A0A077ZEZ5_TRITR Loading...

Eukaryotic translation initiation factor 3 subunit D

mRNA cap-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. In the eIF-3 complex, eif3d specifically recognizes and binds the 7-methylguanosine cap of a subset of mRNAs.

AlphaFold DB , UniProt , Accession A0A077ZEZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 631 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	38.9	Very low	46.8	Very low	238 Å²	238	156.6 Å²	156.6	100%	1.172	87%	0.87	S	S	*	*				0	121.6	0	-84.7	168.8	133.9	0	0	106.5
2	S	43.8	Very low	46.6	Very low	113 Å²	113	158.1 Å²	158.1	79%	0.79	86%	0.861	S	S	*	*			trans	47.6	102.6	172.6	50	0	0	0	0	118.6
3	N	39.9	Very low	46.1	Very low	166 Å²	166	154.7 Å²	154.7	89%	0.888	85%	0.852	S	S	*	*			trans	-65.1	134	153.9	-71.1	-16.3	0	0	0	109.3
4	E	47	Very low	46.1	Very low	187 Å²	187	155 Å²	155	87%	0.874	85%	0.849	S	S	*	*			trans	-121	111.1	160.1	-78.9	-178.1	161.5	0	0	107.4
5	E	47	Very low	45.6	Very low	188 Å²	188	156.1 Å²	156.1	88%	0.879	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82.3	130.8	166.9	-75.4	176.7	157.2	0	0	108.8
6	P	59.1	Low	45.1	Very low	128 Å²	128	156 Å²	156	83%	0.831	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-84.8	124.2	165.5	30	-25.5	0	0	0	109.8
7	G	44	Very low	44.7	Very low	74 Å²	74	157.5 Å²	157.5	76%	0.763	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-68.3	153	-174	0	0	0	0	0	115.9
8	D	44.5	Very low	44.2	Very low	163 Å²	163	158.2 Å²	158.2	87%	0.872	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.6	171.5	-86	-39.2	0	0	0	112.1
9	P	58.1	Low	43.9	Very low	118 Å²	118	158.1 Å²	158.1	77%	0.766	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-79.1	128	161.4	30.3	-27.4	0	0	0	110	D11	P9-D11 PolarHBondContact O-N 3.48Å
10	E	45.1	Very low	43.6	Very low	181 Å²	181	155.2 Å²	155.2	85%	0.846	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-47.3	118.8	176.9	-66.3	175.8	147.9	0	0	113.1	K12	E10-K12 PolarHBondContact O-N 3.13Å; E10-K12 VanDerWaalsContact O-N 3.12Å
11	D	47.4	Very low	43.3	Very low	167 Å²	167	150.7 Å²	150.7	89%	0.893	83%	0.83	S	S	*	*			trans	-68.7	100.6	169.3	-129.4	-6	0	0	0	108.7	P9	P9-D11 PolarHBondContact O-N 3.48Å
12	K	44.7	Very low	43.3	Very low	174 Å²	174	145.9 Å²	145.9	76%	0.757	82%	0.818	S	S	*	*			trans	-71.7	133.8	169.2	-77.5	-176	179.2	179.3	0	108.8	E10 I14	E10-K12 PolarHBondContact O-N 3.13Å; E10-K12 VanDerWaalsContact O-N 3.12Å; K12-I14 PolarHBondContact O-N 3.1Å
13	P	40.4	Very low	43.8	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	82%	0.816	S	S	*	*			trans	-63.9	124.5	176.2	27.1	-31	0	0	0	108.5	E15	P13-E15 PolarHBondContact O-N 3.49Å
14	I	45.6	Very low	44.9	Very low	159 Å²	159	146.3 Å²	146.3	82%	0.815	82%	0.815	S	S	*	*			trans	-64.7	103	165.5	-64.9	165.7	0	0	0	105.8	K12 N16	K12-I14 PolarHBondContact O-N 3.1Å; I14-N16 PolarHBondContact O-N 3.1Å; I14-N16 VanDerWaalsContact O-N 3.11Å
15	E	38	Very low	45.6	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	82%	0.815	S	S	*	*			trans	-56.5	115	170.6	-73	-179.2	159.5	0	0	108	P13 E17	P13-E15 PolarHBondContact O-N 3.49Å; E15-E17 VanDerWaalsContact C-N 3.28Å; E15-E17 PolarHBondContact O-N 3.41Å
16	N	38.3	Very low	46.9	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	79%	0.793	S	S	*	*			trans	-60.9	97.3	162.1	-82.1	-35.6	0	0	0	107	I14 Q18	I14-N16 PolarHBondContact O-N 3.1Å; I14-N16 VanDerWaalsContact O-N 3.11Å; N16-Q18 PolarHBondContact O-N 2.93Å
17	E	38.5	Very low	47.9	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	77%	0.772	S	S	*	*			trans	-54.4	110.1	164.9	-96.2	-173.7	152.5	0	0	107.6	E15 V19	E15-E17 VanDerWaalsContact C-N 3.28Å; E15-E17 PolarHBondContact O-N 3.41Å; E17-V19 PolarHBondContact O-N 3.31Å
18	Q	35.1	Very low	49.7	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	77%	0.768	S	S	*	*			trans	-53.1	115.6	167.9	-69.5	-177.9	-21.4	0	0	107.6	N16 S20	N16-Q18 PolarHBondContact O-N 2.93Å; Q18-S20 PolarHBondContact O-N 3.34Å
19	V	38.8	Very low	51.5	Low	156 Å²	156	139.5 Å²	139.5	95%	0.945	76%	0.759	S	S	*	*	S	Bend	trans	-68.9	76.8	167.3	-177.3	0	0	0	0	107.3	E17	E17-V19 PolarHBondContact O-N 3.31Å
20	S	37.6	Very low	52.7	Low	100 Å²	100	138.3 Å²	138.3	70%	0.699	74%	0.743	S	S	*	*			trans	-152	43.2	171.6	61.3	0	0	0	0	109.4	Q18	Q18-S20 PolarHBondContact O-N 3.34Å
21	G	38.8	Very low	54.2	Low	61 Å²	61	133.9 Å²	133.9	63%	0.629	73%	0.725	S	S	*	*	S	Bend	trans	-134.8	127.4	175.3	0	0	0	0	0	109.3	A23	G21-A23 PolarHBondContact O-N 3.04Å
22	C	38.7	Very low	55.7	Low	138 Å²	138	130.7 Å²	130.7	93%	0.932	71%	0.707	S	S	*	*			trans	-57.9	88.6	167.9	-166.2	0	0	0	0	108	K24	C22-K24 PolarHBondContact O-N 3.01Å
23	A	52.7	Low	57.3	Low	89 Å²	89	126.9 Å²	126.9	74%	0.736	70%	0.702	S	S	*	*			trans	-63.2	110.4	-178.5	0	0	0	0	0	107.6	G21 R25	G21-A23 PolarHBondContact O-N 3.04Å; A23-R25 PolarHBondContact O-N 3.09Å; A23-R25 VanDerWaalsContact O-N 3.1Å
24	K	63.5	Low	59.1	Low	199 Å²	199	130.5 Å²	130.5	87%	0.865	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-49.7	121.2	173.3	-81.6	178	175.8	175.4	0	107.6	C22	C22-K24 PolarHBondContact O-N 3.01Å
25	R	61.7	Low	60.9	Low	235 Å²	235	128.6 Å²	128.6	89%	0.887	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-52.1	129	171.4	-73	-178.8	176.5	-175.9	-1.8	107.5	A23 S27	A23-R25 PolarHBondContact O-N 3.09Å; A23-R25 VanDerWaalsContact O-N 3.1Å; R25-S27 PolarHBondContact O-N 2.98Å
26	P	75.1	Confident	62.8	Low	62 Å²	62	129.3 Å²	129.3	40%	0.403	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-55.5	143.5	179.1	22.5	-32.1	0	0	0	109.4	E30 L31	P26-E30 HydrophobicContact CB-CB 4.44Å; P26-L31 HydrophobicContact CB-CG 4.34Å; P26-L31 HydrophobicContact CG-CD1 4.05Å; P26-L31 HydrophobicContact CG-CD2 4.39Å; P26-L31 HydrophobicContact CG-CG 4.04Å
27	S	80.1	Confident	64.8	Low	56 Å²	56	127.8 Å²	127.8	39%	0.392	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-61.9	150.8	176.3	63.8	0	0	0	0	110	R25 V29 E30 L31	R25-S27 PolarHBondContact O-N 2.98Å; S27-V29 PolarHBondContact O-N 3.25Å; S27-V29 VanDerWaalsContact O-N 3.13Å; S27-E30 PolarHBondContact N-OE2 3.13Å; S27-E30 PolarHBondContact O-N 3.44Å; S27-E30 WeakPolarHBondContact OG-CG 3.35Å; S27-E30 PolarHBondContact OG-N 3.19Å; S27-E30 PolarHBondContact OG-OE2 3Å; S27-L31 PolarHBondContact O-N 3.17Å; S27-L31 VanDerWaalsContact O-N 3.09Å
28	L	80.8	Confident	67	Low	130 Å²	130	121.5 Å²	121.5	68%	0.681	66%	0.655	S	S	*	*	H	α-helix	trans	-53.6	-35.2	176.2	-168.9	98.2	0	0	0	111.2	L31 I32	L28-L31 PolarHBondContact O-N 2.74Å; L28-I32 HydrophobicContact CD2-CD1 3.73Å; L28-I32 HydrophobicContact CG-CD1 3.94Å; L28-I32 HydrophobicContact CG-CG1 4.5Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.48Å
29	V	83.7	Confident	69.4	Low	113 Å²	113	122.1 Å²	122.1	69%	0.685	66%	0.657	S	S	*	*	H	α-helix	trans	-63.1	-44.4	178	-178.4	0	0	0	0	111.6	S27 L31 I32 S33	S27-V29 PolarHBondContact O-N 3.25Å; S27-V29 VanDerWaalsContact O-N 3.13Å; V29-L31 VanDerWaalsContact C-N 3.35Å; V29-I32 PolarHBondContact O-N 2.71Å; V29-S33 PolarHBondContact O-N 3.42Å; V29-S33 VanDerWaalsContact O-N 3.1Å
30	E	81.8	Confident	71.7	Confident	94 Å²	94	122.3 Å²	122.3	44%	0.439	65%	0.653	S	S	.	*	H	α-helix	trans	-66.3	-37.8	176	-74.8	168	137.4	0	0	111.9	P26 S27 S33 R34	P26-E30 HydrophobicContact CB-CB 4.44Å; S27-E30 PolarHBondContact N-OE2 3.13Å; S27-E30 PolarHBondContact O-N 3.44Å; S27-E30 WeakPolarHBondContact OG-CG 3.35Å; S27-E30 PolarHBondContact OG-N 3.19Å; S27-E30 PolarHBondContact OG-OE2 3Å; E30-S33 PolarHBondContact O-N 2.95Å; E30-S33 PolarHBondContact O-OG 3.06Å; E30-R34 WeakPolarHBondContact O-CG 3.25Å; E30-R34 PolarHBondContact O-N 3.21Å
31	L	76	Confident	73.9	Confident	87 Å²	87	118.9 Å²	118.9	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-63.9	-44.1	176	-84.5	159	0	0	0	111.5	P26 S27 L28 V29 S33 R34	P26-L31 HydrophobicContact CB-CG 4.34Å; P26-L31 HydrophobicContact CG-CD1 4.05Å; P26-L31 HydrophobicContact CG-CD2 4.39Å; P26-L31 HydrophobicContact CG-CG 4.04Å; S27-L31 PolarHBondContact O-N 3.17Å; S27-L31 VanDerWaalsContact O-N 3.09Å; L28-L31 PolarHBondContact O-N 2.74Å; V29-L31 VanDerWaalsContact C-N 3.35Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 2.77Å; L31-R34 PolarHBondContact O-N 3.16Å
32	I	79.5	Confident	76.1	Confident	101 Å²	101	128.8 Å²	128.8	52%	0.518	65%	0.653	S	S	.	*	H	α-helix	trans	-62.9	-40.3	178.2	-69	165.6	0	0	0	110.9	L28 V29 R34 I35	L28-I32 HydrophobicContact CD2-CD1 3.73Å; L28-I32 HydrophobicContact CG-CD1 3.94Å; L28-I32 HydrophobicContact CG-CG1 4.5Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.48Å; V29-I32 PolarHBondContact O-N 2.71Å; I32-R34 PolarHBondContact O-N 3.34Å; I32-R34 VanDerWaalsContact O-N 3.13Å; I32-I35 PolarHBondContact O-N 2.98Å
33	S	78.9	Confident	78.3	Confident	94 Å²	94	124.1 Å²	124.1	66%	0.657	63%	0.627	S	S	*	*	H	α-helix	trans	-64.5	-16.6	178.1	67.2	0	0	0	0	114.8	V29 E30 L31	V29-S33 PolarHBondContact O-N 3.42Å; V29-S33 VanDerWaalsContact O-N 3.1Å; E30-S33 PolarHBondContact O-N 2.95Å; E30-S33 PolarHBondContact O-OG 3.06Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 2.77Å
34	R	79	Confident	79.8	Confident	190 Å²	190	125.9 Å²	125.9	72%	0.717	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-11.6	179.5	-69.6	177.3	-177.1	-171.8	2.1	113.2	E30 L31 I32 R36	E30-R34 WeakPolarHBondContact O-CG 3.25Å; E30-R34 PolarHBondContact O-N 3.21Å; L31-R34 PolarHBondContact O-N 3.16Å; I32-R34 PolarHBondContact O-N 3.34Å; I32-R34 VanDerWaalsContact O-N 3.13Å; R34-R36 PolarHBondContact O-N 2.87Å
35	I	81.5	Confident	80.7	Confident	118 Å²	118	120.6 Å²	120.6	61%	0.605	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-72.6	123.3	179.1	-64.2	174.2	0	0	0	109	I32	I32-I35 PolarHBondContact O-N 2.98Å
36	R	78.5	Confident	81.6	Confident	188 Å²	188	112.5 Å²	112.5	71%	0.709	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-83.9	124.1	171.6	-66.2	-101	-174.8	173.9	2.2	108.2	R34	R34-R36 PolarHBondContact O-N 2.87Å
37	V	79.8	Confident	82	Confident	121 Å²	121	114.6 Å²	114.6	73%	0.733	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-88.9	126.3	176	-177.9	0	0	0	0	108.8
38	N	84.9	Confident	82.2	Confident	50 Å²	50	115.9 Å²	115.9	27%	0.267	60%	0.604	S	S	.	*			trans	-99.6	112.9	171.7	-174.2	-7.4	0	0	0	108.5	N40 G41 G43 V45	N38-N40 VanDerWaalsContact C-N 3.33Å; N38-N40 PolarHBondContact OD1-N 3.48Å; N38-N40 VanDerWaalsContact OD1-N 3.16Å; N38-G41 VanDerWaalsContact CB-O 3.26Å; N38-G41 WeakPolarHBondContact CB-O 3.49Å; N38-G41 VanDerWaalsContact CG-O 3.3Å; N38-G41 VanDerWaalsContact O-O 3.09Å; N38-G41 PolarHBondContact OD1-N 3.4Å; N38-G43 PolarHBondContact ND2-O 3.27Å; N38-V45 HydrophobicContact CB-CG2 3.37Å
39	E	86.3	Confident	82.4	Confident	182 Å²	182	113.2 Å²	113.2	85%	0.85	60%	0.601	S	S	*	*	S	Bend	trans	-73.2	-26.1	-178.1	-64.4	-177	168.4	0	0	112.8
40	N	87.1	Confident	82.4	Confident	160 Å²	160	114.1 Å²	114.1	86%	0.856	60%	0.602	S	S	*	*	S	Bend	trans	-110	8.4	-170.7	-66.1	-24	0	0	0	113.7	N38	N38-N40 VanDerWaalsContact C-N 3.33Å; N38-N40 PolarHBondContact OD1-N 3.48Å; N38-N40 VanDerWaalsContact OD1-N 3.16Å
41	G	84.4	Confident	82.7	Confident	29 Å²	29	115.2 Å²	115.2	30%	0.299	61%	0.605	S	S	.	*			trans	178	-174.4	-179.7	0	0	0	0	0	112.6	N38	N38-G41 VanDerWaalsContact CB-O 3.26Å; N38-G41 WeakPolarHBondContact CB-O 3.49Å; N38-G41 VanDerWaalsContact CG-O 3.3Å; N38-G41 VanDerWaalsContact O-O 3.09Å; N38-G41 PolarHBondContact OD1-N 3.4Å
42	W	84.2	Confident	83.1	Confident	269 Å²	269	118.9 Å²	118.9	100%	1.019	61%	0.613	S	S	*	*	S	Bend	trans	-104.1	-0.2	-179.5	-66.7	-74.2	0	0	0	113.9
43	G	85.6	Confident	83.5	Confident	39 Å²	39	119 Å²	119	40%	0.402	62%	0.623	S	S	.	*	S	Bend	trans	-93.5	177.8	-174.7	0	0	0	0	0	115.4	N38 V45	N38-G43 PolarHBondContact ND2-O 3.27Å; G43-V45 PolarHBondContact O-N 3.36Å
44	P	83.1	Confident	83.9	Confident	127 Å²	127	119 Å²	119	83%	0.825	62%	0.615	S	S	*	*			trans	-62.7	132.1	175.2	27.1	-33.7	0	0	0	111.1
45	V	81.8	Confident	84.4	Confident	87 Å²	87	113.2 Å²	113.2	53%	0.527	60%	0.602	S	S	.	*			trans	-83.6	-35.6	-179.7	-175	0	0	0	0	112	N38 G43	N38-V45 HydrophobicContact CB-CG2 3.37Å; G43-V45 PolarHBondContact O-N 3.36Å
46	D	81.4	Confident	84.7	Confident	66 Å²	66	115.7 Å²	115.7	35%	0.353	61%	0.605	S	S	.	*	S	Bend	trans	-141.7	156	-171.2	-157.4	-6.9	0	0	0	109.8	R52	D46-R52 IonicContact OD1-CZ 2.73Å; D46-R52 IonicContact OD1-NH1 3.24Å; D46-R52 PolarHBondContact OD1-NH1 3.4Å; D46-R52 IonicContact OD2-CZ 3.36Å; D46-R52 IonicContact OD2-NH1 3.21Å; D46-R52 PolarHBondContact OD2-NH1 3.27Å
47	I	84.2	Confident	85.1	Confident	105 Å²	105	109.4 Å²	109.4	54%	0.538	58%	0.583	S	S	.	*			trans	-66.1	137.7	175.4	-57.7	169.8	0	0	0	107.6	A49	I47-A49 PolarHBondContact O-N 3.49Å
48	P	84.4	Confident	85.4	Confident	84 Å²	84	105.6 Å²	105.6	55%	0.545	56%	0.561	S	S	.	*			trans	-51.3	132.3	176	-26.5	34	0	0	0	111.5	N50 F51 R52	P48-N50 PolarHBondContact O-N 3.4Å; P48-F51 HydrophobicContact CB-CD2 4.3Å; P48-F51 PolarHBondContact O-N 3.48Å; P48-R52 PolarHBondContact O-N 3.22Å
49	A	83.6	Confident	85.5	Confident	74 Å²	74	109.8 Å²	109.8	61%	0.612	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-53.4	-31.7	-173.9	0	0	0	0	0	113.2	I47 F51 R52	I47-A49 PolarHBondContact O-N 3.49Å; A49-F51 VanDerWaalsContact C-N 3.26Å; A49-F51 PolarHBondContact O-N 3.32Å; A49-R52 PolarHBondContact O-N 3.35Å
50	N	85.2	Confident	85.4	Confident	132 Å²	132	104.4 Å²	104.4	71%	0.706	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-64.6	-24.6	-179.9	-59	-4.1	0	0	0	114	P48	P48-N50 PolarHBondContact O-N 3.4Å
51	F	87.1	Confident	85.4	Confident	117 Å²	117	105.6 Å²	105.6	51%	0.513	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-113.6	-1.2	-176.4	-62.4	-67.4	0	0	0	113.4	P48 A49 S53 L54	P48-F51 HydrophobicContact CB-CD2 4.3Å; P48-F51 PolarHBondContact O-N 3.48Å; A49-F51 VanDerWaalsContact C-N 3.26Å; A49-F51 PolarHBondContact O-N 3.32Å; F51-S53 VanDerWaalsContact C-N 3.28Å; F51-S53 PolarHBondContact O-N 3.09Å; F51-L54 PolarHBondContact O-N 3.2Å
52	R	84.7	Confident	85.3	Confident	164 Å²	164	108.7 Å²	108.7	62%	0.619	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-30.1	-174.5	-168.6	177.5	-174.6	141.6	4.6	113.4	D46 P48 A49	D46-R52 IonicContact OD1-CZ 2.73Å; D46-R52 IonicContact OD1-NH1 3.24Å; D46-R52 PolarHBondContact OD1-NH1 3.4Å; D46-R52 IonicContact OD2-CZ 3.36Å; D46-R52 IonicContact OD2-NH1 3.21Å; D46-R52 PolarHBondContact OD2-NH1 3.27Å; P48-R52 PolarHBondContact O-N 3.22Å; A49-R52 PolarHBondContact O-N 3.35Å
53	S	87.9	Confident	84.8	Confident	104 Å²	104	98.3 Å²	98.3	73%	0.727	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	8.8	-178.1	58.3	0	0	0	0	114.1	F51	F51-S53 VanDerWaalsContact C-N 3.28Å; F51-S53 PolarHBondContact O-N 3.09Å
54	L	87.9	Confident	84.3	Confident	94 Å²	94	106.2 Å²	106.2	49%	0.492	55%	0.549	S	S	.	.	S	Bend	trans	-124.3	129.6	-175.4	-67.3	167.8	0	0	0	110	F51 Y56	F51-L54 PolarHBondContact O-N 3.2Å; L54-Y56 PolarHBondContact O-N 3.23Å
55	P	88.7	Confident	84	Confident	67 Å²	67	108.6 Å²	108.6	44%	0.435	55%	0.553	S	S	.	*			trans	-53.2	121.6	165.7	-25.5	32.8	0	0	0	110.4	Q57 Q94 Y95	P55-Q57 PolarHBondContact O-N 3.37Å; P55-Q94 HydrophobicContact CB-CB 4.18Å; P55-Y95 HydrophobicContact CB-CE1 4.27Å; P55-Y95 HydrophobicContact CB-CE2 4.32Å; P55-Y95 VanDerWaalsContact CD-OH 3.27Å; P55-Y95 WeakPolarHBondContact CD-OH 3.26Å; P55-Y95 HydrophobicContact CG-CE1 4.17Å; P55-Y95 WeakPolarHBondContact O-CE2 3.27Å; P55-Y95 PolarHBondContact O-OH 3.49Å
56	Y	86.9	Confident	83.7	Confident	171 Å²	171	108 Å²	108	67%	0.671	54%	0.544	S	S	*	.			trans	-71.2	126.3	-178.7	175.5	-103.5	0	0	0	110.5	L54	L54-Y56 PolarHBondContact O-N 3.23Å
57	Q	87.2	Confident	83.3	Confident	56 Å²	56	113 Å²	113	26%	0.262	56%	0.562	S	S	.	*			trans	-136.2	122	169.2	-179.9	160.6	-27.5	0	0	109	P55 G92 Q94 Y95	P55-Q57 PolarHBondContact O-N 3.37Å; Q57-G92 PolarHBondContact NE2-O 3.34Å; Q57-Q94 HydrophobicContact CB-CB 4.49Å; Q57-Y95 HydrophobicContact CB-CD2 3.87Å; Q57-Y95 HydrophobicContact CB-CE2 3.87Å
