	Very high	97.2	Very high	36 Å²	36	50.4 Å²	50.4	17%	0.167	23%	0.226	C	C	.	.	S	Bend	trans	-96	163.4	-175.1	177.3	-143.6	0	0	0	112.9	D179 I180 T239 H287 W288 K289	D179-H304 CarbonylContact O-C 3.58Å; D179-H304 IonicContact OD1-CD2 3.06Å; D179-H304 PolarHBondContact OD1-CD2 3.22Å; D179-H304 IonicContact OD1-NE2 2.61Å; D179-H304 IonicContact OD2-CD2 3.64Å; D179-H304 PolarHBondContact OD2-CD2 3.18Å; D179-H304 IonicContact OD2-NE2 3.63Å; D179-H304 PolarHBondContact OD2-NE2 3.39Å; I180-H304 HydrophobicContact CD1-CB 3.75Å; I180-H304 VanDerWaalsContact CD1-CD2 3.47Å; I180-H304 WeakPolarHBondContact CD1-CD2 3.39Å; T239-H304 HydrophobicContact CG2-CB 4.26Å; H287-H304 PolarHBondContact O-ND1 3.12Å; W288-H304 PolarHBondContact O-N 2.77Å; K289-H304 WeakPolarHBondContact CA-O 3.18Å
305	Q	97.7	Very high	97.3	Very high	110 Å²	110	51.4 Å²	51.4	51%	0.514	23%	0.229	S	C	.	.	S	Bend	trans	60.8	45.8	179.7	-59.3	179.8	-14.5	0	0	113.1	D179 K289	D179-Q305 PolarHBondContact O-N 3.18Å; K289-Q305 HydrophobicContact CB-CB 4.16Å; K289-Q305 HydrophobicContact CD-CB 4.03Å; K289-Q305 VanDerWaalsContact CD-O 3.27Å; K289-Q305 WeakPolarHBondContact CD-O 3.32Å; K289-Q305 WeakPolarHBondContact CE-O 3.39Å; K289-Q305 PolarHBondContact NZ-O 3.4Å
306	I	98.3	Very high	97.4	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	24%	0.238	C	C	.	.			trans	-99.9	118.5	177.7	-54.4	-55.5	0	0	0	109	D179 F181 K289 V303 E310 M311 I314	D179-I306 PolarHBondContact O-N 3.37Å; F181-I306 HydrophobicContact CB-CB 4.32Å; F181-I306 HydrophobicContact CB-CG1 3.8Å; F181-I306 HydrophobicContact CB-CG2 4.21Å; K289-I306 HydrophobicContact CD-CD1 4.22Å; V303-I306 HydrophobicContact CB-CD1 4.39Å; V303-I306 HydrophobicContact CB-CG1 4.48Å; V303-I306 HydrophobicContact CG1-CD1 3.95Å; V303-I306 HydrophobicContact CG1-CG1 4.47Å; V303-I306 WeakPolarHBondContact O-CG1 3.26Å; I306-E310 HydrophobicContact CG2-CB 3.79Å; I306-M311 HydrophobicContact CG2-CB 4.08Å; I306-I314 HydrophobicContact CD1-CD1 4.18Å; I306-I314 HydrophobicContact CG2-CD1 3.88Å
307	S	98.4	Very high	97.5	Very high	38 Å²	38	48.3 Å²	48.3	27%	0.266	22%	0.22	S	C	.	.			trans	-71.3	162.5	174.4	89.1	0	0	0	0	111.9	E309 E310 M311	S307-E309 VanDerWaalsContact C-N 3.3Å; S307-E309 WeakPolarHBondContact CB-OE2 3.19Å; S307-E309 PolarHBondContact O-N 2.99Å; S307-E309 PolarHBondContact OG-N 3.43Å; S307-E309 PolarHBondContact OG-OE2 3.42Å; S307-E310 PolarHBondContact N-OE2 2.93Å; S307-E310 VanDerWaalsContact N-OE2 3.07Å; S307-E310 PolarHBondContact O-N 3.39Å; S307-E310 WeakPolarHBondContact OG-CG 3.44Å; S307-E310 PolarHBondContact OG-N 2.94Å; S307-M311 WeakPolarHBondContact O-CB 3.32Å; S307-M311 PolarHBondContact O-N 2.79Å