58	P	87.8	Confident	83	Confident	41 Å²	41	113.7 Å²	113.7	27%	0.266	57%	0.566	S	S	.	*			trans	-65.4	146.8	176.2	27.3	-34.6	0	0	0	110.8	G90	P58-G90 VanDerWaalsContact CG-CA 3.48Å
59	F	85.8	Confident	82.7	Confident	138 Å²	138	114.2 Å²	114.2	61%	0.605	58%	0.577	S	S	*	*			trans	-151	154.2	176.1	69.7	-79.7	0	0	0	109.8	K61	F59-K61 HydrophobicContact CD2-CG 4.22Å; F59-K61 HydrophobicContact CE2-CD 4.43Å; F59-K61 HydrophobicContact CE2-CG 3.6Å
60	D	84.3	Confident	82.5	Confident	69 Å²	69	113.2 Å²	113.2	37%	0.369	56%	0.562	S	S	.	*			trans	-107.5	129.4	170.3	-177	4.2	0	0	0	109.8	S62 E63	D60-S62 VanDerWaalsContact CG-OG 3.25Å; D60-S62 PolarHBondContact O-N 3.17Å; D60-S62 WeakPolarHBondContact OD1-CB 2.95Å; D60-S62 PolarHBondContact OD1-N 3.39Å; D60-S62 PolarHBondContact OD1-OG 3Å; D60-S62 PolarHBondContact OD2-OG 2.89Å; D60-E63 HydrophobicContact CB-CG 4.03Å
61	K	86.1	Confident	82.3	Confident	185 Å²	185	118.9 Å²	118.9	80%	0.804	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-17.7	176.9	-70	-179.5	-178.1	-179	0	112.6	F59 E63	F59-K61 HydrophobicContact CD2-CG 4.22Å; F59-K61 HydrophobicContact CE2-CD 4.43Å; F59-K61 HydrophobicContact CE2-CG 3.6Å; K61-E63 VanDerWaalsContact C-N 3.3Å
62	S	82.7	Confident	82	Confident	94 Å²	94	116.3 Å²	116.3	66%	0.657	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-12.5	-177.7	88.7	0	0	0	0	113.5	D60	D60-S62 VanDerWaalsContact CG-OG 3.25Å; D60-S62 PolarHBondContact O-N 3.17Å; D60-S62 WeakPolarHBondContact OD1-CB 2.95Å; D60-S62 PolarHBondContact OD1-N 3.39Å; D60-S62 PolarHBondContact OD1-OG 3Å; D60-S62 PolarHBondContact OD2-OG 2.89Å
63	E	74.5	Confident	81.3	Confident	51 Å²	51	111.1 Å²	111.1	24%	0.238	57%	0.567	C	S	.	*	S	Bend	trans	-67.8	141.4	-176.8	-76	171	177.2	0	0	112.8	D60 K61 N87	D60-E63 HydrophobicContact CB-CG 4.03Å; K61-E63 VanDerWaalsContact C-N 3.3Å; E63-N87 WeakPolarHBondContact OE1-CA 3.45Å; E63-N87 WeakPolarHBondContact OE1-CB 3.35Å; E63-N87 PolarHBondContact OE1-ND2 2.95Å; E63-N87 PolarHBondContact OE1-OD1 3.43Å; E63-N87 PolarHBondContact OE2-ND2 2.77Å; E63-N87 PolarHBondContact OE2-OD1 2.75Å
64	R	75.1	Confident	80.3	Confident	204 Å²	204	116 Å²	116	77%	0.77	57%	0.57	S	S	*	*			trans	-75.4	128.7	178.7	-69.1	-177.4	177.5	-177.7	0.4	110.5	F66	R64-F66 HydrophobicContact CB-CD1 3.57Å; R64-F66 HydrophobicContact CB-CE1 3.71Å; R64-F66 VanDerWaalsContact O-CD1 3.27Å; R64-F66 WeakPolarHBondContact O-CD1 3.47Å
65	I	77.1	Confident	79.1	Confident	177 Å²	177	116.9 Å²	116.9	91%	0.908	58%	0.575	S	S	*	*			trans	-93.5	103.5	174.5	-52.6	172	0	0	0	109.1
66	F	74.7	Confident	77.7	Confident	74 Å²	74	119.1 Å²	119.1	33%	0.325	58%	0.583	S	S	.	*			trans	-153.8	5.3	-177.9	66.8	-81	0	0	0	116	R64 A84 Q85	R64-F66 HydrophobicContact CB-CD1 3.57Å; R64-F66 HydrophobicContact CB-CE1 3.71Å; R64-F66 VanDerWaalsContact O-CD1 3.27Å; R64-F66 WeakPolarHBondContact O-CD1 3.47Å; F66-A84 HydrophobicContact CE1-CB 4.4Å; F66-A84 VanDerWaalsContact CE1-O 3.25Å; F66-A84 WeakPolarHBondContact CE1-O 3.29Å; F66-A84 HydrophobicContact CZ-CB 3.84Å; F66-A84 WeakPolarHBondContact CZ-O 3.35Å; F66-Q85 HydrophobicContact CE1-CG 4.38Å; F66-Q85 HydrophobicContact CE2-CG 3.64Å; F66-Q85 HydrophobicContact CZ-CB 4.39Å; F66-Q85 HydrophobicContact CZ-CG 3.35Å
67	K	72.4	Confident	76.3	Confident	171 Å²	171	122.5 Å²	122.5	74%	0.743	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-79.6	131.5	-174.4	-172	176.5	-179.9	178.7	0	111.7
68	I	78.5	Confident	74.9	Confident	120 Å²	120	130.5 Å²	130.5	62%	0.615	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-98.6	135.6	170.7	-57.4	172	0	0	0	107.9
69	A	79.4	Confident	73.4	Confident	95 Å²	95	137.3 Å²	137.3	79%	0.785	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-89.9	118.7	170.5	0	0	0	0	0	109.3
70	D	78.2	Confident	71.7	Confident	53 Å²	53	132.2 Å²	132.2	28%	0.283	63%	0.63	S	S	.	*			trans	-125.6	113.9	179.5	177.8	16.5	0	0	0	110.3	S72 G73 R74 D75	D70-S72 VanDerWaalsContact CG-OG 3.26Å; D70-S72 PolarHBondContact O-N 3.43Å; D70-S72 WeakPolarHBondContact OD1-CA 2.94Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.28Å; D70-S72 PolarHBondContact OD1-N 3Å; D70-S72 PolarHBondContact OD1-OG 2.91Å; D70-S72 PolarHBondContact OD2-OG 3.19Å; D70-S72 VanDerWaalsContact OD2-OG 3.05Å; D70-G73 PolarHBondContact O-N 3.13Å; D70-G73 PolarHBondContact OD2-N 3.49Å; D70-R74 PolarHBondContact OD2-N 2.85Å; D70-D75 PolarHBondContact OD2-N 3.24Å
71	W	81.7	Confident	70	Confident	252 Å²	252	131.1 Å²	131.1	96%	0.955	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-15.6	176	60.8	81.5	0	0	0	113
72	S	79.6	Confident	68.5	Low	63 Å²	63	129.1 Å²	129.1	44%	0.441	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-12	179.7	79.6	0	0	0	0	114	D70 R74	D70-S72 VanDerWaalsContact CG-OG 3.26Å; D70-S72 PolarHBondContact O-N 3.43Å; D70-S72 WeakPolarHBondContact OD1-CA 2.94Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.28Å; D70-S72 PolarHBondContact OD1-N 3Å; D70-S72 PolarHBondContact OD1-OG 2.91Å; D70-S72 PolarHBondContact OD2-OG 3.19Å; D70-S72 VanDerWaalsContact OD2-OG 3.05Å; S72-R74 VanDerWaalsContact C-N 3.31Å; S72-R74 PolarHBondContact O-N 3.27Å
73	G	70.9	Confident	66.9	Low	54 Å²	54	129.6 Å²	129.6	56%	0.557	63%	0.633	S	S	*	*			trans	65.4	24.7	177.8	0	0	0	0	0	115.1	D70	D70-G73 PolarHBondContact O-N 3.13Å; D70-G73 PolarHBondContact OD2-N 3.49Å
74	R	67.2	Low	65.8	Low	208 Å²	208	129.7 Å²	129.7	79%	0.785	64%	0.642	S	S	*	*			trans	-92.3	-28.4	-172.2	-71.1	-177	176	-176.3	2	113.9	D70 S72	D70-R74 PolarHBondContact OD2-N 2.85Å; S72-R74 VanDerWaalsContact C-N 3.31Å; S72-R74 PolarHBondContact O-N 3.27Å
75	D	61.5	Low	65	Low	111 Å²	111	123.2 Å²	123.2	59%	0.594	62%	0.62	S	S	*	*	S	Bend	trans	-94.3	-3.2	-167.9	-96.4	-20.4	0	0	0	117	D70 R77	D70-D75 PolarHBondContact OD2-N 3.24Å; D75-R77 PolarHBondContact O-N 2.93Å
76	D	59.2	Low	64.1	Low	115 Å²	115	117.8 Å²	117.8	62%	0.615	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-13.2	-171.7	-94.3	-21.9	0	0	0	116	G80	D76-G80 PolarHBondContact O-N 3.11Å
77	R	59.1	Low	63.4	Low	242 Å²	242	117.6 Å²	117.6	91%	0.913	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-18.8	-168.8	-67.8	-172.3	-171.1	141.2	4.2	115.9	D75	D75-R77 PolarHBondContact O-N 2.93Å
78	R	57	Low	62.9	Low	224 Å²	224	116 Å²	116	85%	0.845	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-22.5	-172.7	-73.2	-171.2	-161.2	-178.6	7.9	115.2
79	Y	55.9	Low	61.9	Low	184 Å²	184	118.3 Å²	118.3	72%	0.722	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	-1.1	-179.4	-68.4	-84.4	0	0	0	113.3	G81	Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 3.39Å; Y79-G81 VanDerWaalsContact O-N 3.11Å
80	G	50.6	Low	61	Low	30 Å²	30	114.6 Å²	114.6	31%	0.309	58%	0.579	S	S	.	*			trans	-84.1	43.9	-172.2	0	0	0	0	0	116.5	D76 R82	D76-G80 PolarHBondContact O-N 3.11Å; G80-R82 PolarHBondContact O-N 3.45Å; G80-R82 VanDerWaalsContact O-N 3.1Å
81	G	48.5	Very low	60.4	Low	47 Å²	47	117 Å²	117	49%	0.485	61%	0.606	S	S	.	*			trans	-67.6	103.6	163.5	0	0	0	0	0	109.1	Y79 A83 A84	Y79-G81 VanDerWaalsContact C-N 3.33Å; Y79-G81 PolarHBondContact O-N 3.39Å; Y79-G81 VanDerWaalsContact O-N 3.11Å; G81-A83 PolarHBondContact O-N 3.17Å; G81-A84 PolarHBondContact O-N 3.19Å
82	R	53.8	Low	60	Low	143 Å²	143	106.5 Å²	106.5	54%	0.54	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51	-21.7	-174.5	-69.2	-178.5	179.8	-177.1	-2.8	114.9	G80 T86	G80-R82 PolarHBondContact O-N 3.45Å; G80-R82 VanDerWaalsContact O-N 3.1Å; R82-T86 PolarHBondContact O-OG1 3.29Å
83	A	50.3	Low	60.2	Low	104 Å²	104	106.6 Å²	106.6	86%	0.86	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-19.8	176	0	0	0	0	0	114.6	G81	G81-A83 PolarHBondContact O-N 3.17Å
84	A	51.8	Low	61	Low	52 Å²	52	110.3 Å²	110.3	43%	0.43	58%	0.58	S	S	.	*	S	Bend	trans	-96.1	-10.9	-179.8	0	0	0	0	0	113.6	F66 G81	F66-A84 HydrophobicContact CE1-CB 4.4Å; F66-A84 VanDerWaalsContact CE1-O 3.25Å; F66-A84 WeakPolarHBondContact CE1-O 3.29Å; F66-A84 HydrophobicContact CZ-CB 3.84Å; F66-A84 WeakPolarHBondContact CZ-O 3.35Å; G81-A84 PolarHBondContact O-N 3.19Å
85	Q	56.9	Low	61.9	Low	69 Å²	69	107 Å²	107	32%	0.322	57%	0.568	S	S	.	*	S	Bend	trans	-110.2	-9.6	-166.5	-74.9	-178.2	-26	0	0	114.6	F66	F66-Q85 HydrophobicContact CE1-CG 4.38Å; F66-Q85 HydrophobicContact CE2-CG 3.64Å; F66-Q85 HydrophobicContact CZ-CB 4.39Å; F66-Q85 HydrophobicContact CZ-CG 3.35Å
86	T	59.1	Low	63.2	Low	63 Å²	63	104 Å²	104	39%	0.387	56%	0.559	S	S	.	*	S	Bend	trans	-103.9	121.8	-172.5	-35.4	0	0	0	0	108.2	R82 V88	R82-T86 PolarHBondContact O-OG1 3.29Å; T86-V88 PolarHBondContact O-N 3.21Å
87	N	60	Low	64.6	Low	69 Å²	69	107.3 Å²	107.3	37%	0.369	56%	0.564	S	S	.	*			trans	-56.9	111.7	171.6	-71.6	30.6	0	0	0	108.4	E63 F89	E63-N87 WeakPolarHBondContact OE1-CA 3.45Å; E63-N87 WeakPolarHBondContact OE1-CB 3.35Å; E63-N87 PolarHBondContact OE1-ND2 2.95Å; E63-N87 PolarHBondContact OE1-OD1 3.43Å; E63-N87 PolarHBondContact OE2-ND2 2.77Å; E63-N87 PolarHBondContact OE2-OD1 2.75Å; N87-F89 PolarHBondContact O-N 3.43Å
88	V	61.1	Low	65.9	Low	139 Å²	139	102.7 Å²	102.7	84%	0.842	55%	0.547	S	S	*	.	S	Bend	trans	-67.2	-26.8	-176.8	179.1	0	0	0	0	109.7	T86	T86-V88 PolarHBondContact O-N 3.21Å
89	F	57.2	Low	67.1	Low	168 Å²	168	96.4 Å²	96.4	74%	0.737	53%	0.528	S	S	*	.	S	Bend	trans	-140.6	119.1	179.1	-150.6	-100.2	0	0	0	109.2	N87	N87-F89 PolarHBondContact O-N 3.43Å
90	G	61.9	Low	67.9	Low	17 Å²	17	94.8 Å²	94.8	18%	0.175	53%	0.532	C	S	.	.			trans	106.6	42.2	172.4	0	0	0	0	0	117.4	P58 G92	P58-G90 VanDerWaalsContact CG-CA 3.48Å; G90-G92 PolarHBondContact O-N 2.77Å
91	A	65.9	Low	68.9	Low	103 Å²	103	98.1 Å²	98.1	85%	0.851	54%	0.542	S	S	*	.			trans	-70.3	87.2	169.4	0	0	0	0	0	111.5
92	G	73.2	Confident	69.4	Low	31 Å²	31	102.8 Å²	102.8	32%	0.32	55%	0.551	S	S	.	*			trans	-104.8	153.3	169.5	0	0	0	0	0	112.4	Q57 G90	Q57-G92 PolarHBondContact NE2-O 3.34Å; G90-G92 PolarHBondContact O-N 2.77Å
93	S	83	Confident	69.8	Low	65 Å²	65	101.6 Å²	101.6	46%	0.455	56%	0.556	S	S	.	*			trans	-118.9	19.2	175.4	58.7	0	0	0	0	113.1	Y95 A96 Y98	S93-Y95 VanDerWaalsContact C-N 3.26Å; S93-Y95 PolarHBondContact O-N 2.94Å; S93-A96 VanDerWaalsContact O-CB 3.28Å; S93-A96 WeakPolarHBondContact O-CB 3.14Å; S93-A96 PolarHBondContact O-N 3.34Å; S93-A96 VanDerWaalsContact O-N 3.09Å; S93-Y98 WeakPolarHBondContact CB-OH 3.32Å
94	Q	87.5	Confident	70.6	Confident	132 Å²	132	102.1 Å²	102.1	62%	0.617	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-33.8	-178	-65.9	-66.5	-10.2	0	0	112.1	P55 Q57	P55-Q94 HydrophobicContact CB-CB 4.18Å; Q57-Q94 HydrophobicContact CB-CB 4.49Å
95	Y	87.4	Confident	71.2	Confident	138 Å²	138	107.2 Å²	107.2	54%	0.541	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	32.9	173.5	-58.8	-77.7	0	0	0	112.4	P55 Q57 S93	P55-Y95 HydrophobicContact CB-CE1 4.27Å; P55-Y95 HydrophobicContact CB-CE2 4.32Å; P55-Y95 VanDerWaalsContact CD-OH 3.27Å; P55-Y95 WeakPolarHBondContact CD-OH 3.26Å; P55-Y95 HydrophobicContact CG-CE1 4.17Å; P55-Y95 WeakPolarHBondContact O-CE2 3.27Å; P55-Y95 PolarHBondContact O-OH 3.49Å; Q57-Y95 HydrophobicContact CB-CD2 3.87Å; Q57-Y95 HydrophobicContact CB-CE2 3.87Å; S93-Y95 VanDerWaalsContact C-N 3.26Å; S93-Y95 PolarHBondContact O-N 2.94Å
96	A	88	Confident	71.9	Confident	48 Å²	48	110.9 Å²	110.9	40%	0.397	59%	0.585	S	S	.	*			trans	-101.3	139.1	176.6	0	0	0	0	0	111.7	S93 Y98	S93-A96 VanDerWaalsContact O-CB 3.28Å; S93-A96 WeakPolarHBondContact O-CB 3.14Å; S93-A96 PolarHBondContact O-N 3.34Å; S93-A96 VanDerWaalsContact O-N 3.09Å; A96-Y98 HydrophobicContact CB-CD2 4.49Å; A96-Y98 HydrophobicContact CB-CE2 3.8Å
97	Y	87.8	Confident	72.9	Confident	186 Å²	186	116.6 Å²	116.6	73%	0.729	61%	0.607	S	S	*	*			trans	-100.3	125	169.4	175.9	-107.6	0	0	0	109.5	H99	Y97-H99 HydrophobicContact CE1-CB 3.82Å; Y97-H99 AromaticContact CE1-ND1 3.78Å; Y97-H99 AromaticContact CZ-ND1 3.71Å; Y97-H99 PolarHBondContact OH-ND1 2.61Å
98	Y	86.1	Confident	73.7	Confident	144 Å²	144	122.2 Å²	122.2	57%	0.565	63%	0.633	S	S	*	*			trans	-106.6	119.6	171.7	-63.9	-87.2	0	0	0	108	S93 A96	S93-Y98 WeakPolarHBondContact CB-OH 3.32Å; A96-Y98 HydrophobicContact CB-CD2 4.49Å; A96-Y98 HydrophobicContact CB-CE2 3.8Å
99	H	83.1	Confident	74.5	Confident	93 Å²	93	121.5 Å²	121.5	43%	0.431	63%	0.629	S	S	.	*			trans	-86.1	109.1	172.7	-161.6	66.3	0	0	0	107.9	Y97 D101 D103	Y97-H99 HydrophobicContact CE1-CB 3.82Å; Y97-H99 AromaticContact CE1-ND1 3.78Å; Y97-H99 AromaticContact CZ-ND1 3.71Å; Y97-H99 PolarHBondContact OH-ND1 2.61Å; H99-D101 PolarHBondContact CD2-O 3.46Å; H99-D103 IonicContact NE2-OD1 3.47Å
100	D	73.2	Confident	75.1	Confident	150 Å²	150	118.4 Å²	118.4	80%	0.802	62%	0.621	S	S	*	*			trans	-80.8	-18.8	-174.9	-71.4	-30.8	0	0	0	113.1
101	D	70.7	Confident	75.6	Confident	100 Å²	100	124.1 Å²	124.1	54%	0.535	65%	0.652	S	S	.	*	S	Bend	trans	-83.1	130.1	-177.2	-68.2	-39.4	0	0	0	111.5	H99 D103 F106	H99-D101 PolarHBondContact CD2-O 3.46Å; D101-D103 PolarHBondContact O-N 2.6Å; D101-F106 HydrophobicContact CB-CE2 4.33Å
102	E	59.2	Low	75.4	Confident	145 Å²	145	126.2 Å²	126.2	68%	0.678	64%	0.644	S	S	*	*			trans	-73.3	95.6	170.1	-69.8	-173.1	167.9	0	0	109.3	S104 M105	E102-S104 PolarHBondContact O-N 3.12Å; E102-M105 PolarHBondContact O-N 3.01Å
103	D	63.4	Low	74.5	Confident	118 Å²	118	134.6 Å²	134.6	63%	0.631	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-49.1	-21.8	177	-88.1	-30.2	0	0	0	114.3	H99 D101 M105 F106	H99-D103 IonicContact NE2-OD1 3.47Å; D101-D103 PolarHBondContact O-N 2.6Å; D103-M105 PolarHBondContact O-N 2.87Å; D103-F106 PolarHBondContact O-N 3.21Å
104	S	65.8	Low	73	Confident	114 Å²	114	136.6 Å²	136.6	80%	0.797	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-74.1	-10	178.8	23	0	0	0	0	114.2	E102	E102-S104 PolarHBondContact O-N 3.12Å
105	M	64.4	Low	71.2	Confident	160 Å²	160	135.6 Å²	135.6	79%	0.788	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-87.9	-17.2	175.4	-118.4	-178.9	95.8	0	0	113.7	E102 D103	E102-M105 PolarHBondContact O-N 3.01Å; D103-M105 PolarHBondContact O-N 2.87Å
106	F	73	Confident	69	Low	146 Å²	146	140.5 Å²	140.5	64%	0.64	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-91.5	122.5	-179.4	-65.6	-86.5	0	0	0	111	D101 D103	D101-F106 HydrophobicContact CB-CE2 4.33Å; D103-F106 PolarHBondContact O-N 3.21Å
107	Q	78.6	Confident	66.8	Low	182 Å²	182	142.5 Å²	142.5	85%	0.85	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-100.8	129.8	164.7	-67.3	-176.9	-2.1	0	0	108.5	V109	Q107-V109 PolarHBondContact O-N 3.2Å
108	M	78.5	Confident	64.8	Low	187 Å²	187	137.7 Å²	137.7	92%	0.921	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-63.5	116	174.2	179.9	169.4	45.9	0	0	109.6	D110	M108-D110 PolarHBondContact O-N 3.35Å
109	V	77.2	Confident	62.9	Low	124 Å²	124	136 Å²	136	75%	0.752	73%	0.725	S	S	*	*			trans	-77.5	114.4	176.3	180	0	0	0	0	108.7	Q107 T111	Q107-V109 PolarHBondContact O-N 3.2Å; V109-T111 PolarHBondContact O-N 3.35Å
110	D	70.2	Confident	61.3	Low	104 Å²	104	138.7 Å²	138.7	56%	0.556	74%	0.742	S	S	*	*			trans	-77.1	110.5	176.5	-167.9	-1.9	0	0	0	110.4	M108 Q112	M108-D110 PolarHBondContact O-N 3.35Å; D110-Q112 VanDerWaalsContact C-N 3.3Å; D110-Q112 VanDerWaalsContact OD1-CB 3.3Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.47Å; D110-Q112 PolarHBondContact OD1-N 3.44Å
111	T	72.8	Confident	60	Low	136 Å²	136	142.2 Å²	142.2	83%	0.834	74%	0.744	S	S	*	*			trans	-87.3	4.3	174.6	56	0	0	0	0	113	V109	V109-T111 PolarHBondContact O-N 3.35Å
112	Q	60.9	Low	59.1	Low	148 Å²	148	140 Å²	140	69%	0.692	75%	0.745	S	S	*	*	S	Bend	trans	-86.1	137.2	174.8	-57.5	-168.9	-8.2	0	0	110.1	D110 V114	D110-Q112 VanDerWaalsContact C-N 3.3Å; D110-Q112 VanDerWaalsContact OD1-CB 3.3Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.47Å; D110-Q112 PolarHBondContact OD1-N 3.44Å; Q112-V114 PolarHBondContact O-N 3.33Å
113	K	53.6	Low	58.7	Low	206 Å²	206	139.3 Å²	139.3	90%	0.896	74%	0.741	S	S	*	*			trans	-58.2	102.4	168.4	-76	-179.2	178.8	175.8	0	107.7	P115	K113-P115 WeakPolarHBondContact O-CD 3.42Å
114	V	52	Low	58	Low	108 Å²	108	142.3 Å²	142.3	66%	0.655	74%	0.744	S	S	*	*			trans	-46.4	109.9	177	-177.6	0	0	0	0	108.8	Q112 R116	Q112-V114 PolarHBondContact O-N 3.33Å; V114-R116 PolarHBondContact O-N 3.1Å; V114-R116 VanDerWaalsContact O-N 3.13Å
115	P	49.7	Very low	57.7	Low	111 Å²	111	141.7 Å²	141.7	72%	0.721	73%	0.731	S	S	*	*			trans	-64.4	118.3	162	-1.1	16.5	0	0	0	104.4	K113 A117	K113-P115 WeakPolarHBondContact O-CD 3.42Å; P115-A117 PolarHBondContact O-N 2.92Å
116	R	40.1	Very low	57.3	Low	241 Å²	241	142.4 Å²	142.4	91%	0.909	73%	0.725	S	S	*	*			trans	-37	112.1	176.2	-87.2	-178.7	-176.3	157.1	1.8	109.1	V114 A118	V114-R116 PolarHBondContact O-N 3.1Å; V114-R116 VanDerWaalsContact O-N 3.13Å; R116-A118 PolarHBondContact O-N 3.02Å
117	A	41.8	Very low	56.7	Low	89 Å²	89	141.5 Å²	141.5	74%	0.736	72%	0.723	S	S	*	*			trans	-53.6	115.6	175.6	0	0	0	0	0	107.8	P115	P115-A117 PolarHBondContact O-N 2.92Å
118	A	46.8	Very low	56.1	Low	86 Å²	86	137.1 Å²	137.1	71%	0.711	70%	0.704	S	S	*	*			trans	-51.5	132	172.5	0	0	0	0	0	107.8	R116 L120	R116-A118 PolarHBondContact O-N 3.02Å; A118-L120 PolarHBondContact O-N 3.26Å
119	P	47.1	Very low	55.4	Low	107 Å²	107	133.9 Å²	133.9	70%	0.695	69%	0.687	S	S	*	*			trans	-57.9	118.4	-170.9	21.2	-30.8	0	0	0	109.3	R121	P119-R121 PolarHBondContact O-N 2.72Å
120	L	48.6	Very low	54.8	Low	150 Å²	150	133 Å²	133	79%	0.785	68%	0.677	S	S	*	*			trans	-36.6	99.5	174.5	-84.3	137.7	0	0	0	110.6	A118 G122 H123	A118-L120 PolarHBondContact O-N 3.26Å; L120-G122 PolarHBondContact O-N 2.86Å; L120-H123 PolarHBondContact O-N 2.8Å; L120-H123 VanDerWaalsContact O-N 3.16Å
121	R	45.8	Very low	54.8	Low	224 Å²	224	130.4 Å²	130.4	85%	0.845	67%	0.67	S	S	*	*	H	α-helix	trans	-57	-15.6	178.2	-105.5	178.6	176.2	170.7	-0.8	112.5	P119 L125	P119-R121 PolarHBondContact O-N 2.72Å; R121-L125 WeakPolarHBondContact O-CD1 3.47Å
122	G	51.2	Low	54.6	Low	53 Å²	53	132.6 Å²	132.6	55%	0.546	66%	0.663	S	S	.	*	H	α-helix	trans	-77.5	-31.1	177.4	0	0	0	0	0	115.7	L120 R126	L120-G122 PolarHBondContact O-N 2.86Å; G122-R126 PolarHBondContact O-N 3.12Å
123	H	50.3	Low	54.9	Low	131 Å²	131	134.6 Å²	134.6	61%	0.606	66%	0.664	S	S	*	*	H	α-helix	trans	-81.6	-31.5	-174.3	-135.4	-71.4	0	0	0	112.6	L120 Q127	L120-H123 PolarHBondContact O-N 2.8Å; L120-H123 VanDerWaalsContact O-N 3.16Å; H123-Q127 PolarHBondContact O-N 3.22Å
124	R	50.5	Low	55.7	Low	181 Å²	181	130.5 Å²	130.5	68%	0.683	65%	0.65	S	S	*	*	H	α-helix	trans	-71.8	-36.3	170.8	-94.6	-176.2	176.6	174	-0.4	112.6	R126 Q127 I128	R124-R126 VanDerWaalsContact C-N 3.34Å; R124-R126 PolarHBondContact O-N 3.21Å; R124-Q127 PolarHBondContact O-N 2.89Å; R124-I128 WeakPolarHBondContact O-CB 3.12Å; R124-I128 WeakPolarHBondContact O-CD1 3.46Å; R124-I128 WeakPolarHBondContact O-CG1 3.26Å; R124-I128 PolarHBondContact O-N 3.31Å
125	L	57.8	Low	56.7	Low	101 Å²	101	130.4 Å²	130.4	53%	0.529	65%	0.645	S	S	.	*	H	α-helix	trans	-63.9	-39.3	176.7	-109	142.3	0	0	0	111.8	R121 I128 Q129	R121-L125 WeakPolarHBondContact O-CD1 3.47Å; L125-I128 PolarHBondContact O-N 2.65Å; L125-Q129 WeakPolarHBondContact O-CB 3.2Å; L125-Q129 VanDerWaalsContact O-CG 3.31Å; L125-Q129 WeakPolarHBondContact O-CG 3.45Å; L125-Q129 PolarHBondContact O-N 2.78Å
126	R	56.6	Low	57.7	Low	176 Å²	176	131.1 Å²	131.1	66%	0.664	64%	0.639	S	S	*	*	H	α-helix	trans	-68.8	-39.4	175.2	-152.3	176.8	-172.6	-171.1	2.9	112.3	G122 R124 I130	G122-R126 PolarHBondContact O-N 3.12Å; R124-R126 VanDerWaalsContact C-N 3.34Å; R124-R126 PolarHBondContact O-N 3.21Å; R126-I130 HydrophobicContact CG-CD1 4.37Å; R126-I130 WeakPolarHBondContact O-CD1 3.39Å; R126-I130 WeakPolarHBondContact O-CG1 3.34Å; R126-I130 PolarHBondContact O-N 3.18Å
127	Q	60.7	Low	58.9	Low	127 Å²	127	127.9 Å²	127.9	59%	0.593	63%	0.627	S	S	*	*	H	α-helix	trans	-68.1	-38.6	173.3	-84.6	-174.5	-11.1	0	0	113.1	H123 R124 I130 A131	H123-Q127 PolarHBondContact O-N 3.22Å; R124-Q127 PolarHBondContact O-N 2.89Å; Q127-I130 PolarHBondContact O-N 3.11Å; Q127-A131 VanDerWaalsContact O-CB 3.32Å; Q127-A131 WeakPolarHBondContact O-CB 3.5Å; Q127-A131 PolarHBondContact O-N 3.38Å
128	I	65.1	Low	59.9	Low	89 Å²	89	129.6 Å²	129.6	46%	0.456	62%	0.62	S	S	.	*	H	α-helix	trans	-68.1	-36.3	176.5	-68.8	164.5	0	0	0	110.9	R124 L125 R132	R124-I128 WeakPolarHBondContact O-CB 3.12Å; R124-I128 WeakPolarHBondContact O-CD1 3.46Å; R124-I128 WeakPolarHBondContact O-CG1 3.26Å; R124-I128 PolarHBondContact O-N 3.31Å; L125-I128 PolarHBondContact O-N 2.65Å; I128-R132 WeakPolarHBondContact O-CB 3.41Å; I128-R132 WeakPolarHBondContact O-CG 3.49Å; I128-R132 PolarHBondContact O-N 3.18Å
129	Q	63.9	Low	60.8	Low	119 Å²	119	135 Å²	135	56%	0.556	62%	0.622	S	S	*	*	H	α-helix	trans	-68.8	-38	173.9	-77.2	176.7	-9.9	0	0	112.7	L125 R133	L125-Q129 WeakPolarHBondContact O-CB 3.2Å; L125-Q129 VanDerWaalsContact O-CG 3.31Å; L125-Q129 WeakPolarHBondContact O-CG 3.45Å; L125-Q129 PolarHBondContact O-N 2.78Å; Q129-R133 PolarHBondContact O-N 2.97Å; Q129-R133 VanDerWaalsContact O-N 3.14Å
130	I	64.9	Low	61.7	Low	106 Å²	106	135.9 Å²	135.9	54%	0.544	62%	0.617	S	S	.	*	H	α-helix	trans	-69.4	-40.3	175.4	-66.9	164.7	0	0	0	110.9	R126 Q127 R133 M134	R126-I130 HydrophobicContact CG-CD1 4.37Å; R126-I130 WeakPolarHBondContact O-CD1 3.39Å; R126-I130 WeakPolarHBondContact O-CG1 3.34Å; R126-I130 PolarHBondContact O-N 3.18Å; Q127-I130 PolarHBondContact O-N 3.11Å; I130-R133 PolarHBondContact O-N 3.03Å; I130-M134 PolarHBondContact O-N 3.41Å; I130-M134 VanDerWaalsContact O-N 3.08Å
131	A	70.2	Confident	62.2	Low	50 Å²	50	137.9 Å²	137.9	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-67.6	-37.4	175.4	0	0	0	0	0	112.9	Q127 M134 N135	Q127-A131 VanDerWaalsContact O-CB 3.32Å; Q127-A131 WeakPolarHBondContact O-CB 3.5Å; Q127-A131 PolarHBondContact O-N 3.38Å; A131-M134 PolarHBondContact O-N 3.4Å; A131-N135 PolarHBondContact O-N 3.05Å
132	R	69	Low	62.9	Low	181 Å²	181	136.1 Å²	136.1	68%	0.683	61%	0.607	S	S	*	*	H	α-helix	trans	-64.7	-38.6	173.5	-80.5	-179	176.9	-174.6	-0.2	112.4	I128 Q136	I128-R132 WeakPolarHBondContact O-CB 3.41Å; I128-R132 WeakPolarHBondContact O-CG 3.49Å; I128-R132 PolarHBondContact O-N 3.18Å; R132-Q136 PolarHBondContact O-N 3.1Å; R132-Q136 VanDerWaalsContact O-N 3.1Å
133	R	67.4	Low	63.4	Low	190 Å²	190	138.8 Å²	138.8	72%	0.717	61%	0.609	S	S	*	*	H	α-helix	trans	-69.6	-33.3	175.3	-85.2	-176.3	174.4	176.3	-0.2	113.3	Q129 I130 R137	Q129-R133 PolarHBondContact O-N 2.97Å; Q129-R133 VanDerWaalsContact O-N 3.14Å; I130-R133 PolarHBondContact O-N 3.03Å; R133-R137 PolarHBondContact O-N 3.44Å
134	M	69.4	Low	63.7	Low	121 Å²	121	140.2 Å²	140.2	60%	0.596	62%	0.616	S	S	*	*	H	α-helix	trans	-70.1	-44.9	174.1	-75.8	-72.7	-110	0	0	111.7	I130 A131 Q136 R137 E138	I130-M134 PolarHBondContact O-N 3.41Å; I130-M134 VanDerWaalsContact O-N 3.08Å; A131-M134 PolarHBondContact O-N 3.4Å; M134-Q136 VanDerWaalsContact C-N 3.33Å; M134-Q136 PolarHBondContact O-N 3.24Å; M134-R137 PolarHBondContact O-N 2.55Å; M134-E138 PolarHBondContact O-N 3.25Å
135	N	73.3	Confident	63.9	Low	105 Å²	105	135.8 Å²	135.8	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-30.1	178	-77.9	-15.8	0	0	0	113.6	A131 R139	A131-N135 PolarHBondContact O-N 3.05Å; N135-R139 PolarHBondContact O-N 3.22Å; N135-R139 VanDerWaalsContact O-N 3.11Å
136	Q	71.3	Confident	63.6	Low	127 Å²	127	138.7 Å²	138.7	59%	0.593	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-45	171.4	-93.1	175.3	-22	0	0	112.1	R132 M134 E138 R139 E140	R132-Q136 PolarHBondContact O-N 3.1Å; R132-Q136 VanDerWaalsContact O-N 3.1Å; M134-Q136 VanDerWaalsContact C-N 3.33Å; M134-Q136 PolarHBondContact O-N 3.24Å; Q136-E138 VanDerWaalsContact C-N 3.28Å; Q136-E138 PolarHBondContact O-N 2.99Å; Q136-R139 PolarHBondContact O-N 3.11Å; Q136-E140 WeakPolarHBondContact O-CG 3.44Å; Q136-E140 PolarHBondContact O-N 3.42Å
137	R	64.8	Low	63.3	Low	173 Å²	173	136.6 Å²	136.6	65%	0.653	63%	0.63	S	S	*	*	H	α-helix	trans	-64.2	-31.8	176	-80.4	179.4	170.8	-179.6	-4.2	113.1	R133 M134 R141	R133-R137 PolarHBondContact O-N 3.44Å; M134-R137 PolarHBondContact O-N 2.55Å; R137-R141 WeakPolarHBondContact O-CB 3.38Å; R137-R141 PolarHBondContact O-N 3.32Å
138	E	62.8	Low	62.4	Low	125 Å²	125	134.8 Å²	134.8	58%	0.584	64%	0.636	S	S	*	*	H	α-helix	trans	-77.7	-32	178.4	-158.9	151	-153.3	0	0	112.7	M134 Q136 R142	M134-E138 PolarHBondContact O-N 3.25Å; Q136-E138 VanDerWaalsContact C-N 3.28Å; Q136-E138 PolarHBondContact O-N 2.99Å; E138-R142 PolarHBondContact O-N 2.72Å
139	R	66.4	Low	61.1	Low	200 Å²	200	134 Å²	134	76%	0.755	65%	0.651	S	S	*	*	H	α-helix	trans	-67.7	-40.9	167.7	-92	-177.9	173.5	-177	-2.3	112.7	N135 Q136 R142 N143	N135-R139 PolarHBondContact O-N 3.22Å; N135-R139 VanDerWaalsContact O-N 3.11Å; Q136-R139 PolarHBondContact O-N 3.11Å; R139-R142 PolarHBondContact O-N 2.8Å; R139-N143 PolarHBondContact O-N 3.14Å
140	E	65.2	Low	59.8	Low	125 Å²	125	139.3 Å²	139.3	58%	0.584	67%	0.666	S	S	*	*	H	α-helix	trans	-64.1	-40.3	174.8	-74.7	170.7	178	0	0	111.4	Q136 N143 Q144	Q136-E140 WeakPolarHBondContact O-CG 3.44Å; Q136-E140 PolarHBondContact O-N 3.42Å; E140-N143 PolarHBondContact O-N 3.17Å; E140-Q144 WeakPolarHBondContact O-CB 3.43Å; E140-Q144 PolarHBondContact O-N 3.16Å
141	R	59.6	Low	58.5	Low	192 Å²	192	143.8 Å²	143.8	73%	0.725	68%	0.682	S	S	*	*	H	α-helix	trans	-64.1	-40.1	173.3	-108.7	-178.8	151.4	-178.1	-5.9	113.3	R137 Q144 S145	R137-R141 WeakPolarHBondContact O-CB 3.38Å; R137-R141 PolarHBondContact O-N 3.32Å; R141-Q144 PolarHBondContact O-N 3.47Å; R141-S145 WeakPolarHBondContact O-CB 3.45Å; R141-S145 PolarHBondContact O-N 3.4Å; R141-S145 PolarHBondContact O-OG 3.35Å
142	R	60.4	Low	57	Low	187 Å²	187	145.1 Å²	145.1	71%	0.706	70%	0.701	S	S	*	*	H	α-helix	trans	-67.2	-39.1	175.6	-87.1	-176.5	174.1	-178.8	-0.6	112.3	E138 R139 S145 Q146	E138-R142 PolarHBondContact O-N 2.72Å; R139-R142 PolarHBondContact O-N 2.8Å; R142-S145 PolarHBondContact O-N 3.15Å; R142-Q146 PolarHBondContact O-N 2.73Å
143	N	62.7	Low	55.6	Low	109 Å²	109	142.4 Å²	142.4	58%	0.583	70%	0.7	S	S	*	*	H	α-helix	trans	-70.3	-32.8	175.7	-80	1	0	0	0	112.6	R139 E140 S145	R139-N143 PolarHBondContact O-N 3.14Å; E140-N143 PolarHBondContact O-N 3.17Å; N143-S145 VanDerWaalsContact C-N 3.32Å
144	Q	56.7	Low	54.3	Low	160 Å²	160	143.9 Å²	143.9	75%	0.748	71%	0.705	S	S	*	*	H	α-helix	trans	-75.6	-21.5	174.4	-130.8	168.3	36.8	0	0	113	E140 R141	E140-Q144 WeakPolarHBondContact O-CB 3.43Å; E140-Q144 PolarHBondContact O-N 3.16Å; R141-Q144 PolarHBondContact O-N 3.47Å
145	S	54	Low	52.8	Low	88 Å²	88	141.9 Å²	141.9	62%	0.615	72%	0.716	S	S	*	*	H	α-helix	trans	-86.8	-15.5	176.7	-51.6	0	0	0	0	113.5	R141 R142 N143	R141-S145 WeakPolarHBondContact O-CB 3.45Å; R141-S145 PolarHBondContact O-N 3.4Å; R141-S145 PolarHBondContact O-OG 3.35Å; R142-S145 PolarHBondContact O-N 3.15Å; N143-S145 VanDerWaalsContact C-N 3.32Å
146	Q	52.3	Low	51.3	Low	162 Å²	162	147.5 Å²	147.5	76%	0.757	73%	0.729	S	S	*	*	S	Bend	trans	-90.3	-7	176.7	-79	-173.1	-20.4	0	0	114	R142	R142-Q146 PolarHBondContact O-N 2.73Å
147	V	49.7	Very low	50	Low	132 Å²	132	147.7 Å²	147.7	80%	0.8	73%	0.734	S	S	*	*	S	Bend	trans	-100.1	-6.3	179.4	-177.9	0	0	0	0	112.6
148	A	41.7	Very low	48.9	Very low	89 Å²	89	142.9 Å²	142.9	74%	0.736	73%	0.731	S	S	*	*	S	Bend	trans	-112	13.4	-177.2	0	0	0	0	0	115
149	G	37.4	Very low	47.9	Very low	74 Å²	74	148.5 Å²	148.5	76%	0.763	75%	0.747	S	S	*	*			trans	-122.1	53.5	-174.9	0	0	0	0	0	113.9
150	R	37.6	Very low	46.4	Very low	230 Å²	230	148.8 Å²	148.8	87%	0.868	75%	0.754	S	S	*	*			trans	-108.3	128.7	167.4	-126.4	-178.6	-169.4	-164.8	2.9	106.9
151	F	37.9	Very low	45.2	Very low	199 Å²	199	147.2 Å²	147.2	87%	0.873	76%	0.762	S	S	*	*			trans	96.6	88.6	176.4	-67.9	-88.9	0	0	0	118
152	G	37	Very low	44.4	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	77%	0.771	S	S	*	*				67	149.3	121.1	0	0	0	0	0	119.7
153	N	41.1	Very low	43.6	Very low	124 Å²	124	142.9 Å²	142.9	66%	0.663	77%	0.773	S	S	*	*			cis	-174.9	148.2	-7.5	-158.2	7.8	0	0	0	105.7
154	R	39.9	Very low	42.4	Very low	221 Å²	221	142 Å²	142	83%	0.834	78%	0.781	S	S	*	*			trans	63.4	112.8	157	-68.3	164.3	-177.9	172	-0.2	117.5
155	G	37.8	Very low	41.3	Very low	79 Å²	79	142.5 Å²	142.5	81%	0.814	79%	0.788	S	S	*	*				102.9	139.1	74.7	0	0	0	0	0	107.2
156	R	42.1	Very low	40.4	Very low	222 Å²	222	143.4 Å²	143.4	84%	0.838	79%	0.794	S	S	*	*			cis	-169.4	152.1	22.1	-113.1	-173.3	148.6	148.9	-3.9	107.1
157	D	42.2	Very low	39.6	Very low	131 Å²	131	141.7 Å²	141.7	70%	0.701	79%	0.794	S	S	*	*			trans	39.2	140.9	130.8	-44.7	-23.4	0	0	0	119.9
158	A	42.9	Very low	38.6	Very low	72 Å²	72	140.8 Å²	140.8	60%	0.595	79%	0.793	S	S	*	*			cis	175.8	177.5	-1.5	0	0	0	0	0	109.7
159	W	41.3	Very low	38	Very low	244 Å²	244	141.7 Å²	141.7	92%	0.924	79%	0.793	S	S	*	*			trans	91.2	118.1	154	-62.3	98.1	0	0	0	121.1
160	F	35.9	Very low	38.1	Very low	206 Å²	206	144 Å²	144	90%	0.904	80%	0.797	S	S	*	*			trans	-72.3	144.6	170.7	-74.3	-103.1	0	0	0	112.2
161	A	39.7	Very low	37.7	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	79%	0.794	S	S	*	*				179.3	115.4	124.1	0	0	0	0	0	113.1
162	L	41.3	Very low	37.9	Very low	172 Å²	172	136 Å²	136	90%	0.901	79%	0.787	S	S	*	*			trans	69	153.7	138.7	-66.3	172.5	0	0	0	122.2
163	P	45.1	Very low	38	Very low	116 Å²	116	139.2 Å²	139.2	75%	0.753	79%	0.785	S	S	*	*			trans	-112.4	148.7	-149.3	38.9	-26.6	0	0	0	113.4
164	A	37.5	Very low	37.9	Very low	90 Å²	90	137.7 Å²	137.7	74%	0.744	78%	0.784	S	S	*	*			trans	-162.4	136.5	152.4	0	0	0	0	0	110.1
165	L	32.3	Very low	37.9	Very low	172 Å²	172	133.9 Å²	133.9	90%	0.901	78%	0.78	S	S	*	*			trans	5.1	125.5	156.1	-67.4	99.1	0	0	0	117.1
166	S	35.6	Very low	38.2	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	77%	0.772	S	S	*	*				162.2	110.7	121.4	-176.8	0	0	0	0	110.4
167	V	36.4	Very low	38.1	Very low	126 Å²	126	134.2 Å²	134.2	76%	0.764	77%	0.77	S	S	*	*				66.6	122.3	129.9	-175.7	0	0	0	0	119.2
168	C	28.6	Very low	38	Very low	114 Å²	114	138.9 Å²	138.9	77%	0.77	78%	0.778	S	S	*	*			trans	78.8	109.9	147.3	-88.4	0	0	0	0	120.9
169	C	29.6	Very low	37.8	Very low	108 Å²	108	143.4 Å²	143.4	73%	0.73	78%	0.784	S	S	*	*				72.8	82.2	113.3	-156.7	0	0	0	0	116.1
170	S	38.6	Very low	38	Very low	121 Å²	121	135.1 Å²	135.1	85%	0.846	76%	0.763	S	S	*	*			trans	-160.8	18.4	152.7	-83.8	0	0	0	0	115.5
171	C	29.3	Very low	38.6	Very low	120 Å²	120	129.3 Å²	129.3	81%	0.811	75%	0.753	S	S	*	*			trans	-95.4	10.6	-177.8	-66.6	0	0	0	0	115.6
172	I	41.3	Very low	38.7	Very low	143 Å²	143	132.3 Å²	132.3	73%	0.733	75%	0.751	S	S	*	*	S	Bend	trans	-88.9	-16.8	-173	-68.3	176.2	0	0	0	113.7
173	N	39.9	Very low	38.5	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	74%	0.744	S	S	*	*	S	Bend	trans	-109.5	6.3	-168.5	-89.2	-2	0	0	0	118.1
174	S	39.6	Very low	38.6	Very low	92 Å²	92	138.4 Å²	138.4	64%	0.643	75%	0.748	S	S	*	*	S	Bend	trans	-109.5	-5.1	-180	72.3	0	0	0	0	115.9
175	L	39.4	Very low	39	Very low	141 Å²	141	142.2 Å²	142.2	74%	0.738	75%	0.75	S	S	*	*	S	Bend	trans	-98	-8.5	179.6	-107.8	82.5	0	0	0	115.5
176	T	44	Very low	39.6	Very low	105 Å²	105	141.2 Å²	141.2	64%	0.644	74%	0.735	S	S	*	*	S	Bend	trans	-94.1	-14.1	-174.8	46.5	0	0	0	0	114.1
177	Y	40.4	Very low	40.2	Very low	204 Å²	204	139.6 Å²	139.6	80%	0.8	72%	0.723	S	S	*	*	S	Bend	trans	-96.9	-9.1	-177.8	-145.8	-101.2	0	0	0	115.1	S180	Y177-S180 PolarHBondContact O-OG 2.82Å
178	R	39.4	Very low	40.8	Very low	228 Å²	228	142.1 Å²	142.1	86%	0.86	72%	0.723	S	S	*	*	S	Bend	trans	-95	-10.2	179.8	-98.1	-176.1	160	-173.5	-3.4	115.1
179	K	39.3	Very low	41.6	Very low	168 Å²	168	145 Å²	145	73%	0.73	72%	0.719	S	S	*	*	S	Bend	trans	-88.6	-8.9	175.3	-84.3	-174.9	175.6	177.8	0	114.1	W183	K179-W183 PolarHBondContact O-NE1 2.84Å
180	S	45.3	Very low	42.6	Very low	70 Å²	70	142.3 Å²	142.3	49%	0.49	71%	0.705	S	S	.	*	S	Bend	trans	-87.9	-14	-176.7	52.5	0	0	0	0	114.8	Y177	Y177-S180 PolarHBondContact O-OG 2.82Å