308	P	98.7	Very high	97.4	Very high	32 Å²	32	49.4 Å²	49.4	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-51.7	-45.8	173.6	-28.2	37.1	0	0	0	113.2	D92 A93 A96 E310 M311 H312	D92-P308 HydrophobicContact CB-CG 4.25Å; A93-P308 HydrophobicContact CB-CG 4.24Å; A96-P308 HydrophobicContact CB-CB 3.78Å; P308-E310 PolarHBondContact O-N 3.31Å; P308-M311 VanDerWaalsContact O-CB 3.29Å; P308-M311 WeakPolarHBondContact O-CB 3.32Å; P308-M311 PolarHBondContact O-N 2.76Å; P308-H312 PolarHBondContact O-CD2 3.35Å; P308-H312 PolarHBondContact O-N 2.77Å; P308-H312 VanDerWaalsContact O-N 3.11Å
309	E	98.5	Very high	97.4	Very high	129 Å²	129	49.1 Å²	49.1	60%	0.603	23%	0.231	S	C	*	.	H	α-helix	trans	-65.5	-41.5	180	-54.1	75.3	-163.9	0	0	111.6	S307 M311 H312 R313	S307-E309 VanDerWaalsContact C-N 3.3Å; S307-E309 WeakPolarHBondContact CB-OE2 3.19Å; S307-E309 PolarHBondContact O-N 2.99Å; S307-E309 PolarHBondContact OG-N 3.43Å; S307-E309 PolarHBondContact OG-OE2 3.42Å; E309-M311 VanDerWaalsContact C-N 3.3Å; E309-M311 PolarHBondContact O-N 3.29Å; E309-H312 PolarHBondContact O-N 2.81Å; E309-R313 WeakPolarHBondContact O-CB 3.4Å; E309-R313 PolarHBondContact O-N 2.91Å
310	E	98.2	Very high	97.3	Very high	46 Å²	46	44 Å²	44	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-38.9	174.8	-66	-172.7	104.1	0	0	111.4	K289 I306 S307 P308 R313 I314	K289-E310 IonicContact NZ-OE1 3.79Å; K289-E310 PolarHBondContact NZ-OE1 2.9Å; K289-E310 IonicContact NZ-OE2 3.88Å; K289-E310 PolarHBondContact NZ-OE2 3.4Å; I306-E310 HydrophobicContact CG2-CB 3.79Å; S307-E310 PolarHBondContact N-OE2 2.93Å; S307-E310 VanDerWaalsContact N-OE2 3.07Å; S307-E310 PolarHBondContact O-N 3.39Å; S307-E310 WeakPolarHBondContact OG-CG 3.44Å; S307-E310 PolarHBondContact OG-N 2.94Å; P308-E310 PolarHBondContact O-N 3.31Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-R313 IonicContact OE1-NH2 3.98Å; E310-R313 PolarHBondContact OE1-NH2 3.36Å; E310-I314 HydrophobicContact CB-CD1 4.33Å; E310-I314 WeakPolarHBondContact O-CB 2.91Å; E310-I314 WeakPolarHBondContact O-CD1 3.38Å; E310-I314 WeakPolarHBondContact O-CG1 3.35Å; E310-I314 PolarHBondContact O-N 3.26Å
311	M	98.4	Very high	97.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-48.7	178.7	-160.7	178.2	-71.3	0	0	111	A96 I97 T100 W101 F181 I306 S307 P308 E309 I314 W315	A96-M311 HydrophobicContact CB-SD 4.14Å; I97-M311 HydrophobicContact CB-SD 4.38Å; I97-M311 HydrophobicContact CD1-CE 4.43Å; I97-M311 HydrophobicContact CG1-CE 3.81Å; I97-M311 HydrophobicContact CG1-SD 3.53Å; I97-M311 VanDerWaalsContact CG1-SD 3.53Å; T100-M311 HydrophobicContact CG2-CG 4.47Å; T100-M311 WeakPolarHBondContact OG1-CG 3.41Å; T100-M311 PolarHBondContact OG1-SD 2.85Å; W101-M311 VanDerWaalsContact CD1-SD 3.57Å; W101-M311 PolarHBondContact NE1-SD 2.97Å; F181-M311 