181	A	47.3	Very low	43	Very low	83 Å²	83	142 Å²	142	69%	0.686	69%	0.689	S	S	*	*	S	Bend	trans	-94.1	-12.2	-176	0	0	0	0	0	115
182	Q	42.6	Very low	43.7	Very low	154 Å²	154	142.2 Å²	142.2	72%	0.72	68%	0.68	S	S	*	*	S	Bend	trans	-95.5	-9	-177	-159.6	171.1	8.6	0	0	114
183	W	36.5	Very low	43.8	Very low	196 Å²	196	144.9 Å²	144.9	74%	0.742	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-85.6	-4.6	-179.9	-67.3	100.2	0	0	0	114.6	K179 Q185	K179-W183 PolarHBondContact O-NE1 2.84Å; W183-Q185 PolarHBondContact O-N 3.29Å
184	R	46.8	Very low	44.2	Very low	220 Å²	220	143.3 Å²	143.3	83%	0.83	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-83.6	-0.1	-176.2	-72.3	-174.1	177.8	-175.4	-1.1	115.5
185	Q	46.5	Very low	44.4	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.794	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-116.9	6	179	-71.3	-141.8	-11.2	0	0	115.7	W183	W183-Q185 PolarHBondContact O-N 3.29Å
186	Y	44.3	Very low	44.5	Very low	151 Å²	151	149 Å²	149	59%	0.592	67%	0.671	S	S	*	*			trans	-90.4	2.4	177.1	-82.5	-83.7	0	0	0	118.6	K188	Y186-K188 VanDerWaalsContact C-N 3.32Å; Y186-K188 PolarHBondContact O-N 2.49Å
187	P	49.5	Very low	44.7	Very low	73 Å²	73	149.5 Å²	149.5	47%	0.474	67%	0.669	S	S	.	*	H	α-helix	trans	-74.3	-17.6	-177.5	26.6	-28.9	0	0	0	113.9	H191	P187-H191 PolarHBondContact O-CD2 3.31Å
188	K	48	Very low	44.9	Very low	179 Å²	179	145.1 Å²	145.1	78%	0.778	66%	0.66	S	S	*	*	H	α-helix	trans	-86.1	-19.4	-175.1	-71.3	-172.9	177.3	-178.6	0	115.8	Y186	Y186-K188 VanDerWaalsContact C-N 3.32Å; Y186-K188 PolarHBondContact O-N 2.49Å
189	Y	46.3	Very low	45.1	Very low	175 Å²	175	144.3 Å²	144.3	69%	0.686	66%	0.657	S	S	*	*	H	α-helix	trans	-99.6	-21.5	178	-71.3	-82.8	0	0	0	113.4	M192 R193	Y189-M192 PolarHBondContact O-N 3.23Å; Y189-R193 PolarHBondContact O-N 2.92Å
190	A	49.5	Very low	45.2	Very low	51 Å²	51	141.1 Å²	141.1	42%	0.421	66%	0.656	S	S	.	*	H	α-helix	trans	-69.1	-37	172.8	0	0	0	0	0	112	M192 R193 Q194	A190-M192 VanDerWaalsContact C-N 3.26Å; A190-M192 PolarHBondContact O-N 2.62Å; A190-R193 PolarHBondContact O-N 2.99Å; A190-Q194 WeakPolarHBondContact O-CG 3.23Å; A190-Q194 PolarHBondContact O-N 2.9Å; A190-Q194 VanDerWaalsContact O-N 3.08Å
191	H	48.3	Very low	45.1	Very low	113 Å²	113	145 Å²	145	52%	0.523	66%	0.664	S	S	.	*	H	α-helix	trans	-70.6	-17.1	176.5	-66.7	-43.8	0	0	0	114.3	P187 R195	P187-H191 PolarHBondContact O-CD2 3.31Å; H191-R195 WeakPolarHBondContact O-CG 3.49Å
192	M	42.9	Very low	45.2	Very low	125 Å²	125	145.6 Å²	145.6	62%	0.616	66%	0.661	S	S	*	*	H	α-helix	trans	-87.5	-29.5	175.6	-162.2	-177	-76.5	0	0	112.1	Y189 A190	Y189-M192 PolarHBondContact O-N 3.23Å; A190-M192 VanDerWaalsContact C-N 3.26Å; A190-M192 PolarHBondContact O-N 2.62Å
193	R	44.8	Very low	45.9	Very low	199 Å²	199	146.4 Å²	146.4	75%	0.751	67%	0.665	S	S	*	*	H	α-helix	trans	-74.6	-38.5	171.6	-104.5	-179.5	167.7	-176.5	-6.5	112.6	Y189 A190 R195 F196 D197	Y189-R193 PolarHBondContact O-N 2.92Å; A190-R193 PolarHBondContact O-N 2.99Å; R193-R195 PolarHBondContact O-N 2.79Å; R193-F196 PolarHBondContact O-N 3.13Å; R193-F196 VanDerWaalsContact O-N 3.12Å; R193-D197 PolarHBondContact O-N 3.1Å
194	Q	47.9	Very low	47.5	Very low	112 Å²	112	141.3 Å²	141.3	52%	0.523	65%	0.651	S	S	.	*	H	α-helix	trans	-63.7	-24.3	174.7	-76	179.6	-22.6	0	0	113.8	A190 N198	A190-Q194 WeakPolarHBondContact O-CG 3.23Å; A190-Q194 PolarHBondContact O-N 2.9Å; A190-Q194 VanDerWaalsContact O-N 3.08Å; Q194-N198 WeakPolarHBondContact O-CB 3.13Å; Q194-N198 PolarHBondContact O-N 2.74Å
195	R	43.8	Very low	48.9	Very low	200 Å²	200	134.9 Å²	134.9	76%	0.755	63%	0.629	S	S	*	*	H	α-helix	trans	-77.6	-19.1	175.9	-76.8	-174.3	-175.7	-161.3	1.5	114.1	H191 R193	H191-R195 WeakPolarHBondContact O-CG 3.49Å; R193-R195 PolarHBondContact O-N 2.79Å
196	F	41.2	Very low	50.5	Low	154 Å²	154	132 Å²	132	68%	0.675	63%	0.625	S	S	*	*	H	α-helix	trans	-94.3	-26.4	175	-91.7	-88.7	0	0	0	112.6	R193	R193-F196 PolarHBondContact O-N 3.13Å; R193-F196 VanDerWaalsContact O-N 3.12Å
197	D	47.6	Very low	52.5	Low	114 Å²	114	127.6 Å²	127.6	61%	0.61	61%	0.608	S	S	*	*	H	α-helix	trans	-81	-25.4	175	-70.8	-37	0	0	0	113.3	R193 R199	R193-D197 PolarHBondContact O-N 3.1Å; D197-R199 PolarHBondContact O-N 3.36Å
198	N	45.9	Very low	54.3	Low	113 Å²	113	128 Å²	128	60%	0.604	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-1.2	176.6	-81.9	6.4	0	0	0	114.8	Q194	Q194-N198 WeakPolarHBondContact O-CB 3.13Å; Q194-N198 PolarHBondContact O-N 2.74Å
199	R	42.4	Very low	56.3	Low	211 Å²	211	122.5 Å²	122.5	80%	0.796	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-1.7	176.6	-84.8	-178.2	169.5	178.2	-3.8	114.1	D197	D197-R199 PolarHBondContact O-N 3.36Å
200	S	41.6	Very low	58.4	Low	101 Å²	101	116 Å²	116	71%	0.706	58%	0.58	S	S	*	*			trans	-116.6	9.8	-177.4	-70.9	0	0	0	0	114.8	P202	S200-P202 WeakPolarHBondContact O-CD 3.26Å
201	F	44	Very low	60.4	Low	151 Å²	151	113.8 Å²	113.8	66%	0.662	56%	0.561	S	S	*	*	S	Bend	trans	-72.6	113.8	159.2	-75.8	-78.8	0	0	0	106.7	Q203	F201-Q203 PolarHBondContact O-N 3.15Å
202	P	49.6	Very low	62.3	Low	95 Å²	95	116.3 Å²	116.3	62%	0.617	57%	0.573	S	S	*	*			trans	-54.7	114.5	171.4	22	-29.4	0	0	0	106.7	S200 I204	S200-P202 WeakPolarHBondContact O-CD 3.26Å; P202-I204 PolarHBondContact O-N 2.99Å
203	Q	56.3	Low	64.6	Low	172 Å²	172	114.3 Å²	114.3	80%	0.804	56%	0.564	S	S	*	*			trans	-60.9	109.5	173.4	-69.2	-83.4	-25.5	0	0	105.4	F201 K205	F201-Q203 PolarHBondContact O-N 3.15Å; Q203-K205 PolarHBondContact O-N 3.46Å; Q203-K205 VanDerWaalsContact O-N 3.15Å
204	I	69.3	Low	66.8	Low	88 Å²	88	109.4 Å²	109.4	45%	0.451	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-55	123.5	173.4	-61.9	173.6	0	0	0	105.7	P202	P202-I204 PolarHBondContact O-N 2.99Å
205	K	76.2	Confident	68.7	Low	85 Å²	85	110.1 Å²	110.1	37%	0.37	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-61.9	145.6	-178.7	-67.9	175.6	-174	161.9	0	109.1	Q203 R207 Q352 E354	Q203-K205 PolarHBondContact O-N 3.46Å; Q203-K205 VanDerWaalsContact O-N 3.15Å; K205-R207 PolarHBondContact O-N 2.84Å; K205-Q352 PolarHBondContact NZ-O 3.04Å; K205-E354 WeakPolarHBondContact CD-OE1 3.42Å; K205-E354 IonicContact NZ-OE1 2.95Å; K205-E354 PolarHBondContact NZ-OE1 3.36Å; K205-E354 VanDerWaalsContact NZ-OE1 3.1Å
206	P	81.3	Confident	71	Confident	109 Å²	109	105.1 Å²	105.1	71%	0.708	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-58.8	131.3	173.1	26.7	-33.6	0	0	0	108.9	N567	P206-N567 WeakPolarHBondContact CA-OD1 3.31Å
207	R	86.3	Confident	73.5	Confident	60 Å²	60	98.8 Å²	98.8	23%	0.226	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-78.6	149.7	-179.4	-56.4	-174.7	-168.5	88.2	2.9	110.1	K205 V314 P566 N567	K205-R207 PolarHBondContact O-N 2.84Å; R207-V314 VanDerWaalsContact CZ-CG1 3.4Å; R207-P566 HydrophobicContact CB-CB 3.98Å; R207-P566 PolarHBondContact NH1-O 3.32Å; R207-P566 WeakPolarHBondContact O-CB 3.44Å; R207-N567 PolarHBondContact N-OD1 3.48Å; R207-N567 PolarHBondContact O-ND2 2.97Å
208	A	86	Confident	75.6	Confident	82 Å²	82	98.4 Å²	98.4	68%	0.678	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-74	143.8	173.5	0	0	0	0	0	110.9
209	P	90.6	Very high	77.9	Confident	62 Å²	62	96.3 Å²	96.3	40%	0.403	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-70.3	153.7	170.9	31.8	-34.8	0	0	0	110.8	V211 M563 P566	P209-V211 VanDerWaalsContact C-N 3.32Å; P209-M563 HydrophobicContact CB-CE 4.41Å; P209-P566 HydrophobicContact CB-CG 4.11Å
210	S	91.4	Very high	80.4	Confident	39 Å²	39	88.8 Å²	88.8	27%	0.273	49%	0.49	S	S	.	.	S	Bend	trans	-71.5	-27.4	178	63.8	0	0	0	0	113.4	S316 W317 D318 R333	S210-S316 PolarHBondContact N-OG 2.77Å; S210-S316 VanDerWaalsContact N-OG 3.07Å; S210-S316 PolarHBondContact OG-OG 2.92Å; S210-W317 VanDerWaalsContact OG-C 3.31Å; S210-D318 WeakPolarHBondContact CB-OD1 3.48Å; S210-D318 PolarHBondContact OG-N 3.45Å; S210-D318 PolarHBondContact OG-OD1 2.85Å; S210-R333 PolarHBondContact O-NH2 3.29Å
211	V	90.7	Very high	82.8	Confident	5 Å²	5	87.1 Å²	87.1	3%	0.03	47%	0.471	C	S	.	.	S	Bend	trans	-136.9	145.2	175.1	62.8	0	0	0	0	110.5	P209 I213 W217 D318 M563 F581	P209-V211 VanDerWaalsContact C-N 3.32Å; V211-I213 PolarHBondContact O-N 3.13Å; V211-W217 HydrophobicContact CG1-CH2 3.9Å; V211-W217 HydrophobicContact CG1-CZ3 4.04Å; V211-W217 HydrophobicContact CG2-CH2 3.75Å; V211-D318 HydrophobicContact CG1-CB 4.14Å; V211-M563 HydrophobicContact CB-CE 4.2Å; V211-M563 HydrophobicContact CG1-CE 3.07Å; V211-M563 VanDerWaalsContact O-CE 3.31Å; V211-M563 WeakPolarHBondContact O-CE 3.31Å; V211-F581 HydrophobicContact CG2-CE1 3.62Å; V211-F581 HydrophobicContact CG2-CZ 4.18Å
212	Q	89.4	Confident	85.2	Confident	165 Å²	165	85.8 Å²	85.8	77%	0.771	47%	0.467	S	S	*	.			trans	-74.8	115.2	177.4	-63.2	-173.2	13	0	0	109.8	K214	Q212-K214 PolarHBondContact O-N 2.95Å
213	I	90.1	Very high	87.3	Confident	83 Å²	83	82.2 Å²	82.2	43%	0.426	44%	0.441	S	S	.	.			trans	-72.4	111.4	179.5	-57.8	163.8	0	0	0	108.4	V211 W217 M563 Y574	V211-I213 PolarHBondContact O-N 3.13Å; I213-W217 HydrophobicContact CG2-CE3 4.18Å; I213-M563 HydrophobicContact CD1-CE 4.18Å; I213-M563 HydrophobicContact CD1-SD 4.03Å; I213-M563 HydrophobicContact CG1-CE 3.82Å; I213-M563 HydrophobicContact CG1-SD 4.31Å; I213-Y574 WeakPolarHBondContact CD1-OH 3.43Å; I213-Y574 HydrophobicContact CG2-CE1 4.08Å
214	K	90.1	Very high	89.2	Confident	96 Å²	96	79.5 Å²	79.5	42%	0.417	43%	0.429	S	S	.	.			trans	-77.1	152	175	-64	-175	178.2	-176.6	0	109.9	Q212 T216 W217 E583	Q212-K214 PolarHBondContact O-N 2.95Å; K214-T216 PolarHBondContact O-N 3.48Å; K214-W217 PolarHBondContact O-N 3.47Å; K214-E583 IonicContact NZ-OE2 2.75Å; K214-E583 PolarHBondContact NZ-OE2 3.02Å
215	S	89.4	Confident	90.3	Very high	128 Å²	128	75.9 Å²	75.9	90%	0.895	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.6	178.6	54.5	0	0	0	0	114.1	W217	S215-W217 VanDerWaalsContact C-N 3.3Å
216	T	90.4	Very high	91.1	Very high	94 Å²	94	74 Å²	74	58%	0.577	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.4	178	52.4	0	0	0	0	113.5	K214	K214-T216 PolarHBondContact O-N 3.48Å
217	W	93.6	Very high	91.7	Very high	22 Å²	22	71.7 Å²	71.7	8%	0.083	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-82.8	132.9	-176.6	-65.8	11.1	0	0	0	110.7	V211 I213 K214 S215 V561 Y574 V576 F581	V211-W217 HydrophobicContact CG1-CH2 3.9Å; V211-W217 HydrophobicContact CG1-CZ3 4.04Å; V211-W217 HydrophobicContact CG2-CH2 3.75Å; I213-W217 HydrophobicContact CG2-CE3 4.18Å; K214-W217 PolarHBondContact O-N 3.47Å; S215-W217 VanDerWaalsContact C-N 3.3Å; W217-V561 HydrophobicContact CH2-CG2 4.49Å; W217-V561 HydrophobicContact CZ3-CG1 4.4Å; W217-Y574 HydrophobicContact CB-CD1 3.98Å; W217-Y574 HydrophobicContact CE3-CD1 4.18Å; W217-Y574 HydrophobicContact CE3-CD2 4.32Å; W217-Y574 AromaticContact CE3-CG 3.94Å; W217-Y574 HydrophobicContact CE3-CG 3.94Å; W217-V576 HydrophobicContact CD2-CG1 3.53Å; W217-V576 VanDerWaalsContact CE2-CG1 3.47Å; W217-V576 HydrophobicContact CE3-CG1 3.97Å; W217-V576 HydrophobicContact CG-CG1 3.87Å; W217-V576 HydrophobicContact CH2-CG1 4.3Å; W217-V576 HydrophobicContact CZ2-CG1 3.89Å; W217-V576 HydrophobicContact CZ3-CG1 4.33Å; W217-F581 HydrophobicContact CH2-CE1 4.06Å; W217-F581 AromaticContact CH2-CZ 3.64Å; W217-F581 HydrophobicContact CH2-CZ 3.64Å; W217-F581 AromaticContact CZ2-CE1 3.95Å; W217-F581 HydrophobicContact CZ2-CE1 3.95Å; W217-F581 AromaticContact CZ2-CZ 3.64Å; W217-F581 HydrophobicContact CZ2-CZ 3.64Å
218	E	93	Very high	92.1	Very high	105 Å²	105	69 Å²	69	49%	0.491	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.1	178.7	-178.4	-177.5	-170.9	0	0	109.4	L220 Y574 K575	E218-L220 HydrophobicContact CG-CD2 4.26Å; E218-Y574 CarbonylContact O-C 3.48Å; E218-Y574 VanDerWaalsContact O-CA 3.3Å; E218-Y574 WeakPolarHBondContact O-CA 3.44Å; E218-K575 HydrophobicContact CB-CB 4.28Å; E218-K575 PolarHBondContact N-O 2.97Å; E218-K575 PolarHBondContact O-N 2.84Å
219	V	94.2	Very high	92.4	Very high	70 Å²	70	70.7 Å²	70.7	42%	0.424	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.4	173.4	-179	0	0	0	0	108.4	E222 Y574	V219-E222 HydrophobicContact CG1-CG 4.2Å; V219-Y574 HydrophobicContact CB-CE1 4.46Å; V219-Y574 HydrophobicContact CG2-CD1 3.88Å; V219-Y574 HydrophobicContact CG2-CE1 3.37Å
220	L	93.9	Very high	92.6	Very high	52 Å²	52	75.8 Å²	75.8	27%	0.272	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-51.3	-179.5	-63.9	178.4	0	0	0	112.5	E218 L555 Y560 L573 K575	E218-L220 HydrophobicContact CG-CD2 4.26Å; L220-L555 HydrophobicContact CD1-CD1 3.71Å; L220-L555 HydrophobicContact CD1-CD2 3.8Å; L220-L555 HydrophobicContact CD1-CG 4.38Å; L220-Y560 HydrophobicContact CD1-CD1 3.68Å; L220-Y560 HydrophobicContact CD1-CE1 3.51Å; L220-L573 PolarHBondContact N-O 3.48Å; L220-K575 HydrophobicContact CD1-CB 3.86Å; L220-K575 HydrophobicContact CD2-CB 4.35Å; L220-K575 HydrophobicContact CG-CB 4.09Å
221	E	93	Very high	92.8	Very high	67 Å²	67	76.6 Å²	76.6	31%	0.313	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.4	-173.6	-74.1	-77.6	-165.2	0	0	110.3	F223 K551 L573	E221-F223 HydrophobicContact CB-CE2 3.98Å; E221-F223 HydrophobicContact CB-CZ 4.14Å; E221-K551 WeakPolarHBondContact OE1-CE 3.43Å; E221-K551 IonicContact OE1-NZ 3.74Å; E221-K551 PolarHBondContact OE1-NZ 3.29Å; E221-L573 HydrophobicContact CB-CB 4.2Å; E221-L573 HydrophobicContact CB-CD2 4.4Å; E221-L573 PolarHBondContact O-N 3.04Å
222	E	94.4	Very high	92.9	Very high	123 Å²	123	80.6 Å²	80.6	58%	0.575	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.8	175.5	-55.6	-166.4	166	0	0	109.8	V219 M570 L572	V219-E222 HydrophobicContact CG1-CG 4.2Å; E222-M570 HydrophobicContact CB-CE 3.77Å; E222-M570 HydrophobicContact CG-CE 4.02Å; E222-M570 WeakPolarHBondContact OE2-CE 3.38Å; E222-L572 HydrophobicContact CB-CD2 4.14Å; E222-L572 HydrophobicContact CG-CD2 3.6Å
223	F	94.4	Very high	93.1	Very high	19 Å²	19	74.7 Å²	74.7	8%	0.083	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112	178.4	-55.8	-90	0	0	0	110.5	E221 L228 K551 L562 M570 L571 L573	E221-F223 HydrophobicContact CB-CE2 3.98Å; E221-F223 HydrophobicContact CB-CZ 4.14Å; F223-L228 HydrophobicContact CB-CD1 4.13Å; F223-L228 HydrophobicContact CB-CD2 4.42Å; F223-L228 HydrophobicContact CB-CG 4.38Å; F223-L228 HydrophobicContact CD1-CD2 4.27Å; F223-K551 HydrophobicContact CE1-CG 3.96Å; F223-K551 HydrophobicContact CZ-CB 4.03Å; F223-K551 HydrophobicContact CZ-CG 3.85Å; F223-L562 HydrophobicContact CD2-CD1 4.41Å; F223-L562 HydrophobicContact CE2-CD1 4.36Å; F223-M570 CarbonylContact O-C 3.5Å; F223-M570 WeakPolarHBondContact O-CA 3.49Å; F223-M570 WeakPolarHBondContact O-CB 3.47Å; F223-L571 HydrophobicContact CB-CB 4.15Å; F223-L571 HydrophobicContact CD2-CB 4.27Å; F223-L571 PolarHBondContact N-O 2.82Å; F223-L571 PolarHBondContact O-N 2.97Å; F223-L573 HydrophobicContact CE2-CB 4.3Å
224	E	94.4	Very high	93.1	Very high	116 Å²	116	74.5 Å²	74.5	54%	0.542	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129	170	-164.6	-171.6	156.6	0	0	110.4	S226 S227 L228	E224-S226 PolarHBondContact O-N 3.49Å; E224-S226 VanDerWaalsContact O-N 3.16Å; E224-S226 PolarHBondContact OE1-OG 3.45Å; E224-S227 WeakPolarHBondContact O-CB 3.32Å; E224-S227 PolarHBondContact O-N 2.76Å; E224-L228 PolarHBondContact O-N 2.89Å
225	L	92.7	Very high	92.7	Very high	12 Å²	12	75.4 Å²	75.4	6%	0.063	41%	0.412	C	S	.	.	H	α-helix	trans	-60.6	-29.7	-177.6	-69.9	-174.3	0	0	0	113.2	S227 L228 Q229 P569 L571	L225-S227 VanDerWaalsContact C-N 3.27Å; L225-S227 PolarHBondContact O-N 2.99Å; L225-L228 HydrophobicContact CD2-CD1 4Å; L225-L228 PolarHBondContact O-N 3.49Å; L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-N 2.95Å; L225-P569 WeakPolarHBondContact CB-O 3.44Å; L225-P569 HydrophobicContact CD1-CB 4.02Å; L225-P569 HydrophobicContact CG-CB 4.47Å; L225-P569 VanDerWaalsContact CG-O 3.29Å; L225-P569 WeakPolarHBondContact CG-O 3.3Å; L225-P569 PolarHBondContact N-O 2.81Å; L225-P569 VanDerWaalsContact N-O 3.13Å; L225-L571 HydrophobicContact CD2-CD2 4.41Å; L225-L571 HydrophobicContact CD2-CG 4.13Å