HydrophobicContact CD2-CG 4.13Å; I306-M311 HydrophobicContact CG2-CB 4.08Å; S307-M311 WeakPolarHBondContact O-CB 3.32Å; S307-M311 PolarHBondContact O-N 2.79Å; P308-M311 VanDerWaalsContact O-CB 3.29Å; P308-M311 WeakPolarHBondContact O-CB 3.32Å; P308-M311 PolarHBondContact O-N 2.76Å; E309-M311 VanDerWaalsContact C-N 3.3Å; E309-M311 PolarHBondContact O-N 3.29Å; M311-I314 PolarHBondContact O-N 3.31Å; M311-W315 WeakPolarHBondContact O-CB 3.35Å; M311-W315 PolarHBondContact O-N 3.04Å
312	H	98.5	Very high	96.6	Very high	55 Å²	55	52.8 Å²	52.8	26%	0.255	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-46.6	173.8	-71.5	-68.8	0	0	0	112.3	A96 E99 P308 E309 I314 W315 N316	A96-H312 WeakPolarHBondContact CB-NE2 3.42Å; E99-H312 IonicContact OE2-CE1 2.83Å; E99-H312 PolarHBondContact OE2-CE1 2.88Å; E99-H312 IonicContact OE2-NE2 3.43Å; P308-H312 PolarHBondContact O-CD2 3.35Å; P308-H312 PolarHBondContact O-N 2.77Å; P308-H312 VanDerWaalsContact O-N 3.11Å; E309-H312 PolarHBondContact O-N 2.81Å; H312-I314 PolarHBondContact O-N 2.97Å; H312-W315 PolarHBondContact O-N 3.42Å; H312-N316 VanDerWaalsContact O-CB 3.28Å; H312-N316 WeakPolarHBondContact O-CB 3.47Å; H312-N316 PolarHBondContact O-N 3.42Å; H312-N316 PolarHBondContact O-ND2 3.4Å
313	R	97.9	Very high	96.1	Very high	138 Å²	138	59.8 Å²	59.8	52%	0.521	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-47.7	179.6	-179.3	179.5	59.4	-179.6	-2.4	111.6	E309 E310 D317	E309-R313 WeakPolarHBondContact O-CB 3.4Å; E309-R313 PolarHBondContact O-N 2.91Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-R313 IonicContact OE1-NH2 3.98Å; E310-R313 PolarHBondContact OE1-NH2 3.36Å; R313-D317 VanDerWaalsContact O-CB 3.29Å; R313-D317 WeakPolarHBondContact O-CB 3.28Å; R313-D317 PolarHBondContact O-N 3.17Å
314	I	97.7	Very high	95.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-47.8	178.8	-68.6	161.9	0	0	0	110	F181 Y292 Y297 I306 E310 M311 H312 D317 M318	F181-I314 HydrophobicContact CD1-CG2 4.01Å; F181-I314 HydrophobicContact CD2-CB 4.27Å; F181-I314 HydrophobicContact CD2-CG2 3.77Å; F181-I314 HydrophobicContact CE1-CG2 3.73Å; F181-I314 HydrophobicContact CE2-CB 4.16Å; F181-I314 HydrophobicContact CE2-CG2 3.48Å; F181-I314 VanDerWaalsContact CE2-CG2 3.48Å; F181-I314 HydrophobicContact CG-CG2 4.03Å; F181-I314 HydrophobicContact CZ-CG2 3.46Å; F181-I314 VanDerWaalsContact CZ-CG2 3.46Å; Y292-I314 HydrophobicContact CD2-CB 4.44Å; Y292-I314 HydrophobicContact CD2-CD1 4.31Å; Y292-I314 HydrophobicContact CD2-CG1 3.61Å; Y292-I314 HydrophobicContact CD2-CG2 4.29Å; Y292-I314 HydrophobicContact CE2-CB 4.14Å; Y292-I314 HydrophobicContact CE2-CG1 3.8Å; Y292-I314 HydrophobicContact CE2-CG2 3.78Å; Y292-I314 HydrophobicContact CG-CG1 4.22Å; Y297-I314 HydrophobicContact CD1-CD1 4.49Å; Y297-I314 HydrophobicContact CD1-CG2 3.8Å; Y297-I314 HydrophobicContact CE1-CD1 3.75Å; Y297-I314 HydrophobicContact CE1-CG1 4.34Å; Y297-I314 HydrophobicContact CE1-CG2 4.14Å; I306-I314 HydrophobicContact CD1-CD1 4.18Å; I306-I314 HydrophobicContact CG2-CD1 3.88Å; E310-I314 HydrophobicContact CB-CD1 4.33Å; E310-I314 WeakPolarHBondContact O-CB 2.91Å; E310-I314 WeakPolarHBondContact O-CD1 3.38Å; E310-I314 WeakPolarHBondContact O-CG1 3.35Å; E310-I314 PolarHBondContact O-N 3.26Å; M311-I314 PolarHBondContact O-N 3.31Å; H312-I314 PolarHBondContact O-N 2.97Å; I314-D317 PolarHBondContact O-N 2.91Å; I314-M318 HydrophobicContact CG2-CG 4.38Å; I314-M318 HydrophobicContact CG2-SD 3.8Å; I314-M318 WeakPolarHBondContact O-CB 3.25Å; I314-M318 VanDerWaalsContact O-CG 3.28Å; I314-M318 WeakPolarHBondContact O-CG 3.35Å; I314-M318 PolarHBondContact O-N 2.78Å
315	W	97.2	Very high	95.1	Very high	44 Å²	44	73.1 Å²	73.1	17%	0.167	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-48.3	-179.4	179.1	-104.6	0	0	0	112.4	T100 W101 N106 F181 M311 H312 M318 S319	T100-W315 HydrophobicContact CG2-CB 3.66Å; T100-W315 HydrophobicContact CG2-CG 3.75Å; W101-W315 HydrophobicContact CB-CE3 4.12Å; W101-W315 HydrophobicContact CB-CZ3 4.01Å; N106-W315 WeakPolarHBondContact ND2-CZ2 3.45Å; F181-W315 HydrophobicContact CE2-CB 4.44Å; F181-W315 HydrophobicContact CE2-CE3 4.36Å; F181-W315 HydrophobicContact CZ-CE3 4.47Å; M311-W315 WeakPolarHBondContact O-CB 3.35Å; M311-W315 PolarHBondContact O-N 3.04Å; H312-W315 PolarHBondContact O-N 3.42Å; W315-M318 PolarHBondContact O-N 3.39Å; W315-S319 WeakPolarHBondContact O-CB 3.47Å; W315-S319 PolarHBondContact O-N 3.3Å; W315-S319 PolarHBondContact O-OG 3.2Å
316	N	96.6	Very high	94.7	Very high	96 Å²	96	72.1 Å²	72.1	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-42.1	179	-71.1	-21	0	0	0	111.5	H312 S319 S320	H312-N316 VanDerWaalsContact O-CB 3.28Å; H312-N316 WeakPolarHBondContact O-CB 3.47Å; H312-N316 PolarHBondContact O-N 3.42Å; H312-N316 PolarHBondContact O-ND2 3.4Å; N316-S319 PolarHBondContact O-N 2.63Å; N316-S320 VanDerWaalsContact O-CB 3.31Å; N316-S320 WeakPolarHBondContact O-CB 3.26Å; N316-S320 PolarHBondContact O-N 3.15Å; N316-S320 PolarHBondContact O-OG 3.36Å
317	D	96.1	Very high	94.5	Very high	33 Å²	33	75.6 Å²	75.6	18%	0.176	37%	0.368	C	S	.	.	