226	S	93.1	Very high	92.6	Very high	45 Å²	45	71.1 Å²	71.1	32%	0.315	38%	0.379	S	S	.	.	H	α-helix	trans	-66.4	-29.8	178	74	0	0	0	0	112.6	E224	E224-S226 PolarHBondContact O-N 3.49Å; E224-S226 VanDerWaalsContact O-N 3.16Å; E224-S226 PolarHBondContact OE1-OG 3.45Å
227	S	94.5	Very high	92.4	Very high	60 Å²	60	73.1 Å²	73.1	42%	0.42	39%	0.386	S	S	.	.	H	α-helix	trans	-76	-40.8	175.7	-65.9	0	0	0	0	111	E224 L225 Q229 K230	E224-S227 WeakPolarHBondContact O-CB 3.32Å; E224-S227 PolarHBondContact O-N 2.76Å; L225-S227 VanDerWaalsContact C-N 3.27Å; L225-S227 PolarHBondContact O-N 2.99Å; S227-Q229 VanDerWaalsContact C-N 3.28Å; S227-Q229 PolarHBondContact O-N 2.83Å; S227-K230 PolarHBondContact O-N 2.88Å; S227-K230 VanDerWaalsContact O-N 3.1Å
228	L	94.7	Very high	92.2	Very high	4 Å²	4	79 Å²	79	2%	0.021	42%	0.419	C	S	.	.	H	α-helix	trans	-61.6	-33	176.8	-66.2	-178.1	0	0	0	113	F223 E224 L225 K230 L231 T311 N540 I544 L571	F223-L228 HydrophobicContact CB-CD1 4.13Å; F223-L228 HydrophobicContact CB-CD2 4.42Å; F223-L228 HydrophobicContact CB-CG 4.38Å; F223-L228 HydrophobicContact CD1-CD2 4.27Å; E224-L228 PolarHBondContact O-N 2.89Å; L225-L228 HydrophobicContact CD2-CD1 4Å; L225-L228 PolarHBondContact O-N 3.49Å; L228-K230 PolarHBondContact O-N 3.3Å; L228-L231 HydrophobicContact CD2-CD1 3.58Å; L228-L231 WeakPolarHBondContact O-CB 3.47Å; L228-L231 PolarHBondContact O-N 3.4Å; L228-T311 HydrophobicContact CB-CG2 4.02Å; L228-N540 PolarHBondContact O-ND2 2.97Å; L228-I544 HydrophobicContact CB-CD1 4.35Å; L228-I544 HydrophobicContact CB-CG1 4.12Å; L228-I544 WeakPolarHBondContact O-CG1 3.34Å; L228-L571 HydrophobicContact CD1-CD1 3.89Å
229	Q	92.9	Very high	92.1	Very high	118 Å²	118	74.4 Å²	74.4	55%	0.551	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.7	176	-74.5	178.1	-9.7	0	0	114.2	L225 S227 T311 N540	L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-N 2.95Å; S227-Q229 VanDerWaalsContact C-N 3.28Å; S227-Q229 PolarHBondContact O-N 2.83Å; Q229-T311 HydrophobicContact CG-CG2 3.77Å; Q229-N540 PolarHBondContact O-ND2 2.81Å
230	K	94.2	Very high	92.1	Very high	169 Å²	169	75.1 Å²	75.1	74%	0.735	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.4	-179.7	-60.8	172.2	-173.2	166.4	0	112.8	S227 L228	S227-K230 PolarHBondContact O-N 2.88Å; S227-K230 VanDerWaalsContact O-N 3.1Å; L228-K230 PolarHBondContact O-N 3.3Å
231	L	95	Very high	92.1	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.288	40%	0.402	S	S	.	.			trans	-68.3	147.1	179.1	-61.1	177.3	0	0	0	110.4	L228 N540 I544 C547	L228-L231 HydrophobicContact CD2-CD1 3.58Å; L228-L231 WeakPolarHBondContact O-CB 3.47Å; L228-L231 PolarHBondContact O-N 3.4Å; L231-N540 WeakPolarHBondContact O-CA 3.33Å; L231-N540 PolarHBondContact O-ND2 3.49Å; L231-I544 HydrophobicContact CD1-CG1 4.29Å; L231-C547 HydrophobicContact CD1-CB 3.54Å
232	N	93.5	Very high	92.2	Very high	90 Å²	90	72 Å²	72	48%	0.481	39%	0.39	S	S	.	.			trans	-154.4	129	-179.3	-169.2	-28.4	0	0	0	108.9	P234 D539	N232-P234 WeakPolarHBondContact OD1-CD 3.14Å; N232-D539 WeakPolarHBondContact OD1-CB 3.47Å
233	L	92.9	Very high	92	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.215	39%	0.392	C	S	.	.			trans	-123	92.7	169.7	-173.7	69.1	0	0	0	108.5	M236 D539 W542 R546	L233-M236 HydrophobicContact CD2-CG 4.19Å; L233-M236 HydrophobicContact CD2-SD 3.9Å; L233-M236 HydrophobicContact CG-CG 4.37Å; L233-D539 PolarHBondContact N-O 3.36Å; L233-W542 HydrophobicContact CB-CB 4.11Å; L233-W542 HydrophobicContact CD2-CB 4.26Å; L233-R546 HydrophobicContact CD2-CB 4.12Å; L233-R546 HydrophobicContact CD2-CG 4.27Å
234	P	90.6	Very high	91.7	Very high	78 Å²	78	74.5 Å²	74.5	51%	0.506	41%	0.413	S	S	.	.			trans	-77.6	164.5	-178	32	-35.2	0	0	0	112	N232	N232-P234 WeakPolarHBondContact OD1-CD 3.14Å
235	S	81.2	Confident	91.7	Very high	115 Å²	115	70.4 Å²	70.4	80%	0.804	39%	0.394	S	S	*	.			trans	67.4	32.8	171.8	-43.4	0	0	0	0	115.3
236	M	87.6	Confident	91.8	Very high	39 Å²	39	71.3 Å²	71.3	19%	0.192	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.5	130.1	171.4	-80.5	-61.9	-61.7	0	0	111	L233 W417 L419 W542	L233-M236 HydrophobicContact CD2-CG 4.19Å; L233-M236 HydrophobicContact CD2-SD 3.9Å; L233-M236 HydrophobicContact CG-CG 4.37Å; M236-W417 HydrophobicContact CE-CB 4.15Å; M236-W417 HydrophobicContact CE-CG 4.4Å; M236-L419 HydrophobicContact CE-CD2 3.15Å; M236-L419 HydrophobicContact SD-CD2 3.87Å; M236-W542 HydrophobicContact CB-CG 4.38Å; M236-W542 HydrophobicContact CE-CD2 3.93Å; M236-W542 HydrophobicContact CE-CE3 3.98Å; M236-W542 HydrophobicContact CE-CH2 4.2Å; M236-W542 HydrophobicContact CE-CZ2 4.13Å; M236-W542 HydrophobicContact CE-CZ3 4.12Å; M236-W542 HydrophobicContact CG-CB 4.11Å; M236-W542 HydrophobicContact CG-CD2 4.15Å; M236-W542 HydrophobicContact CG-CG 3.77Å
237	N	87.2	Confident	91.9	Very high	135 Å²	135	70.2 Å²	70.2	72%	0.722	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-75.5	158.2	174.2	-67.1	-32.9	0	0	0	111.1
238	D	88.5	Confident	91.8	Very high	146 Å²	146	67.3 Å²	67.3	78%	0.781	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-61.3	147.8	168.2	-69.3	-30.1	0	0	0	110.5
239	G	90.3	Very high	91.7	Very high	8 Å²	8	68.6 Å²	68.6	8%	0.082	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.3	-178.6	0	0	0	0	0	111	R415 H416 W417	G239-R415 PolarHBondContact O-NE 2.82Å; G239-R415 PolarHBondContact O-NH2 3.08Å; G239-H416 WeakPolarHBondContact CA-O 3.4Å; G239-W417 VanDerWaalsContact CA-CZ2 3.49Å
240	V	94.8	Very high	91.8	Very high	86 Å²	86	63 Å²	63	52%	0.521	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.1	176.7	177.8	0	0	0	0	108.6	V242 R415 H416	V240-V242 PolarHBondContact O-N 3.45Å; V240-R415 WeakPolarHBondContact O-CA 3.07Å; V240-H416 VanDerWaalsContact CB-CE1 3.43Å; V240-H416 WeakPolarHBondContact CB-CE1 3.42Å; V240-H416 PolarHBondContact N-O 2.85Å; V240-H416 PolarHBondContact O-N 3.34Å; V240-H416 PolarHBondContact O-ND1 3.09Å
241	D	94.7	Very high	91.9	Very high	45 Å²	45	55 Å²	55	24%	0.241	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	127.4	175.6	-71.5	7.9	0	0	0	109.7	Q246 R413 R415	D241-Q246 PolarHBondContact OD2-NE2 3.29Å; D241-R413 IonicContact OD2-NH1 2.66Å; D241-R415 WeakPolarHBondContact OD1-CD 3.25Å; D241-R415 VanDerWaalsContact OD1-CG 3.26Å; D241-R415 WeakPolarHBondContact OD1-CG 3.46Å; D241-R415 IonicContact OD1-CZ 3.31Å; D241-R415 IonicContact OD1-NE 3.1Å; D241-R415 PolarHBondContact OD1-NE 3.33Å
242	V	93.9	Very high	92	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.1	175.9	178.7	0	0	0	0	108.3	V240 N244 E245 L289 Y414 H416	V240-V242 PolarHBondContact O-N 3.45Å; V242-N244 PolarHBondContact O-N 3.19Å; V242-E245 HydrophobicContact CB-CB 4.12Å; V242-E245 HydrophobicContact CB-CG 4.2Å; V242-E245 HydrophobicContact CG1-CB 4.17Å; V242-E245 HydrophobicContact CG1-CG 3.68Å; V242-E245 PolarHBondContact O-N 3.21Å; V242-L289 HydrophobicContact CG1-CD2 3.93Å; V242-Y414 WeakPolarHBondContact CB-O 3.47Å; V242-Y414 WeakPolarHBondContact CG2-O 3.24Å; V242-Y414 PolarHBondContact N-O 3.31Å; V242-H416 HydrophobicContact CG2-CB 4.22Å
243	P	90.4	Very high	92.2	Very high	95 Å²	95	50.8 Å²	50.8	62%	0.617	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	125.1	-174.7	-26.3	34.2	0	0	0	112.4	E245	P243-E245 PolarHBondContact O-N 3.38Å
244	N	88.9	Confident	92.3	Very high	100 Å²	100	52 Å²	52	54%	0.535	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.5	7.1	177.3	-53.9	-31.1	0	0	0	116.3	V242 Q246 K390 N391	V242-N244 PolarHBondContact O-N 3.19Å; N244-Q246 PolarHBondContact O-N 3.08Å; N244-K390 PolarHBondContact OD1-NZ 2.97Å; N244-K390 VanDerWaalsContact OD1-NZ 3.08Å; N244-N391 PolarHBondContact O-ND2 2.9Å
245	E	93.4	Very high	92.4	Very high	31 Å²	31	54.6 Å²	54.6	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	62	177.5	-55.7	-61.1	167.4	0	0	111	V242 P243 Y247 V285 R288 L289 Y414	V242-E245 HydrophobicContact CB-CB 4.12Å; V242-E245 HydrophobicContact CB-CG 4.2Å; V242-E245 HydrophobicContact CG1-CB 4.17Å; V242-E245 HydrophobicContact CG1-CG 3.68Å; V242-E245 PolarHBondContact O-N 3.21Å; P243-E245 PolarHBondContact O-N 3.38Å; E245-Y247 HydrophobicContact CB-CE2 4.19Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.37Å; E245-Y247 VanDerWaalsContact OE2-CZ 3.26Å; E245-Y247 PolarHBondContact OE2-OH 3.19Å; E245-V285 HydrophobicContact CB-CG1 4.43Å; E245-V285 HydrophobicContact CG-CG1 4.37Å; E245-V285 VanDerWaalsContact OE2-CG1 3.26Å; E245-V285 WeakPolarHBondContact OE2-CG1 3.43Å; E245-R288 IonicContact OE2-NH2 3Å; E245-R288 PolarHBondContact OE2-NH2 2.94Å; E245-L289 HydrophobicContact CG-CD2 4.27Å; E245-Y414 HydrophobicContact CB-CD2 3.97Å; E245-Y414 HydrophobicContact CB-CG 4.25Å; E245-Y414 WeakPolarHBondContact O-CD2 3.26Å; E245-Y414 PolarHBondContact O-N 2.92Å
246	Q	94.9	Very high	93	Very high	31 Å²	31	51.8 Å²	51.8	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.8	173.5	-66.3	176.7	-13	0	0	108.8	D241 N244 F389 N391 Y412 R413	D241-Q246 PolarHBondContact OD2-NE2 3.29Å; N244-Q246 PolarHBondContact O-N 3.08Å; Q246-F389 HydrophobicContact CB-CB 4.09Å; Q246-F389 HydrophobicContact CB-CD1 3.79Å; Q246-F389 HydrophobicContact CB-CG 4.2Å; Q246-F389 HydrophobicContact CG-CD1 4.39Å; Q246-N391 WeakPolarHBondContact O-CB 3.45Å; Q246-N391 PolarHBondContact O-N 2.85Å; Q246-Y412 WeakPolarHBondContact CA-O 3.36Å; Q246-R413 HydrophobicContact CG-CG 4.37Å
247	Y	95.2	Very high	93.4	Very high	21 Å²	21	51 Å²	51	8%	0.082	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.5	-169.7	-63.8	-95.5	0	0	0	113.5	E245 V285 R288 F389 N391 P395 G411 Y412 Y414	E245-Y247 HydrophobicContact CB-CE2 4.19Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.37Å; E245-Y247 VanDerWaalsContact OE2-CZ 3.26Å; E245-Y247 PolarHBondContact OE2-OH 3.19Å; Y247-V285 HydrophobicContact CD2-CG2 4.34Å; Y247-V285 HydrophobicContact CE1-CG2 4.47Å; Y247-V285 HydrophobicContact CE2-CG1 4.07Å; Y247-V285 HydrophobicContact CE2-CG2 3.74Å; Y247-R288 PolarHBondContact OH-NH2 2.86Å; Y247-F389 WeakPolarHBondContact O-CD2 3.19Å; Y247-N391 CarbonylContact C-O 3.6Å; Y247-N391 WeakPolarHBondContact CA-O 3.28Å; Y247-N391 HydrophobicContact CD1-CB 3.42Å; Y247-N391 VanDerWaalsContact CD1-CB 3.42Å; Y247-N391 HydrophobicContact CE1-CB 3.6Å; Y247-N391 WeakPolarHBondContact CE1-ND2 3.49Å; Y247-N391 HydrophobicContact CG-CB 4.12Å; Y247-N391 VanDerWaalsContact CZ-ND2 3.26Å; Y247-N391 PolarHBondContact OH-ND2 3.42Å; Y247-P395 HydrophobicContact CD1-CB 3.95Å; Y247-P395 HydrophobicContact CD1-CG 4.13Å; Y247-P395 HydrophobicContact CD2-CG 4.48Å; Y247-P395 HydrophobicContact CE1-CB 4.13Å; Y247-P395 HydrophobicContact CG-CB 4.35Å; Y247-P395 HydrophobicContact CG-CG 4.04Å; Y247-G411 WeakPolarHBondContact O-CA 3.28Å; Y247-Y412 PolarHBondContact N-O 3.05Å; Y247-Y412 PolarHBondContact O-N 2.91Å; Y247-Y414 HydrophobicContact CD2-CD2 4.11Å; Y247-Y414 AromaticContact CD2-CE2 3.71Å; Y247-Y414 HydrophobicContact CD2-CE2 3.71Å; Y247-Y414 HydrophobicContact CE2-CD2 4.21Å; Y247-Y414 AromaticContact CE2-CE2 3.96Å; Y247-Y414 HydrophobicContact CE2-CE2 3.96Å
248	G	93.4	Very high	93.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.7	-174.1	173.5	0	0	0	0	0	114.6	F389 N391 P392 D393	G248-F389 WeakPolarHBondContact O-CD2 3.38Å; G248-F389 PolarHBondContact O-N 2.86Å; G248-N391 PolarHBondContact N-O 3.35Å; G248-P392 CarbonylContact C-O 3.48Å; G248-P392 WeakPolarHBondContact CA-O 3.42Å; G248-D393 PolarHBondContact N-O 3.37Å
249	S	93	Very high	94	Very high	31 Å²	31	50.2 Å²	50.2	22%	0.217	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.1	178.5	63.1	0	0	0	0	110.9	Y387 V410	S249-Y387 CarbonylContact C-O 3.55Å; S249-Y387 WeakPolarHBondContact CA-O 3.44Å; S249-V410 PolarHBondContact O-N 2.85Å
250	L	95.3	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.8	-177.4	-62.2	175.3	0	0	0	110.3	K386 Y387 F389 G411 H431 A434 F444	L250-K386 CarbonylContact O-C 3.53Å; L250-K386 WeakPolarHBondContact O-CA 3.39Å; L250-K386 WeakPolarHBondContact O-CB 3.31Å; L250-Y387 HydrophobicContact CD1-CD1 4.42Å; L250-Y387 PolarHBondContact N-O 2.85Å; L250-Y387 PolarHBondContact O-N 3.07Å; L250-F389 HydrophobicContact CD1-CE2 3.55Å; L250-F389 HydrophobicContact CD1-CZ 3.75Å; L250-F389 HydrophobicContact CD2-CE2 4.49Å; L250-F389 HydrophobicContact CG-CE2 3.74Å; L250-F389 HydrophobicContact CG-CZ 4.44Å; L250-G411 VanDerWaalsContact CD2-N 3.27Å; L250-H431 HydrophobicContact CD1-CB 4.09Å; L250-H431 HydrophobicContact CD2-CB 4.19Å; L250-H431 VanDerWaalsContact CD2-O 3.24Å; L250-H431 WeakPolarHBondContact CD2-O 3.46Å; L250-A434 HydrophobicContact CB-CB 4.03Å; L250-A434 HydrophobicContact CD1-CB 4.29Å; L250-F444 HydrophobicContact CD1-CD1 3.64Å; L250-F444 HydrophobicContact CD1-CE1 3.93Å
251	E	95.8	Very high	94.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	150.2	167.7	-72.5	171.7	178.3	0	0	110.7	R273 L380 K386 S409 A434	E251-R273 IonicContact OE1-CZ 3.8Å; E251-R273 VanDerWaalsContact OE1-CZ 3.32Å; E251-R273 IonicContact OE1-NH1 3.36Å; E251-R273 PolarHBondContact OE1-NH1 3.36Å; E251-R273 IonicContact OE1-NH2 2.74Å; E251-R273 PolarHBondContact OE1-NH2 3.45Å; E251-R273 IonicContact OE2-CZ 3.75Å; E251-R273 IonicContact OE2-NH1 3.77Å; E251-R273 PolarHBondContact OE2-NH1 3.14Å; E251-R273 IonicContact OE2-NH2 3.83Å; E251-R273 PolarHBondContact OE2-NH2 2.92Å; E251-L380 HydrophobicContact CB-CB 3.85Å; E251-L380 HydrophobicContact CB-CD1 4.05Å; E251-L380 HydrophobicContact CB-CG 4.45Å; E251-K386 HydrophobicContact CG-CD 3.82Å; E251-K386 HydrophobicContact CG-CG 3.84Å; E251-K386 WeakPolarHBondContact OE1-CE 3.46Å; E251-K386 IonicContact OE1-NZ 3.38Å; E251-K386 PolarHBondContact OE1-NZ 2.83Å; E251-S409 PolarHBondContact N-OG 3.1Å; E251-A434 PolarHBondContact O-N 3.24Å
252	Y	96.9	Very high	93.9	Very high	46 Å²	46	47.9 Å²	47.9	18%	0.18	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-77.8	139.6	177.6	-73.2	-74.8	0	0	0	111.4	K381 E385 A434 L436	Y252-K381 WeakPolarHBondContact O-CG 3.41Å; Y252-K381 PolarHBondContact O-N 2.82Å; Y252-E385 WeakPolarHBondContact CD2-O 3.26Å; Y252-A434 CarbonylContact C-O 3.58Å; Y252-A434 VanDerWaalsContact CA-O 3.28Å; Y252-A434 WeakPolarHBondContact CA-O 3.47Å; Y252-A434 HydrophobicContact CD1-CB 4.02Å; Y252-A434 HydrophobicContact CE1-CB 4.07Å; Y252-L436 HydrophobicContact CD1-CG 4.23Å; Y252-L436 HydrophobicContact CE1-CD2 3.84Å; Y252-L436 HydrophobicContact CE1-CG 3.81Å
253	Y	96.8	Very high	93.7	Very high	10 Å²	10	58.9 Å²	58.9	4%	0.039	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-67.3	132.6	177.4	-179.8	-99.7	0	0	0	112.2	R255 D258 V379 L380 A434 M435 L445 I447 K502	Y253-R255 HydrophobicContact CD1-CG 4.34Å; Y253-R255 PolarHBondContact O-N 3.31Å; Y253-D258 WeakPolarHBondContact CE1-OD2 3.48Å; Y253-D258 PolarHBondContact OH-OD1 3.15Å; Y253-V379 HydrophobicContact CD2-CB 4.27Å; Y253-V379 HydrophobicContact CD2-CG2 4.11Å; Y253-V379 WeakPolarHBondContact CD2-O 3.19Å; Y253-V379 HydrophobicContact CE2-CB 3.77Å; Y253-V379 HydrophobicContact CE2-CG2 3.87Å; Y253-L380 HydrophobicContact CD2-CD2 4.39Å; Y253-A434 PolarHBondContact N-O 3.18Å; Y253-M435 HydrophobicContact CD1-SD 4.43Å; Y253-L445 HydrophobicContact CD2-CD1 4.17Å; Y253-L445 HydrophobicContact CG-CD1 3.9Å; Y253-I447 HydrophobicContact CD2-CD1 4.45Å; Y253-K502 HydrophobicContact CD1-CD 4.29Å; Y253-K502 HydrophobicContact CD2-CD 3.98Å; Y253-K502 HydrophobicContact CE1-CD 3.95Å; Y253-K502 VanDerWaalsContact CE1-NZ 3.34Å; Y253-K502 HydrophobicContact CE2-CD 3.6Å; Y253-K502 HydrophobicContact CG-CD 4.31Å
254	E	95.2	Very high	93.8	Very high	68 Å²	68	58 Å²	58	32%	0.318	27%	0.267	S	S	.	.			trans	-84.7	103.8	176.6	-162.6	-169.5	156.6	0	0	110.8	S256 Y257 V379 K381	E254-S256 VanDerWaalsContact CG-OG 3.32Å; E254-S256 WeakPolarHBondContact CG-OG 3.47Å; E254-S256 PolarHBondContact O-N 2.96Å; E254-S256 WeakPolarHBondContact OE1-CB 3.11Å; E254-S256 PolarHBondContact OE1-OG 2.89Å; E254-Y257 HydrophobicContact CB-CD2 3.95Å; E254-Y257 HydrophobicContact CB-CE2 4.23Å; E254-Y257 HydrophobicContact CG-CD2 4.4Å; E254-Y257 PolarHBondContact O-N 3.47Å; E254-Y257 VanDerWaalsContact O-N 3.16Å; E254-Y257 WeakPolarHBondContact OE2-CE2 3.43Å; E254-V379 PolarHBondContact N-O 3.39Å; E254-K381 HydrophobicContact CB-CG 3.74Å; E254-K381 HydrophobicContact CG-CG 4.01Å
255	R	93.7	Very high	93.9	Very high	132 Å²	132	57 Å²	57	50%	0.498	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.3	-179.1	-65.9	-177	176.8	-171.7	0.6	114.9	Y253 Y257 D258 M435 L436	Y253-R255 HydrophobicContact CD1-CG 4.34Å; Y253-R255 PolarHBondContact O-N 3.31Å; R255-Y257 VanDerWaalsContact C-N 3.26Å; R255-Y257 PolarHBondContact O-N 2.75Å; R255-D258 PolarHBondContact O-N 2.8Å; R255-M435 HydrophobicContact CG-SD 4.46Å; R255-L436 PolarHBondContact NH2-O 2.8Å
256	S	93.8	Very high	94	Very high	56 Å²	56	57.4 Å²	57.4	39%	0.392	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.2	174.6	67.5	0	0	0	0	111.6	E254 D258 R259	E254-S256 VanDerWaalsContact CG-OG 3.32Å; E254-S256 WeakPolarHBondContact CG-OG 3.47Å; E254-S256 PolarHBondContact O-N 2.96Å; E254-S256 WeakPolarHBondContact OE1-CB 3.11Å; E254-S256 PolarHBondContact OE1-OG 2.89Å; S256-D258 PolarHBondContact O-N 3Å; S256-R259 WeakPolarHBondContact O-CB 3.39Å; S256-R259 PolarHBondContact O-N 3.01Å
257	Y	95.7	Very high	94.1	Very high	22 Å²	22	59.7 Å²	59.7	9%	0.086	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-65.6	-25	179.6	-78.8	-95.3	0	0	0	113.2	E254 R255 R259 I260 V266 Q378 V379 I519 T522	E254-Y257 HydrophobicContact CB-CD2 3.95Å; E254-Y257 HydrophobicContact CB-CE2 4.23Å; E254-Y257 HydrophobicContact CG-CD2 4.4Å; E254-Y257 PolarHBondContact O-N 3.47Å; E254-Y257 VanDerWaalsContact O-N 3.16Å; E254-Y257 WeakPolarHBondContact OE2-CE2 3.43Å; R255-Y257 VanDerWaalsContact C-N 3.26Å; R255-Y257 PolarHBondContact O-N 2.75Å; Y257-R259 PolarHBondContact O-N 3.48Å; Y257-I260 HydrophobicContact CD1-CD1 3.3Å; Y257-I260 HydrophobicContact CE1-CD1 4Å; Y257-I260 HydrophobicContact CG-CD1 3.98Å; Y257-I260 WeakPolarHBondContact O-CB 3.21Å; Y257-I260 VanDerWaalsContact O-CG1 3.32Å; Y257-I260 WeakPolarHBondContact O-CG1 3.23Å; Y257-I260 PolarHBondContact O-N 3.24Å; Y257-V266 HydrophobicContact CE1-CG1 4.38Å; Y257-Q378 HydrophobicContact CE1-CG 4.23Å; Y257-Q378 VanDerWaalsContact OH-CG 3.32Å; Y257-Q378 WeakPolarHBondContact OH-CG 3.24Å; Y257-Q378 PolarHBondContact OH-O 3.05Å; Y257-Q378 VanDerWaalsContact OH-O 3.09Å; Y257-V379 HydrophobicContact CD1-CB 4.45Å; Y257-V379 HydrophobicContact CD1-CG1 3.72Å; Y257-V379 HydrophobicContact CD2-CB 4.43Å; Y257-V379 HydrophobicContact CE1-CG1 4.11Å; Y257-V379 HydrophobicContact CG-CB 4.28Å; Y257-V379 HydrophobicContact CG-CG1 3.99Å; Y257-I519 HydrophobicContact CE1-CD1 4.12Å; Y257-T522 PolarHBondContact O-OG1 2.81Å
258	D	94.3	Very high	94.2	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.353	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-66.1	-14.1	173.9	-69.9	-31.4	0	0	0	113.1	Y253 R255 S256 K502 T522	Y253-D258 WeakPolarHBondContact CE1-OD2 3.48Å; Y253-D258 PolarHBondContact OH-OD1 3.15Å; R255-D258 PolarHBondContact O-N 2.8Å; S256-D258 PolarHBondContact O-N 3Å; D258-K502 VanDerWaalsContact CG-NZ 3.28Å; D258-K502 IonicContact OD1-NZ 2.65Å; D258-K502 PolarHBondContact OD1-NZ 2.8Å; D258-K502 IonicContact OD2-NZ 3.21Å; D258-K502 PolarHBondContact OD2-NZ 2.91Å; D258-T522 WeakPolarHBondContact CA-OG1 3.36Å; D258-T522 PolarHBondContact OD1-OG1 3.4Å; D258-T522 VanDerWaalsContact OD1-OG1 3.13Å
259	R	94.2	Very high	94.2	Very high	198 Å²	198	64.5 Å²	64.5	75%	0.747	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-97.8	7.4	178.5	-52.6	-176.8	-168.5	-174.7	3	113.2	S256 Y257 T261 N264	S256-R259 WeakPolarHBondContact O-CB 3.39Å; S256-R259 PolarHBondContact O-N 3.01Å; Y257-R259 PolarHBondContact O-N 3.48Å; R259-T261 PolarHBondContact O-N 3Å; R259-N264 PolarHBondContact O-ND2 2.95Å
260	I	94.3	Very high	94.2	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.041	33%	0.327	C	S	.	.			trans	-73	127.4	177.4	-63.2	172.5	0	0	0	109.7	Y257 V266 I519 S521	Y257-I260 HydrophobicContact CD1-CD1 3.3Å; Y257-I260 HydrophobicContact CE1-CD1 4Å; Y257-I260 HydrophobicContact CG-CD1 3.98Å; Y257-I260 WeakPolarHBondContact O-CB 3.21Å; Y257-I260 VanDerWaalsContact O-CG1 3.32Å; Y257-I260 WeakPolarHBondContact O-CG1 3.23Å; Y257-I260 PolarHBondContact O-N 3.24Å; I260-V266 HydrophobicContact CD1-CB 4.15Å; I260-V266 HydrophobicContact CD1-CG2 3.67Å; I260-V266 HydrophobicContact CG1-CG2 4.05Å; I260-I519 HydrophobicContact CD1-CG2 4.09Å; I260-S521 PolarHBondContact O-OG 2.79Å
261	T	92.6	Very high	94	Very high	49 Å²	49	72.7 Å²	72.7	30%	0.301	33%	0.334	S	S	.	.			trans	-127.1	172.6	173.9	73.1	0	0	0	0	108.8	R259 R263 N264 Q265 L520	R259-T261 PolarHBondContact O-N 3Å; T261-R263 PolarHBondContact O-N 2.86Å; T261-R263 PolarHBondContact OG1-N 3.34Å; T261-N264 VanDerWaalsContact CA-OD1 3.31Å; T261-N264 WeakPolarHBondContact CA-OD1 3.45Å; T261-N264 WeakPolarHBondContact CB-OD1 3.37Å; T261-N264 PolarHBondContact N-OD1 2.63Å; T261-N264 CarbonylContact O-C 3.33Å; T261-N264 PolarHBondContact O-N 3.2Å; T261-N264 VanDerWaalsContact O-N 3.12Å; T261-N264 PolarHBondContact O-OD1 3.24Å; T261-N264 VanDerWaalsContact O-OD1 3.11Å; T261-N264 PolarHBondContact OG1-OD1 3.38Å; T261-Q265 PolarHBondContact O-N 3.06Å; T261-L520 CarbonylContact C-O 3.4Å
262	T	89.5	Confident	93.6	Very high	34 Å²	34	77 Å²	77	21%	0.209	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-61.5	-20.5	178.9	60.2	0	0	0	0	114.1	R464 I467 D468	T262-R464 WeakPolarHBondContact CG2-O 3.45Å; T262-I467 HydrophobicContact CG2-CG2 3.15Å; T262-D468 WeakPolarHBondContact CB-OD2 3.19Å; T262-D468 WeakPolarHBondContact CG2-OD2 3.47Å; T262-D468 PolarHBondContact N-OD2 3.02Å; T262-D468 PolarHBondContact OG1-OD2 3.08Å
263	R	90	Very high	93.2	Very high	237 Å²	237	76 Å²	76	89%	0.894	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-83.4	-26.1	179.3	-60.7	-177.8	-178.8	-175.4	0	113.2	T261	T261-R263 PolarHBondContact O-N 2.86Å; T261-R263 PolarHBondContact OG1-N 3.34Å
264	N	93.4	Very high	92.6	Very high	77 Å²	77	75.7 Å²	75.7	41%	0.412	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-124.1	47.6	179.3	63.8	-33.7	0	0	0	110.3	R259 T261	R259-N264 PolarHBondContact O-ND2 2.95Å; T261-N264 VanDerWaalsContact CA-OD1 3.31Å; T261-N264 WeakPolarHBondContact CA-OD1 3.45Å; T261-N264 WeakPolarHBondContact CB-OD1 3.37Å; T261-N264 PolarHBondContact N-OD1 2.63Å; T261-N264 CarbonylContact O-C 3.33Å; T261-N264 PolarHBondContact O-N 3.2Å; T261-N264 VanDerWaalsContact O-N 3.12Å; T261-N264 PolarHBondContact O-OD1 3.24Å; T261-N264 VanDerWaalsContact O-OD1 3.11Å; T261-N264 PolarHBondContact OG1-OD1 3.38Å
265	Q	90.8	Very high	92.4	Very high	78 Å²	78	74.2 Å²	74.2	36%	0.364	35%	0.345	S	S	.	.			trans	-61.6	143.5	175.6	61.3	-178.8	17.7	0	0	111.3	T261 L518 I519 L520	T261-Q265 PolarHBondContact O-N 3.06Å; Q265-L518 HydrophobicContact CB-CD2 4.5Å; Q265-L518 HydrophobicContact CG-CD2 4.08Å; Q265-I519 WeakPolarHBondContact CA-O 3.49Å; Q265-L520 HydrophobicContact CB-CD2 4.44Å
266	V	95	Very high	92.2	Very high	41 Å²	41	69.9 Å²	69.9	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.7	-179	178.8	0	0	0	0	108.8	Y257 I260 I519	Y257-V266 HydrophobicContact CE1-CG1 4.38Å; I260-V266 HydrophobicContact CD1-CB 4.15Å; I260-V266 HydrophobicContact CD1-CG2 3.67Å; I260-V266 HydrophobicContact CG1-CG2 4.05Å; V266-I519 PolarHBondContact N-O 2.95Å; V266-I519 PolarHBondContact O-N 3.45Å
267	P	96.6	Very high	92	Very high	79 Å²	79	70.1 Å²	70.1	51%	0.513	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.1	174	27.5	-33.8	0	0	0	110.9	M269 Q378 L518	P267-M269 PolarHBondContact O-N 3.49Å; P267-Q378 PolarHBondContact O-NE2 3.08Å; P267-L518 HydrophobicContact CB-CD2 4.45Å
268	L	96.9	Very high	91.9	Very high	21 Å²	21	70.3 Å²	70.3	11%	0.11	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.9	119	171.3	-170.5	76.4	0	0	0	108.5	I371 N374 F375 V506 H517 I519	L268-I371 HydrophobicContact CD2-CB 4.39Å; L268-I371 HydrophobicContact CD2-CG1 4.2Å; L268-I371 HydrophobicContact CD2-CG2 4.25Å; L268-N374 HydrophobicContact CD1-CB 4.19Å; L268-N374 HydrophobicContact CD2-CB 4.12Å; L268-N374 HydrophobicContact CG-CB 4.1Å; L268-F375 HydrophobicContact CD1-CB 4.02Å; L268-F375 HydrophobicContact CD1-CD2 4.43Å; L268-V506 HydrophobicContact CD2-CG1 4.23Å; L268-H517 HydrophobicContact CB-CB 3.96Å; L268-H517 HydrophobicContact CD2-CB 4.05Å; L268-H517 PolarHBondContact N-O 2.94Å; L268-I519 HydrophobicContact CB-CG1 4.49Å; L268-I519 HydrophobicContact CD1-CD1 4.04Å; L268-I519 HydrophobicContact CD1-CG1 4.1Å
269	M	94.6	Very high	91.8	Very high	100 Å²	100	67.5 Å²	67.5	49%	0.493	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-85.8	149.9	179.7	-62.5	-171	-67.3	0	0	110.4	P267 N374 Q378	P267-M269 PolarHBondContact O-N 3.49Å; M269-N374 WeakPolarHBondContact O-CB 3.3Å; M269-N374 PolarHBondContact O-OD1 2.87Å; M269-Q378 HydrophobicContact CE-CG 3.92Å
270	R	93.1	Very high	91.9	Very high	175 Å²	175	58 Å²	58	66%	0.66	28%	0.281	S	S	*	.			trans	-83.3	115.8	172	-46.2	-160.4	164.1	176.9	-3.1	107.9	Y370 S515	R270-Y370 VanDerWaalsContact CB-OH 3.27Å; R270-Y370 WeakPolarHBondContact CB-OH 3.31Å; R270-Y370 WeakPolarHBondContact CD-OH 3.45Å; R270-Y370 WeakPolarHBondContact CG-OH 3.36Å; R270-Y370 PolarHBondContact NE-OH 3.07Å; R270-S515 PolarHBondContact NH2-O 3.44Å; R270-S515 VanDerWaalsContact NH2-O 3.12Å
271	I	90.8	Very high	91.8	Very high	28 Å²	28	60.4 Å²	60.4	14%	0.144	30%	0.296	C	S	.	.			trans	-112.1	115.4	-176.8	-68	152.7	0	0	0	108.3	R273 N374 Q377 Q378 M382	I271-R273 HydrophobicContact CG2-CB 4.48Å; I271-R273 HydrophobicContact CG2-CG 3.89Å; I271-R273 PolarHBondContact O-N 2.97Å; I271-N374 WeakPolarHBondContact CD1-O 3.01Å; I271-N374 PolarHBondContact N-OD1 3.35Å; I271-Q377 HydrophobicContact CD1-CB 4.1Å; I271-Q377 HydrophobicContact CG2-CB 3.91Å; I271-Q377 HydrophobicContact CG2-CG 4.47Å; I271-Q378 VanDerWaalsContact CD1-CA 3.46Å; I271-Q378 HydrophobicContact CD1-CB 3.46Å; I271-Q378 VanDerWaalsContact CD1-CB 3.46Å; I271-Q378 HydrophobicContact CD1-CG 4.29Å; I271-M382 HydrophobicContact CB-CE 4.44Å; I271-M382 HydrophobicContact CD1-CE 3.41Å; I271-M382 VanDerWaalsContact CD1-CE 3.41Å; I271-M382 HydrophobicContact CG1-CE 3.79Å; I271-M382 HydrophobicContact CG2-CE 3.83Å
272	N	87.9	Confident	91.9	Very high	91 Å²	91	61.5 Å²	61.5	49%	0.487	30%	0.3	S	S	.	.			trans	-88.4	90	179.9	-169.4	-0.5	0	0	0	110	I601	N272-I601 WeakPolarHBondContact OD1-CD1 3.44Å
273	R	87.8	Confident	92.1	Very high	27 Å²	27	59.9 Å²	59.9	10%	0.102	29%	0.29	C	S	.	.			trans	-128.7	147.1	171.7	-71.4	-169.1	179	-175	-10.2	110.6	E251 I271 F275 R406 A408	E251-R273 IonicContact OE1-CZ 3.8Å; E251-R273 VanDerWaalsContact OE1-CZ 3.32Å; E251-R273 IonicContact OE1-NH1 3.36Å; E251-R273 PolarHBondContact OE1-NH1 3.36Å; E251-R273 IonicContact OE1-NH2 2.74Å; E251-R273 PolarHBondContact OE1-NH2 3.45Å; E251-R273 IonicContact OE2-CZ 3.75Å; E251-R273 IonicContact OE2-NH1 3.77Å; E251-R273 PolarHBondContact OE2-NH1 3.14Å; E251-R273 IonicContact OE2-NH2 3.83Å; E251-R273 PolarHBondContact OE2-NH2 2.92Å; I271-R273 HydrophobicContact CG2-CB 4.48Å; I271-R273 HydrophobicContact CG2-CG 3.89Å; I271-R273 PolarHBondContact O-N 2.97Å; R273-F275 HydrophobicContact CB-CE2 4.47Å; R273-F275 VanDerWaalsContact O-CD2 3.24Å; R273-F275 WeakPolarHBondContact O-CD2 3.2Å; R273-F275 PolarHBondContact O-N 2.99Å; R273-R406 CarbonylContact C-O 3.53Å; R273-R406 WeakPolarHBondContact CA-O 3.45Å; R273-R406 WeakPolarHBondContact CB-O 3.33Å; R273-A408 HydrophobicContact CB-CB 4.15Å
274	G	85.4	Confident	92.3	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-73.2	121.2	176.2	0	0	0	0	0	111.1	R406 A408	G274-R406 PolarHBondContact N-O 3.45Å; G274-A408 VanDerWaalsContact O-CB 3.31Å; G274-A408 WeakPolarHBondContact O-CB 3.5Å; G274-A408 PolarHBondContact O-N 3.39Å
275	F	89.8	Confident	92.4	Very high	38 Å²	38	47 Å²	47	17%	0.167	24%	0.241	C	C	.	.			trans	-108.7	126.7	172.4	-68.9	-91	0	0	0	109.1	R273 R373 Q377 A408	R273-F275 HydrophobicContact CB-CE2 4.47Å; R273-F275 VanDerWaalsContact O-CD2 3.24Å; R273-F275 WeakPolarHBondContact O-CD2 3.2Å; R273-F275 PolarHBondContact O-N 2.99Å; F275-R373 HydrophobicContact CD1-CG 4.1Å; F275-R373 HydrophobicContact CD2-CB 4.2Å; F275-R373 HydrophobicContact CD2-CG 3.88Å; F275-R373 HydrophobicContact CE1-CB 4.21Å; F275-R373 HydrophobicContact CE1-CG 4.03Å; F275-R373 HydrophobicContact CE2-CB 3.63Å; F275-R373 HydrophobicContact CE2-CG 3.82Å; F275-R373 HydrophobicContact CG-CG 4.01Å; F275-R373 HydrophobicContact CZ-CB 3.63Å; F275-R373 HydrophobicContact CZ-CG 3.88Å; F275-R373 WeakPolarHBondContact CZ-O 3.32Å; F275-Q377 HydrophobicContact CE1-CG 4.24Å; F275-Q377 HydrophobicContact CZ-CG 3.61Å; F275-A408 HydrophobicContact CD1-CB 3.75Å; F275-A408 HydrophobicContact CD2-CB 4.48Å; F275-A408 HydrophobicContact CE1-CB 3.62Å; F275-A408 HydrophobicContact CE2-CB 4.36Å; F275-A408 HydrophobicContact CG-CB 4.19Å; F275-A408 HydrophobicContact CZ-CB 3.95Å
276	Y	89.8	Confident	92.6	Very high	41 Å²	41	43.3 Å²	43.3	16%	0.161	22%	0.224	C	C	.	.			trans	-96.5	126.4	179.9	-65	-82.4	0	0	0	110.4	V394 F396 A397 S403 V407	Y276-V394 HydrophobicContact CD2-CG1 4.21Å; Y276-V394 HydrophobicContact CE2-CG1 4.25Å; Y276-F396 AromaticContact CD1-CD2 3.64Å; Y276-F396 HydrophobicContact CD1-CD2 3.64Å; Y276-F396 AromaticContact CD1-CE2 3.84Å; Y276-F396 HydrophobicContact CD1-CE2 3.84Å; Y276-F396 HydrophobicContact CD2-CD2 4.08Å; Y276-F396 AromaticContact CD2-CE2 3.54Å; Y276-F396 HydrophobicContact CD2-CE2 3.54Å; Y276-F396 HydrophobicContact CE1-CD2 4.21Å; Y276-F396 HydrophobicContact CE2-CE2 4.33Å; Y276-F396 AromaticContact CG-CD2 3.57Å; Y276-F396 HydrophobicContact CG-CD2 3.57Å; Y276-F396 AromaticContact CG-CE2 3.24Å; Y276-F396 HydrophobicContact CG-CE2 3.24Å; Y276-F396 HydrophobicContact CG-CZ 4.4Å; Y276-A397 HydrophobicContact CE2-CB 4.41Å; Y276-A397 WeakPolarHBondContact OH-CB 3.46Å; Y276-S403 PolarHBondContact OH-OG 3.34Å; Y276-V407 HydrophobicContact CD2-CG1 4.49Å; Y276-V407 HydrophobicContact CE2-CG1 3.91Å; Y276-V407 HydrophobicContact CE2-CG2 4.11Å
277	T	89.9	Confident	92.5	Very high	61 Å²	61	46.3 Å²	46.3	37%	0.374	24%	0.235	S	C	.	.			trans	-115.2	41.7	177.4	50.7	0	0	0	0	110.7	K332	T277-K332 VanDerWaalsContact O-CE 3.26Å; T277-K332 WeakPolarHBondContact O-CE 3.16Å; T277-K332 PolarHBondContact O-NZ 3.31Å
278	V	92.8	Very high	92.4	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	23%	0.234	C	C	.	.			trans	-61.1	138	-175.5	-174.9	0	0	0	0	111	D282 F396 R428	V278-D282 HydrophobicContact CG1-CB 3.65Å; V278-F396 HydrophobicContact CB-CD1 4.38Å; V278-F396 HydrophobicContact CB-CG 4.43Å; V278-F396 HydrophobicContact CG2-CB 4.07Å; V278-F396 HydrophobicContact CG2-CD1 4.06Å; V278-F396 HydrophobicContact CG2-CD2 3.72Å; V278-F396 HydrophobicContact CG2-CE1 4.47Å; V278-F396 HydrophobicContact CG2-CE2 4.18Å; V278-F396 HydrophobicContact CG2-CG 3.65Å; V278-R428 PolarHBondContact O-NH1 3.25Å; V278-R428 PolarHBondContact O-NH2 3.15Å
279	S	93.7	Very high	92.3	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.049	23%	0.234	C	C	.	.			trans	-72.4	-178.5	177.4	-145.6	0	0	0	0	112.1	D282 D331 K332	S279-D282 WeakPolarHBondContact CB-OD2 3.45Å; S279-D331 VanDerWaalsContact CB-OD1 3.25Å; S279-D331 WeakPolarHBondContact CB-OD1 3.46Å; S279-D331 VanDerWaalsContact OG-CG 3.3Å; S279-D331 PolarHBondContact OG-OD1 3.12Å; S279-K332 VanDerWaalsContact OG-CG 3.28Å; S279-K332 WeakPolarHBondContact OG-CG 3.33Å; S279-K332 PolarHBondContact OG-N 3.44Å; S279-K332 PolarHBondContact OG-O 2.89Å