H	α-helix	trans	-66.9	-44.9	178.4	-160.2	55.4	0	0	0	111.5	Y292 R313 I314 S319 S320 K321	Y292-D317 HydrophobicContact CE1-CB 4.36Å; Y292-D317 WeakPolarHBondContact CE1-OD2 3.19Å; Y292-D317 WeakPolarHBondContact OH-CB 3.22Å; Y292-D317 PolarHBondContact OH-OD2 3.24Å; R313-D317 VanDerWaalsContact O-CB 3.29Å; R313-D317 WeakPolarHBondContact O-CB 3.28Å; R313-D317 PolarHBondContact O-N 3.17Å; I314-D317 PolarHBondContact O-N 2.91Å; D317-S319 VanDerWaalsContact C-N 3.33Å; D317-S319 PolarHBondContact O-N 2.97Å; D317-S320 PolarHBondContact O-OG 2.87Å; D317-K321 VanDerWaalsContact O-CB 3.27Å; D317-K321 WeakPolarHBondContact O-CB 3.43Å; D317-K321 PolarHBondContact O-N 2.8Å; D317-K321 VanDerWaalsContact O-N 3.09Å; D317-K321 VanDerWaalsContact OD1-CD 3.25Å; D317-K321 WeakPolarHBondContact OD1-CD 3.41Å; D317-K321 WeakPolarHBondContact OD1-CE 3.47Å; D317-K321 IonicContact OD1-NZ 2.62Å; D317-K321 PolarHBondContact OD1-NZ 3.06Å; D317-K321 IonicContact OD2-NZ 3.53Å
318	M	94.6	Very high	94.3	Very high	24 Å²	24	77.6 Å²	77.6	12%	0.118	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-36.7	176.9	-74.5	-176.6	65.3	0	0	112.7	F181 N183 L294 R298 I314 W315 K322	F181-M318 HydrophobicContact CE1-CE 4.36Å; F181-M318 HydrophobicContact CE1-SD 3.65Å; F181-M318 HydrophobicContact CZ-CE 4.49Å; F181-M318 HydrophobicContact CZ-SD 3.63Å; N183-M318 WeakPolarHBondContact ND2-CE 3.39Å; L294-M318 HydrophobicContact CD1-CB 4.44Å; L294-M318 HydrophobicContact CD1-CG 3.91Å; R298-M318 HydrophobicContact CG-CE 4.44Å; I314-M318 HydrophobicContact CG2-CG 4.38Å; I314-M318 HydrophobicContact CG2-SD 3.8Å; I314-M318 WeakPolarHBondContact O-CB 3.25Å; I314-M318 VanDerWaalsContact O-CG 3.28Å; I314-M318 WeakPolarHBondContact O-CG 3.35Å; I314-M318 PolarHBondContact O-N 2.78Å; W315-M318 PolarHBondContact O-N 3.39Å; M318-K322 VanDerWaalsContact O-CG 3.26Å; M318-K322 WeakPolarHBondContact O-CG 3.37Å
319	S	92.4	Very high	94	Very high	42 Å²	42	80.1 Å²	80.1	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-75.4	-43.5	-179	-64.2	0	0	0	0	112.8	W315 N316 D317 K322	W315-S319 WeakPolarHBondContact O-CB 3.47Å; W315-S319 PolarHBondContact O-N 3.3Å; W315-S319 PolarHBondContact O-OG 3.2Å; N316-S319 PolarHBondContact O-N 2.63Å; D317-S319 VanDerWaalsContact C-N 3.33Å; D317-S319 PolarHBondContact O-N 2.97Å; S319-K322 WeakPolarHBondContact O-CG 3.42Å
320	S	94	Very high	93.8	Very high	75 Å²	75	77.2 Å²	77.2	52%	0.524	37%	0.369	S	S	.	.	H	α-helix	trans	-72.2	-33.6	179.9	58.4	0	0	0	0	112.9	N316 D317 H323	N316-S320 VanDerWaalsContact O-CB 3.31Å; N316-S320 WeakPolarHBondContact O-CB 3.26Å; N316-S320 PolarHBondContact O-N 3.15Å; N316-S320 PolarHBondContact O-OG 3.36Å; D317-S320 PolarHBondContact O-OG 2.87Å; S320-H323 PolarHBondContact O-CE1 3.37Å; S320-H323 PolarHBondContact O-ND1 3.34Å