280	T	95.1	Very high	92.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-76.7	-39.5	-179.5	-59.4	0	0	0	0	111.3	I286 F298 F330 D331	T280-I286 HydrophobicContact CG2-CD1 3.8Å; T280-I286 HydrophobicContact CG2-CG2 4.16Å; T280-F298 HydrophobicContact CG2-CB 4.02Å; T280-F330 WeakPolarHBondContact CB-O 3.49Å; T280-F330 PolarHBondContact OG1-O 3.15Å; T280-D331 WeakPolarHBondContact CB-OD1 3.3Å; T280-D331 PolarHBondContact N-OD1 3.35Å
281	T	93.3	Very high	92.2	Very high	58 Å²	58	42.9 Å²	42.9	36%	0.356	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-34.9	-179	49.5	0	0	0	0	112.5	D283 F329 D331	T281-D283 PolarHBondContact O-N 3.17Å; T281-F329 HydrophobicContact CG2-CB 4.39Å; T281-D331 WeakPolarHBondContact CB-OD2 3.46Å; T281-D331 HydrophobicContact CG2-CB 4.42Å; T281-D331 WeakPolarHBondContact CG2-OD2 3.42Å; T281-D331 PolarHBondContact N-OD1 3.48Å; T281-D331 PolarHBondContact OG1-OD1 3.08Å; T281-D331 PolarHBondContact OG1-OD2 3.3Å
282	D	92.9	Very high	92.1	Very high	72 Å²	72	42.8 Å²	42.8	39%	0.385	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.4	176.9	-56.4	-37.2	0	0	0	113.9	V278 S279 P284	V278-D282 HydrophobicContact CG1-CB 3.65Å; S279-D282 WeakPolarHBondContact CB-OD2 3.45Å; D282-P284 WeakPolarHBondContact O-CD 3.31Å
283	D	94.7	Very high	91.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.			trans	-84.4	113.9	-178.7	-172.6	-46.1	0	0	0	111.1	T281 V285 I286 E287 Y414 R428	T281-D283 PolarHBondContact O-N 3.17Å; D283-V285 PolarHBondContact O-N 3.36Å; D283-V285 WeakPolarHBondContact OD1-CA 3.44Å; D283-V285 VanDerWaalsContact OD1-CB 3.32Å; D283-V285 WeakPolarHBondContact OD1-CB 3.43Å; D283-V285 PolarHBondContact OD1-N 3.44Å; D283-I286 HydrophobicContact CB-CB 4.01Å; D283-I286 HydrophobicContact CB-CD1 3.98Å; D283-I286 HydrophobicContact CB-CG1 3.87Å; D283-I286 PolarHBondContact O-N 2.59Å; D283-I286 VanDerWaalsContact O-N 3.16Å; D283-I286 PolarHBondContact OD1-N 3.41Å; D283-I286 VanDerWaalsContact OD1-N 3.17Å; D283-E287 PolarHBondContact O-N 3.32Å; D283-Y414 VanDerWaalsContact CG-OH 3.25Å; D283-Y414 PolarHBondContact OD1-OH 3.04Å; D283-Y414 PolarHBondContact OD2-OH 2.92Å; D283-R428 WeakPolarHBondContact OD2-CD 3.35Å; D283-R428 IonicContact OD2-CZ 3.6Å; D283-R428 IonicContact OD2-NE 3.7Å; D283-R428 IonicContact OD2-NH1 3.43Å; D283-R428 PolarHBondContact OD2-NH1 3.29Å
284	P	94.5	Very high	91.9	Very high	41 Å²	41	52.2 Å²	52.2	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-67.8	-24.7	-175.4	27.1	-34.7	0	0	0	112.8	D282 R288 P395	D282-P284 WeakPolarHBondContact O-CD 3.31Å; P284-R288 WeakPolarHBondContact O-CG 3.16Å; P284-R288 PolarHBondContact O-N 2.62Å; P284-R288 VanDerWaalsContact O-N 3.13Å; P284-P395 HydrophobicContact CG-CB 4.41Å; P284-P395 WeakPolarHBondContact CG-O 3.31Å
285	V	94.7	Very high	92.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-73.2	-43.8	175.7	-177	0	0	0	0	109.7	E245 Y247 D283 E287 R288 L289 P395 Y414	E245-V285 HydrophobicContact CB-CG1 4.43Å; E245-V285 HydrophobicContact CG-CG1 4.37Å; E245-V285 VanDerWaalsContact OE2-CG1 3.26Å; E245-V285 WeakPolarHBondContact OE2-CG1 3.43Å; Y247-V285 HydrophobicContact CD2-CG2 4.34Å; Y247-V285 HydrophobicContact CE1-CG2 4.47Å; Y247-V285 HydrophobicContact CE2-CG1 4.07Å; Y247-V285 HydrophobicContact CE2-CG2 3.74Å; D283-V285 PolarHBondContact O-N 3.36Å; D283-V285 WeakPolarHBondContact OD1-CA 3.44Å; D283-V285 VanDerWaalsContact OD1-CB 3.32Å; D283-V285 WeakPolarHBondContact OD1-CB 3.43Å; D283-V285 PolarHBondContact OD1-N 3.44Å; V285-E287 VanDerWaalsContact C-N 3.3Å; V285-E287 PolarHBondContact O-N 2.77Å; V285-R288 PolarHBondContact O-N 2.95Å; V285-L289 HydrophobicContact CG1-CD1 4.11Å; V285-L289 HydrophobicContact CG1-CG 4.41Å; V285-L289 VanDerWaalsContact O-CG 3.3Å; V285-L289 WeakPolarHBondContact O-CG 3.24Å; V285-L289 PolarHBondContact O-N 2.92Å; V285-P395 HydrophobicContact CG2-CB 3.55Å; V285-P395 HydrophobicContact CG2-CG 3.83Å; V285-Y414 HydrophobicContact CB-CD1 4.48Å; V285-Y414 HydrophobicContact CB-CD2 4.47Å; V285-Y414 HydrophobicContact CB-CE1 3.82Å; V285-Y414 HydrophobicContact CB-CE2 3.81Å; V285-Y414 VanDerWaalsContact CB-CZ 3.43Å; V285-Y414 WeakPolarHBondContact CB-OH 3.41Å; V285-Y414 HydrophobicContact CG1-CD1 4.01Å; V285-Y414 HydrophobicContact CG1-CD2 3.77Å; V285-Y414 HydrophobicContact CG1-CE1 3.84Å; V285-Y414 HydrophobicContact CG1-CE2 3.6Å; V285-Y414 HydrophobicContact CG1-CG 3.98Å; V285-Y414 HydrophobicContact CG2-CE2 3.94Å
286	I	95.4	Very high	92.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.5	-62.2	-173.6	0	0	0	110.2	T280 D283 R288 L289 A290 F298 F329 Y414 R428	T280-I286 HydrophobicContact CG2-CD1 3.8Å; T280-I286 HydrophobicContact CG2-CG2 4.16Å; D283-I286 HydrophobicContact CB-CB 4.01Å; D283-I286 HydrophobicContact CB-CD1 3.98Å; D283-I286 HydrophobicContact CB-CG1 3.87Å; D283-I286 PolarHBondContact O-N 2.59Å; D283-I286 VanDerWaalsContact O-N 3.16Å; D283-I286 PolarHBondContact OD1-N 3.41Å; D283-I286 VanDerWaalsContact OD1-N 3.17Å; I286-R288 PolarHBondContact O-N 2.81Å; I286-L289 PolarHBondContact O-N 3.12Å; I286-A290 WeakPolarHBondContact O-CB 3.36Å; I286-A290 PolarHBondContact O-N 3.07Å; I286-F298 HydrophobicContact CG2-CB 3.73Å; I286-F298 HydrophobicContact CG2-CD1 3.74Å; I286-F298 HydrophobicContact CG2-CG 3.86Å; I286-F329 HydrophobicContact CG2-CD1 4.49Å; I286-F329 HydrophobicContact CG2-CE1 4.4Å; I286-Y414 HydrophobicContact CD1-CE1 4.28Å; I286-Y414 HydrophobicContact CG1-CD1 4.18Å; I286-Y414 HydrophobicContact CG1-CE1 3.66Å; I286-R428 HydrophobicContact CD1-CB 4.45Å
287	E	93.9	Very high	93	Very high	104 Å²	104	50.5 Å²	50.5	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-56.6	-48.9	175.3	-170.7	-175.5	-175	0	0	111.5	D283 V285 L289 A290 I291	D283-E287 PolarHBondContact O-N 3.32Å; V285-E287 VanDerWaalsContact C-N 3.3Å; V285-E287 PolarHBondContact O-N 2.77Å; E287-L289 PolarHBondContact O-N 3.27Å; E287-A290 CarbonylContact O-C 3.52Å; E287-A290 PolarHBondContact O-N 2.88Å; E287-I291 PolarHBondContact O-N 2.87Å
288	R	93.9	Very high	93.4	Very high	133 Å²	133	47.6 Å²	47.6	50%	0.502	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-45	176.3	-70	-175.2	-46.1	-164.3	8.1	112.4	E245 Y247 P284 V285 I286 A290 I291	E245-R288 IonicContact OE2-NH2 3Å; E245-R288 PolarHBondContact OE2-NH2 2.94Å; Y247-R288 PolarHBondContact OH-NH2 2.86Å; P284-R288 WeakPolarHBondContact O-CG 3.16Å; P284-R288 PolarHBondContact O-N 2.62Å; P284-R288 VanDerWaalsContact O-N 3.13Å; V285-R288 PolarHBondContact O-N 2.95Å; I286-R288 PolarHBondContact O-N 2.81Å; R288-A290 PolarHBondContact O-N 2.98Å; R288-I291 WeakPolarHBondContact O-CB 3.31Å; R288-I291 PolarHBondContact O-N 2.75Å; R288-I291 VanDerWaalsContact O-N 3.11Å
289	L	93.8	Very high	93.6	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-32.7	177.1	-68.3	176	0	0	0	111.7	V242 E245 V285 I286 E287 I291 G292 Y295 F298 Y414 V426	V242-L289 HydrophobicContact CG1-CD2 3.93Å; E245-L289 HydrophobicContact CG-CD2 4.27Å; V285-L289 HydrophobicContact CG1-CD1 4.11Å; V285-L289 HydrophobicContact CG1-CG 4.41Å; V285-L289 VanDerWaalsContact O-CG 3.3Å; V285-L289 WeakPolarHBondContact O-CG 3.24Å; V285-L289 PolarHBondContact O-N 2.92Å; I286-L289 PolarHBondContact O-N 3.12Å; E287-L289 PolarHBondContact O-N 3.27Å; L289-I291 VanDerWaalsContact C-N 3.28Å; L289-I291 PolarHBondContact O-N 2.89Å; L289-G292 PolarHBondContact O-N 3.35Å; L289-Y295 HydrophobicContact CB-CD2 4.43Å; L289-Y295 HydrophobicContact CD2-CE2 4.16Å; L289-F298 HydrophobicContact CB-CE1 4.2Å; L289-Y414 HydrophobicContact CD1-CD1 4.23Å; L289-Y414 HydrophobicContact CD1-CG 4.38Å; L289-V426 HydrophobicContact CD1-CG1 4.09Å
290	A	93.2	Very high	93.8	Very high	15 Å²	15	46.1 Å²	46.1	12%	0.124	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.6	175.7	0	0	0	0	0	113.8	I286 E287 R288 F298 K327 F329	I286-A290 WeakPolarHBondContact O-CB 3.36Å; I286-A290 PolarHBondContact O-N 3.07Å; E287-A290 CarbonylContact O-C 3.52Å; E287-A290 PolarHBondContact O-N 2.88Å; R288-A290 PolarHBondContact O-N 2.98Å; A290-F298 HydrophobicContact CB-CD2 4.43Å; A290-F298 HydrophobicContact CB-CE1 4.24Å; A290-F298 HydrophobicContact CB-CE2 3.86Å; A290-F298 HydrophobicContact CB-CZ 3.75Å; A290-K327 WeakPolarHBondContact O-CE 3.39Å; A290-K327 PolarHBondContact O-NZ 3.38Å; A290-F329 HydrophobicContact CB-CE1 3.7Å; A290-F329 HydrophobicContact CB-CZ 3.73Å
291	I	92.8	Very high	93.8	Very high	137 Å²	137	46.3 Å²	46.3	70%	0.703	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-34	165.3	-64.8	168	0	0	0	109.9	E287 R288 L289	E287-I291 PolarHBondContact O-N 2.87Å; R288-I291 WeakPolarHBondContact O-CB 3.31Å; R288-I291 PolarHBondContact O-N 2.75Å; R288-I291 VanDerWaalsContact O-N 3.11Å; L289-I291 VanDerWaalsContact C-N 3.28Å; L289-I291 PolarHBondContact O-N 2.89Å
292	G	88.9	Confident	94	Very high	26 Å²	26	44.5 Å²	44.5	27%	0.268	22%	0.223	S	C	.	.	S	Bend	trans	-59.3	159.8	176.2	0	0	0	0	0	113.6	L289 K327	L289-G292 PolarHBondContact O-N 3.35Å; G292-K327 WeakPolarHBondContact O-CE 3.46Å; G292-K327 PolarHBondContact O-NZ 3.42Å
293	K	83.4	Confident	94.2	Very high	200 Å²	200	41 Å²	41	87%	0.87	20%	0.204	S	C	*	.	S	Bend	trans	-94.1	-5.9	175.7	-70.1	-176	-180	177.6	0	113.3
294	D	87.9	Confident	94.3	Very high	116 Å²	116	41 Å²	41	62%	0.62	20%	0.204	S	C	*	.	S	Bend	trans	-78.4	-24.4	-168.8	-53.5	-34.5	0	0	0	112.4	E424	D294-E424 WeakPolarHBondContact O-CB 3.36Å; D294-E424 WeakPolarHBondContact O-CG 3.32Å
295	Y	94.5	Very high	94.5	Very high	31 Å²	31	39.1 Å²	39.1	12%	0.122	19%	0.192	C	C	.	.			trans	-125.5	145.3	-173.7	-49.6	-60.9	0	0	0	111.6	L289 K327 H416 E424 V426	L289-Y295 HydrophobicContact CB-CD2 4.43Å; L289-Y295 HydrophobicContact CD2-CE2 4.16Å; Y295-K327 WeakPolarHBondContact O-CE 3.26Å; Y295-H416 HydrophobicContact CD1-CB 4.31Å; Y295-H416 HydrophobicContact CE1-CB 3.8Å; Y295-H416 AromaticContact CE1-CD2 4Å; Y295-H416 AromaticContact CE1-CG 3.88Å; Y295-E424 HydrophobicContact CD1-CB 4.2Å; Y295-V426 HydrophobicContact CD1-CG2 3.41Å; Y295-V426 VanDerWaalsContact CD1-CG2 3.41Å; Y295-V426 HydrophobicContact CD2-CG2 3.84Å; Y295-V426 HydrophobicContact CE1-CG2 3.99Å; Y295-V426 HydrophobicContact CE2-CG2 4.36Å; Y295-V426 HydrophobicContact CG-CG2 3.33Å
296	N	96	Very high	94.6	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.07	19%	0.193	C	C	.	.			trans	-130.9	-15.9	-177.5	65.6	-5.7	0	0	0	115.5	K327 L328 N422 E424 F553	N296-K327 CarbonylContact O-C 3.57Å; N296-K327 VanDerWaalsContact O-CA 3.26Å; N296-K327 WeakPolarHBondContact O-CA 3.24Å; N296-L328 PolarHBondContact O-N 3.21Å; N296-N422 PolarHBondContact ND2-O 2.82Å; N296-E424 PolarHBondContact N-O 3.1Å; N296-E424 VanDerWaalsContact N-O 3.14Å; N296-E424 PolarHBondContact OD1-N 2.85Å; N296-E424 PolarHBondContact OD1-O 3.13Å; N296-F553 HydrophobicContact CB-CZ 4.34Å
297	V	97.5	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.8	175.6	-174	0	0	0	0	109.6	L328 F330 I423 E424 L425 V426 I549 F553	V297-L328 CarbonylContact C-O 3.49Å; V297-L328 WeakPolarHBondContact CA-O 3.45Å; V297-L328 HydrophobicContact CG1-CB 4.38Å; V297-L328 HydrophobicContact CG2-CB 4.29Å; V297-L328 HydrophobicContact CG2-CD1 4.44Å; V297-F330 HydrophobicContact CG1-CD2 3.81Å; V297-F330 HydrophobicContact CG1-CE2 3.53Å; V297-I423 HydrophobicContact CG2-CG2 3.94Å; V297-E424 PolarHBondContact N-O 2.79Å; V297-E424 VanDerWaalsContact N-O 3.15Å; V297-L425 HydrophobicContact CB-CB 4.48Å; V297-L425 HydrophobicContact CB-CD1 3.9Å; V297-L425 HydrophobicContact CG1-CD1 3.53Å; V297-L425 CarbonylContact O-C 3.56Å; V297-L425 WeakPolarHBondContact O-CA 3.37Å; V297-V426 PolarHBondContact O-N 3.16Å; V297-I549 HydrophobicContact CG1-CD1 4.13Å; V297-I549 HydrophobicContact CG1-CG1 4.43Å; V297-I549 HydrophobicContact CG2-CG2 4.09Å; V297-F553 HydrophobicContact CG2-CE2 3.77Å; V297-F553 HydrophobicContact CG2-CZ 4.02Å
298	F	98	Very high	94.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.1	-177.5	-55	-85.6	0	0	0	111.2	T280 I286 L289 A290 K327 L328 F329 F330 V426	T280-F298 HydrophobicContact CG2-CB 4.02Å; I286-F298 HydrophobicContact CG2-CB 3.73Å; I286-F298 HydrophobicContact CG2-CD1 3.74Å; I286-F298 HydrophobicContact CG2-CG 3.86Å; L289-F298 HydrophobicContact CB-CE1 4.2Å; A290-F298 HydrophobicContact CB-CD2 4.43Å; A290-F298 HydrophobicContact CB-CE1 4.24Å; A290-F298 HydrophobicContact CB-CE2 3.86Å; A290-F298 HydrophobicContact CB-CZ 3.75Å; F298-K327 HydrophobicContact CE2-CB 4.42Å; F298-K327 HydrophobicContact CE2-CD 4.19Å; F298-K327 HydrophobicContact CE2-CG 4.26Å; F298-L328 PolarHBondContact N-O 2.73Å; F298-F329 HydrophobicContact CB-CD1 3.8Å; F298-F329 HydrophobicContact CB-CE1 4.2Å; F298-F329 AromaticContact CD2-CD1 3.74Å; F298-F329 HydrophobicContact CD2-CD1 3.74Å; F298-F329 AromaticContact CD2-CE1 3.42Å; F298-F329 HydrophobicContact CD2-CE1 3.42Å; F298-F329 VanDerWaalsContact CD2-CE1 3.42Å; F298-F329 HydrophobicContact CD2-CG 4.46Å; F298-F329 AromaticContact CD2-CZ 3.91Å; F298-F329 HydrophobicContact CD2-CZ 3.91Å; F298-F329 AromaticContact CE2-CE1 3.99Å; F298-F329 HydrophobicContact CE2-CE1 3.99Å; F298-F329 HydrophobicContact CE2-CZ 4.13Å; F298-F329 HydrophobicContact CG-CD1 4.04Å; F298-F329 AromaticContact CG-CE1 3.93Å; F298-F329 HydrophobicContact CG-CE1 3.93Å; F298-F330 PolarHBondContact O-N 2.59Å; F298-V426 WeakPolarHBondContact CA-O 3.31Å; F298-V426 HydrophobicContact CD1-CB 3.85Å; F298-V426 HydrophobicContact CD1-CG1 4.32Å; F298-V426 HydrophobicContact CD1-CG2 4.38Å; F298-V426 HydrophobicContact CE1-CB 4.17Å; F298-V426 HydrophobicContact CE1-CG2 4.19Å
299	G	97.2	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	172	174.7	0	0	0	0	0	113.3	V426 V427 R428	G299-V426 PolarHBondContact N-O 3.09Å; G299-V426 VanDerWaalsContact N-O 3.15Å; G299-V427 VanDerWaalsContact O-CA 3.31Å; G299-V427 WeakPolarHBondContact O-CA 3.21Å; G299-R428 PolarHBondContact O-N 2.96Å
300	T	97.2	Very high	95.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	155.7	170.1	60.5	0	0	0	0	111	V302 I303 I304	T300-V302 PolarHBondContact O-N 2.79Å; T300-I303 PolarHBondContact O-N 2.75Å; T300-I303 VanDerWaalsContact O-N 3.15Å; T300-I303 WeakPolarHBondContact OG1-CD1 3.35Å; T300-I303 WeakPolarHBondContact OG1-CG1 3.31Å; T300-I304 VanDerWaalsContact O-CG1 3.31Å; T300-I304 WeakPolarHBondContact O-CG1 3.35Å; T300-I304 PolarHBondContact O-N 3.04Å
301	D	96.8	Very high	95.2	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-57.1	-34.5	177.2	62.1	-5.6	0	0	0	113.3	A305 V427 R428 E430 Q492	D301-A305 WeakPolarHBondContact O-CA 3.46Å; D301-A305 WeakPolarHBondContact O-CB 3.48Å; D301-A305 PolarHBondContact O-N 3.1Å; D301-V427 HydrophobicContact CB-CG1 4.17Å; D301-R428 WeakPolarHBondContact CB-O 3.47Å; D301-R428 PolarHBondContact N-O 3.1Å; D301-E430 PolarHBondContact OD2-N 3.31Å; D301-Q492 HydrophobicContact CB-CG 4.28Å
302	V	96.4	Very high	95.3	Very high	20 Å²	20	23.6 Å²	23.6	12%	0.121	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-47.8	174	-178	0	0	0	0	111.7	T300 T306 I338	T300-V302 PolarHBondContact O-N 2.79Å; V302-T306 WeakPolarHBondContact O-CB 3.11Å; V302-T306 PolarHBondContact O-N 3.36Å; V302-T306 VanDerWaalsContact O-N 3.09Å; V302-T306 PolarHBondContact O-OG1 3.42Å; V302-I338 HydrophobicContact CG1-CG1 4.45Å
303	I	97.4	Very high	95.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.1	-49.5	-178.8	-63.8	169.1	0	0	0	109.6	T300 A305 T306 L307 V319 F330 K332	T300-I303 PolarHBondContact O-N 2.75Å; T300-I303 VanDerWaalsContact O-N 3.15Å; T300-I303 WeakPolarHBondContact OG1-CD1 3.35Å; T300-I303 WeakPolarHBondContact OG1-CG1 3.31Å; I303-A305 VanDerWaalsContact C-N 3.35Å; I303-A305 PolarHBondContact O-N 3.47Å; I303-T306 WeakPolarHBondContact O-CB 3.39Å; I303-T306 PolarHBondContact O-N 2.89Å; I303-T306 VanDerWaalsContact O-N 3.07Å; I303-L307 HydrophobicContact CG2-CD1 4.45Å; I303-L307 WeakPolarHBondContact O-CG 3.31Å; I303-L307 PolarHBondContact O-N 3.29Å; I303-V319 HydrophobicContact CG2-CG1 3.63Å; I303-V319 HydrophobicContact CG2-CG2 4.03Å; I303-F330 WeakPolarHBondContact CD1-O 3.41Å; I303-F330 HydrophobicContact CG2-CB 3.81Å; I303-K332 HydrophobicContact CD1-CB 4.2Å; I303-K332 HydrophobicContact CD1-CG 4.31Å