321	K	93.4	Very high	93.5	Very high	76 Å²	76	79.2 Å²	79.2	33%	0.33	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	14	-174.2	-64.6	177.7	-180	166.2	0	114.5	L294 R298 D317 H323 L324	L294-K321 HydrophobicContact CD1-CB 4.49Å; L294-K321 HydrophobicContact CD2-CB 3.67Å; L294-K321 HydrophobicContact CD2-CD 3.96Å; L294-K321 HydrophobicContact CD2-CG 4.46Å; R298-K321 VanDerWaalsContact NH2-C 3.27Å; R298-K321 PolarHBondContact NH2-O 3.07Å; D317-K321 VanDerWaalsContact O-CB 3.27Å; D317-K321 WeakPolarHBondContact O-CB 3.43Å; D317-K321 PolarHBondContact O-N 2.8Å; D317-K321 VanDerWaalsContact O-N 3.09Å; D317-K321 VanDerWaalsContact OD1-CD 3.25Å; D317-K321 WeakPolarHBondContact OD1-CD 3.41Å; D317-K321 WeakPolarHBondContact OD1-CE 3.47Å; D317-K321 IonicContact OD1-NZ 2.62Å; D317-K321 PolarHBondContact OD1-NZ 3.06Å; D317-K321 IonicContact OD2-NZ 3.53Å; K321-H323 PolarHBondContact O-N 3.1Å; K321-L324 HydrophobicContact CB-CD1 3.82Å; K321-L324 HydrophobicContact CB-CG 4.16Å; K321-L324 HydrophobicContact CD-CD1 3.89Å; K321-L324 HydrophobicContact CG-CD1 3.9Å; K321-L324 WeakPolarHBondContact O-CB 3.3Å; K321-L324 PolarHBondContact O-N 3.38Å
322	K	87.6	Confident	93.2	Very high	131 Å²	131	84.4 Å²	84.4	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-30.6	-178.3	-73.7	-171.7	-175.1	-164.2	0	114.3	D185 M318 S319	D185-K322 IonicContact OD2-NZ 2.74Å; M318-K322 VanDerWaalsContact O-CG 3.26Å; M318-K322 WeakPolarHBondContact O-CG 3.37Å; S319-K322 WeakPolarHBondContact O-CG 3.42Å
323	H	88.6	Confident	92.8	Very high	147 Å²	147	86.5 Å²	86.5	68%	0.681	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.6	179.2	62.4	-84.6	0	0	0	115	S320 K321	S320-H323 PolarHBondContact O-CE1 3.37Å; S320-H323 PolarHBondContact O-ND1 3.34Å; K321-H323 PolarHBondContact O-N 3.1Å
324	L	88.8	Confident	92.4	Very high	79 Å²	79	82.5 Å²	82.5	41%	0.414	41%	0.406	S	S	.	.	S	Bend	trans	-71.6	148	179.7	-61.8	-176.5	0	0	0	111.3	L294 R298 K321	L294-L324 HydrophobicContact CD2-CB 4.49Å; L294-L324 HydrophobicContact CD2-CD1 4.29Å; R298-L324 PolarHBondContact NH1-O 3.19Å; K321-L324 HydrophobicContact CB-CD1 3.82Å; K321-L324 HydrophobicContact CB-CG 4.16Å; K321-L324 HydrophobicContact CD-CD1 3.89Å; K321-L324 HydrophobicContact CG-CD1 3.9Å; K321-L324 WeakPolarHBondContact O-CB 3.3Å; K321-L324 PolarHBondContact O-N 3.38Å
325	R	86.8	Confident	91.9	Very high	237 Å²	237	89.4 Å²	89.4	89%	0.894	44%	0.44	S	S	*	.			trans	-90.7	157.9	174.4	-68	-174.1	-178	-177.1	1.3	112.4
326	C	87.3	Confident	91.5	Very high	89 Å²	89	93.5 Å²	93.5	60%	0.601	47%	0.465	S	S	*	.			trans	-132.8	0	169.4	-66.7	0	0	0	0	107.6	C295 R299	C295-C326 WeakPolarHBondContact CA-SG 3.42Å; C295-C326 HydrophobicContact CB-CB 3.57Å; C295-C326 WeakPolarHBondContact CB-SG 3.41Å; C295-C326 VanDerWaalsContact SG-CA 3.51Å; C295-C326 WeakPolarHBondContact SG-CB 3.14Å; C295-C326 CovalentContact SG-SG 2.04Å; C295-C326 PolarHBondContact SG-SG 2.99Å; R299-C326 PolarHBondContact NH2-O 3.46Å

Retrieved 326 of 326 residues in 649.4 ms (Link to these results)

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