304	I	97.7	Very high	96	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.5	-41.3	-179.8	-61.2	-60	0	0	0	111.3	T300 T306 L307 M308 L425 V427 L495 L545	T300-I304 VanDerWaalsContact O-CG1 3.31Å; T300-I304 WeakPolarHBondContact O-CG1 3.35Å; T300-I304 PolarHBondContact O-N 3.04Å; I304-T306 VanDerWaalsContact C-N 3.28Å; I304-T306 PolarHBondContact O-N 2.75Å; I304-L307 HydrophobicContact CD1-CD1 4.45Å; I304-L307 PolarHBondContact O-N 2.93Å; I304-M308 HydrophobicContact CG2-CE 3.89Å; I304-M308 HydrophobicContact CG2-CG 4.34Å; I304-M308 HydrophobicContact CG2-SD 4.26Å; I304-M308 WeakPolarHBondContact O-CB 3.42Å; I304-M308 WeakPolarHBondContact O-CG 3.15Å; I304-M308 PolarHBondContact O-N 2.92Å; I304-L425 HydrophobicContact CD1-CD1 4.26Å; I304-V427 HydrophobicContact CB-CG1 4.46Å; I304-V427 HydrophobicContact CG1-CG1 4.09Å; I304-V427 HydrophobicContact CG1-CG2 4.06Å; I304-L495 HydrophobicContact CB-CD1 4.27Å; I304-L495 HydrophobicContact CG2-CD1 3.81Å; I304-L545 HydrophobicContact CD1-CD1 4.18Å; I304-L545 HydrophobicContact CG2-CD2 3.92Å
305	A	97.6	Very high	96.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-34.6	175.1	0	0	0	0	0	112.4	D301 I303 C309 K488 V491 Q492	D301-A305 WeakPolarHBondContact O-CA 3.46Å; D301-A305 WeakPolarHBondContact O-CB 3.48Å; D301-A305 PolarHBondContact O-N 3.1Å; I303-A305 VanDerWaalsContact C-N 3.35Å; I303-A305 PolarHBondContact O-N 3.47Å; A305-C309 VanDerWaalsContact O-CB 3.24Å; A305-C309 WeakPolarHBondContact O-CB 3.38Å; A305-C309 PolarHBondContact O-N 3.23Å; A305-C309 PolarHBondContact O-SG 3.48Å; A305-C309 VanDerWaalsContact O-SG 3.34Å; A305-K488 HydrophobicContact CB-CB 4.32Å; A305-V491 HydrophobicContact CB-CB 4.06Å; A305-V491 HydrophobicContact CB-CG1 3.84Å; A305-Q492 HydrophobicContact CB-CG 3.89Å
306	T	97.3	Very high	96.3	Very high	6 Å²	6	11.2 Å²	11.2	4%	0.037	6%	0.06	C	C	.	.	H	α-helix	trans	-66.7	-42.6	175.4	-59.2	0	0	0	0	111.4	V302 I303 I304 C309 C310 W317 I338 K488	V302-T306 WeakPolarHBondContact O-CB 3.11Å; V302-T306 PolarHBondContact O-N 3.36Å; V302-T306 VanDerWaalsContact O-N 3.09Å; V302-T306 PolarHBondContact O-OG1 3.42Å; I303-T306 WeakPolarHBondContact O-CB 3.39Å; I303-T306 PolarHBondContact O-N 2.89Å; I303-T306 VanDerWaalsContact O-N 3.07Å; I304-T306 VanDerWaalsContact C-N 3.28Å; I304-T306 PolarHBondContact O-N 2.75Å; T306-C309 PolarHBondContact O-N 3.2Å; T306-C310 PolarHBondContact O-N 2.96Å; T306-C310 VanDerWaalsContact O-N 3.15Å; T306-W317 HydrophobicContact CG2-CD2 3.61Å; T306-W317 HydrophobicContact CG2-CE3 3.85Å; T306-W317 HydrophobicContact CG2-CG 4.05Å; T306-W317 HydrophobicContact CG2-CH2 4.35Å; T306-W317 HydrophobicContact CG2-CZ2 4.13Å; T306-W317 HydrophobicContact CG2-CZ3 4.22Å; T306-I338 HydrophobicContact CG2-CD1 4.11Å; T306-K488 WeakPolarHBondContact OG1-CD 3.07Å
307	L	97.2	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175.3	-62.6	178.6	0	0	0	111.8	I303 I304 C309 C310 W317 V319 F330 I544 L545 I548 L562	I303-L307 HydrophobicContact CG2-CD1 4.45Å; I303-L307 WeakPolarHBondContact O-CG 3.31Å; I303-L307 PolarHBondContact O-N 3.29Å; I304-L307 HydrophobicContact CD1-CD1 4.45Å; I304-L307 PolarHBondContact O-N 2.93Å; L307-C309 VanDerWaalsContact C-N 3.31Å; L307-C309 PolarHBondContact O-N 2.87Å; L307-C310 WeakPolarHBondContact O-CB 3.47Å; L307-C310 PolarHBondContact O-N 2.89Å; L307-C310 PolarHBondContact O-SG 2.87Å; L307-W317 HydrophobicContact CD2-CH2 4Å; L307-W317 HydrophobicContact CD2-CZ3 4.08Å; L307-V319 HydrophobicContact CD2-CG2 4.33Å; L307-F330 HydrophobicContact CD1-CD1 3.68Å; L307-F330 HydrophobicContact CD1-CE1 3.76Å; L307-F330 HydrophobicContact CD1-CG 4.21Å; L307-F330 HydrophobicContact CD1-CZ 4.36Å; L307-I544 WeakPolarHBondContact O-CG2 3.25Å; L307-L545 HydrophobicContact CB-CD1 4.17Å; L307-L545 HydrophobicContact CD1-CD1 3.88Å; L307-I548 HydrophobicContact CB-CD1 4.49Å; L307-I548 HydrophobicContact CD2-CD1 4.28Å; L307-L562 HydrophobicContact CD2-CD2 3.61Å
308	M	97.1	Very high	96.2	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-36.3	178.3	-77.9	-169.4	176.7	0	0	113	I304 V491 L495 M538 A541 W542 L545	I304-M308 HydrophobicContact CG2-CE 3.89Å; I304-M308 HydrophobicContact CG2-CG 4.34Å; I304-M308 HydrophobicContact CG2-SD 4.26Å; I304-M308 WeakPolarHBondContact O-CB 3.42Å; I304-M308 WeakPolarHBondContact O-CG 3.15Å; I304-M308 PolarHBondContact O-N 2.92Å; M308-V491 HydrophobicContact CB-CG1 4.29Å; M308-V491 HydrophobicContact CG-CG1 4.5Å; M308-V491 HydrophobicContact SD-CG1 3.5Å; M308-V491 WeakPolarHBondContact SD-CG1 3.45Å; M308-L495 HydrophobicContact CE-CD2 4.08Å; M308-L495 HydrophobicContact SD-CD1 4.48Å; M308-M538 HydrophobicContact SD-CE 4.44Å; M308-A541 HydrophobicContact CB-CB 3.89Å; M308-A541 HydrophobicContact CG-CB 4.03Å; M308-A541 HydrophobicContact SD-CB 4.07Å; M308-W542 HydrophobicContact CE-CD2 3.63Å; M308-W542 HydrophobicContact CE-CE3 3.42Å; M308-W542 VanDerWaalsContact CE-CE3 3.42Å; M308-W542 HydrophobicContact CE-CG 4.45Å; M308-W542 HydrophobicContact CE-CH2 3.62Å; M308-W542 HydrophobicContact CE-CZ2 3.82Å; M308-W542 HydrophobicContact CE-CZ3 3.42Å; M308-W542 VanDerWaalsContact CE-CZ3 3.42Å; M308-L545 HydrophobicContact CE-CD2 3.62Å; M308-L545 HydrophobicContact CG-CB 4.35Å
309	C	96.3	Very high	96.2	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.02	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	15.3	-176.7	-61	0	0	0	0	113.9	A305 T306 L307 T311 R312 A487 K488 V491	A305-C309 VanDerWaalsContact O-CB 3.24Å; A305-C309 WeakPolarHBondContact O-CB 3.38Å; A305-C309 PolarHBondContact O-N 3.23Å; A305-C309 PolarHBondContact O-SG 3.48Å; A305-C309 VanDerWaalsContact O-SG 3.34Å; T306-C309 PolarHBondContact O-N 3.2Å; L307-C309 VanDerWaalsContact C-N 3.31Å; L307-C309 PolarHBondContact O-N 2.87Å; C309-T311 PolarHBondContact O-N 2.83Å; C309-T311 VanDerWaalsContact O-N 3.09Å; C309-R312 PolarHBondContact O-N 2.88Å; C309-R312 VanDerWaalsContact O-N 3.08Å; C309-A487 HydrophobicContact CB-CB 4.11Å; C309-A487 VanDerWaalsContact SG-C 3.53Å; C309-K488 HydrophobicContact CB-CG 4.06Å; C309-V491 VanDerWaalsContact SG-CG2 3.52Å
310	C	95.9	Very high	96.1	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.7	-172.4	69.9	0	0	0	0	113.4	T306 L307 R312 S313 W317 L571	T306-C310 PolarHBondContact O-N 2.96Å; T306-C310 VanDerWaalsContact O-N 3.15Å; L307-C310 WeakPolarHBondContact O-CB 3.47Å; L307-C310 PolarHBondContact O-N 2.89Å; L307-C310 PolarHBondContact O-SG 2.87Å; C310-R312 PolarHBondContact O-N 2.86Å; C310-S313 PolarHBondContact O-N 2.86Å; C310-S313 VanDerWaalsContact O-N 3.12Å; C310-S313 PolarHBondContact O-OG 3.09Å; C310-W317 HydrophobicContact CB-CH2 4.37Å; C310-W317 HydrophobicContact CB-CZ2 3.76Å; C310-L571 HydrophobicContact CB-CD1 4.05Å
311	T	95.4	Very high	96.1	Very high	27 Å²	27	11.9 Å²	11.9	17%	0.166	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-66.6	-17.3	-178.6	57.7	0	0	0	0	114	L228 Q229 C309 I544	L228-T311 HydrophobicContact CB-CG2 4.02Å; Q229-T311 HydrophobicContact CG-CG2 3.77Å; C309-T311 PolarHBondContact O-N 2.83Å; C309-T311 VanDerWaalsContact O-N 3.09Å; T311-I544 HydrophobicContact CG2-CD1 3.69Å
312	R	95	Very high	96	Very high	45 Å²	45	13.8 Å²	13.8	17%	0.17	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-98.9	-10.8	177	-61.6	-179.4	-178.5	-148.1	1.9	113.2	C309 C310 S483 C484 I534 N535	C309-R312 PolarHBondContact O-N 2.88Å; C309-R312 VanDerWaalsContact O-N 3.08Å; C310-R312 PolarHBondContact O-N 2.86Å; R312-S483 PolarHBondContact NH1-OG 3.47Å; R312-C484 HydrophobicContact CB-CB 4.12Å; R312-I534 PolarHBondContact NH1-O 3.32Å; R312-I534 VanDerWaalsContact NH1-O 3.13Å; R312-I534 PolarHBondContact NH2-O 3.45Å; R312-N535 PolarHBondContact NH2-O 3.33Å
313	S	94.3	Very high	96	Very high	7 Å²	7	13.8 Å²	13.8	5%	0.049	7%	0.068	C	C	.	.			trans	-74.9	136.8	-177.3	68.5	0	0	0	0	111.8	C310 W317 K564	C310-S313 PolarHBondContact O-N 2.86Å; C310-S313 VanDerWaalsContact O-N 3.12Å; C310-S313 PolarHBondContact O-OG 3.09Å; S313-W317 PolarHBondContact OG-NE1 2.93Å; S313-K564 WeakPolarHBondContact O-CE 3.16Å
314	V	93.7	Very high	95.8	Very high	42 Å²	42	18 Å²	18	26%	0.255	9%	0.094	S	C	.	.			trans	-113	-45.2	176.7	178.6	0	0	0	0	109.6	R207 E345 T346	R207-V314 VanDerWaalsContact CZ-CG1 3.4Å; V314-E345 HydrophobicContact CB-CG 3.86Å; V314-E345 HydrophobicContact CG2-CG 4.37Å; V314-E345 PolarHBondContact N-OE1 3.01Å; V314-T346 HydrophobicContact CG2-CG2 4.07Å
315	Y	93.8	Very high	95.5	Very high	42 Å²	42	19.5 Å²	19.5	17%	0.165	11%	0.109	C	C	.	.	S	Bend	trans	-71.3	152.4	176.6	-64.1	-21.8	0	0	0	111.4	T342 E345 K564	Y315-T342 HydrophobicContact CD2-CG2 3.8Å; Y315-T342 HydrophobicContact CE2-CG2 4.39Å; Y315-E345 HydrophobicContact CD1-CG 4.18Å; Y315-E345 HydrophobicContact CD2-CB 4.1Å; Y315-E345 HydrophobicContact CD2-CG 3.72Å; Y315-E345 HydrophobicContact CE1-CG 4.35Å; Y315-E345 HydrophobicContact CE2-CB 3.82Å; Y315-E345 HydrophobicContact CE2-CG 3.88Å; Y315-E345 HydrophobicContact CG-CG 3.89Å; Y315-E345 PolarHBondContact N-OE1 3.43Å; Y315-K564 WeakPolarHBondContact O-CG 3.3Å
316	S	95	Very high	95.3	Very high	23 Å²	23	24.6 Å²	24.6	16%	0.161	14%	0.137	C	C	.	.			trans	-72.7	139.7	176.9	-169.5	0	0	0	0	109.7	S210 K564	S210-S316 PolarHBondContact N-OG 2.77Å; S210-S316 VanDerWaalsContact N-OG 3.07Å; S210-S316 PolarHBondContact OG-OG 2.92Å; S316-K564 WeakPolarHBondContact CA-O 3.25Å; S316-K564 WeakPolarHBondContact CB-O 3.27Å; S316-K564 PolarHBondContact OG-O 2.84Å
317	W	95.8	Very high	95.2	Very high	23 Å²	23	26.6 Å²	26.6	9%	0.087	15%	0.145	C	C	.	.			trans	-146.1	156.8	172.5	53.5	-96	0	0	0	107.5	S210 T306 L307 C310 S313 V319 L562 M563 K564 L571	S210-W317 VanDerWaalsContact OG-C 3.31Å; T306-W317 HydrophobicContact CG2-CD2 3.61Å; T306-W317 HydrophobicContact CG2-CE3 3.85Å; T306-W317 HydrophobicContact CG2-CG 4.05Å; T306-W317 HydrophobicContact CG2-CH2 4.35Å; T306-W317 HydrophobicContact CG2-CZ2 4.13Å; T306-W317 HydrophobicContact CG2-CZ3 4.22Å; L307-W317 HydrophobicContact CD2-CH2 4Å; L307-W317 HydrophobicContact CD2-CZ3 4.08Å; C310-W317 HydrophobicContact CB-CH2 4.37Å; C310-W317 HydrophobicContact CB-CZ2 3.76Å; S313-W317 PolarHBondContact OG-NE1 2.93Å; W317-V319 HydrophobicContact CE3-CG2 3.9Å; W317-V319 HydrophobicContact CZ3-CB 4.43Å; W317-V319 HydrophobicContact CZ3-CG2 3.77Å; W317-L562 HydrophobicContact CH2-CD2 4.37Å; W317-L562 HydrophobicContact CZ3-CD2 4.47Å; W317-M563 WeakPolarHBondContact O-CA 3.48Å; W317-K564 HydrophobicContact CD2-CB 3.99Å; W317-K564 HydrophobicContact CG-CB 4.09Å; W317-K564 HydrophobicContact CZ2-CB 4.12Å; W317-K564 PolarHBondContact O-N 3.33Å; W317-L571 HydrophobicContact CH2-CD1 4.42Å; W317-L571 HydrophobicContact CH2-CD2 4Å; W317-L571 HydrophobicContact CZ2-CD2 3.7Å
318	D	95.7	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.7	177.4	56.7	-90.6	0	0	0	111	S210 V211 R333 V561 L562	S210-D318 WeakPolarHBondContact CB-OD1 3.48Å; S210-D318 PolarHBondContact OG-N 3.45Å; S210-D318 PolarHBondContact OG-OD1 2.85Å; V211-D318 HydrophobicContact CG1-CB 4.14Å; D318-R333 IonicContact OD1-CZ 2.78Å; D318-R333 IonicContact OD1-NE 3.98Å; D318-R333 IonicContact OD1-NH2 3.73Å; D318-R333 PolarHBondContact OD1-NH2 3Å; D318-R333 IonicContact OD2-CZ 2.74Å; D318-R333 IonicContact OD2-NE 3.89Å; D318-R333 PolarHBondContact OD2-NE 3.34Å; D318-R333 IonicContact OD2-NH2 2.59Å; D318-R333 PolarHBondContact OD2-NH2 3.35Å; D318-V561 HydrophobicContact CB-CG1 4.04Å; D318-L562 CarbonylContact C-O 3.49Å; D318-L562 VanDerWaalsContact CA-O 3.31Å; D318-L562 WeakPolarHBondContact CA-O 3.1Å
319	V	96.6	Very high	95.2	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	-128	126.4	174.5	173.6	0	0	0	0	107.3	I303 L307 W317 I321 F330 D331 I338 L562	I303-V319 HydrophobicContact CG2-CG1 3.63Å; I303-V319 HydrophobicContact CG2-CG2 4.03Å; L307-V319 HydrophobicContact CD2-CG2 4.33Å; W317-V319 HydrophobicContact CE3-CG2 3.9Å; W317-V319 HydrophobicContact CZ3-CB 4.43Å; W317-V319 HydrophobicContact CZ3-CG2 3.77Å; V319-I321 HydrophobicContact CG1-CG1 4.4Å; V319-F330 HydrophobicContact CG1-CB 4.32Å; V319-F330 HydrophobicContact CG1-CD1 4.04Å; V319-D331 WeakPolarHBondContact CG1-O 3.39Å; V319-I338 HydrophobicContact CG2-CD1 4.01Å; V319-L562 PolarHBondContact N-O 3.44Å; V319-L562 PolarHBondContact O-N 2.98Å
320	V	95.8	Very high	95.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.03	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.2	175.7	-175.2	0	0	0	0	108	H322 D331 R333 K559 Y560 F581	V320-H322 VanDerWaalsContact CG1-NE2 3.34Å; V320-H322 WeakPolarHBondContact CG1-NE2 3.37Å; V320-D331 HydrophobicContact CB-CB 4.32Å; V320-D331 PolarHBondContact N-O 2.97Å; V320-D331 PolarHBondContact O-N 3.45Å; V320-R333 HydrophobicContact CG2-CG 3.68Å; V320-K559 HydrophobicContact CG1-CD 4.48Å; V320-K559 HydrophobicContact CG1-CG 4.06Å; V320-Y560 CarbonylContact C-O 3.52Å; V320-Y560 WeakPolarHBondContact CA-O 3.38Å; V320-F581 HydrophobicContact CG2-CD2 4.43Å; V320-F581 HydrophobicContact CG2-CE2 4.19Å
321	I	97.1	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.3	-178.6	-52.7	172.6	0	0	0	108.1	V319 L328 F329 F330 Y560 L562 L573	V319-I321 HydrophobicContact CG1-CG1 4.4Å; I321-L328 HydrophobicContact CG2-CD2 4.07Å; I321-F329 WeakPolarHBondContact CA-O 3.47Å; I321-F330 HydrophobicContact CD1-CD1 4.04Å; I321-F330 HydrophobicContact CD1-CE1 3.64Å; I321-F330 HydrophobicContact CG1-CD1 3.74Å; I321-F330 HydrophobicContact CG1-CE1 3.85Å; I321-F330 HydrophobicContact CG2-CE1 4.35Å; I321-Y560 PolarHBondContact N-O 2.89Å; I321-Y560 PolarHBondContact O-N 3.45Å; I321-L562 HydrophobicContact CD1-CB 3.99Å; I321-L573 HydrophobicContact CD1-CD1 4.23Å
322	H	95.6	Very high	95.2	Very high	43 Å²	43	27.8 Å²	27.8	20%	0.199	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.2	175.5	-62.8	-93.5	0	0	0	109.9	V320 L328 F329 D331	V320-H322 VanDerWaalsContact CG1-NE2 3.34Å; V320-H322 WeakPolarHBondContact CG1-NE2 3.37Å; H322-L328 WeakPolarHBondContact O-CA 3.43Å; H322-F329 HydrophobicContact CB-CB 4.27Å; H322-F329 HydrophobicContact CB-CD2 4.5Å; H322-F329 PolarHBondContact N-O 2.74Å; H322-F329 PolarHBondContact O-N 3.22Å; H322-D331 IonicContact NE2-OD2 3.29Å
323	R	95.1	Very high	95.1	Very high	21 Å²	21	26.7 Å²	26.7	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104	172.7	179.9	68.5	-174.5	151.6	-7.8	109.4	G325 N326 K327 L328 F553 A556 Q557 G558 Y560	R323-G325 PolarHBondContact NE-O 3.45Å; R323-G325 PolarHBondContact NH2-O 2.81Å; R323-N326 PolarHBondContact NH1-O 2.93Å; R323-N326 VanDerWaalsContact NH1-O 3.13Å; R323-N326 PolarHBondContact NH2-OD1 3.15Å; R323-N326 VanDerWaalsContact NH2-OD1 3.1Å; R323-K327 VanDerWaalsContact NH1-C 3.32Å; R323-K327 PolarHBondContact NH1-O 2.89Å; R323-L328 HydrophobicContact CB-CD2 4Å; R323-L328 HydrophobicContact CG-CD2 4.26Å; R323-F553 VanDerWaalsContact CZ-CD1 3.42Å; R323-A556 WeakPolarHBondContact CG-O 3.46Å; R323-Q557 HydrophobicContact CG-CG 4.33Å; R323-Q557 WeakPolarHBondContact O-CA 3.37Å; R323-Q557 WeakPolarHBondContact O-CB 3.29Å; R323-G558 PolarHBondContact N-O 2.93Å; R323-G558 PolarHBondContact O-N 3.2Å; R323-G558 VanDerWaalsContact O-N 3.1Å; R323-Y560 HydrophobicContact CB-CD2 4.42Å; R323-Y560 HydrophobicContact CB-CE2 3.99Å
324	V	93.7	Very high	94.6	Very high	88 Å²	88	31 Å²	31	53%	0.533	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.4	-179.8	-176	0	0	0	0	109.4	N326 K327 F329	V324-N326 PolarHBondContact O-N 3.4Å; V324-K327 PolarHBondContact N-O 3.25Å; V324-K327 VanDerWaalsContact N-O 3.12Å; V324-K327 WeakPolarHBondContact O-CB 3.48Å; V324-K327 PolarHBondContact O-N 3.27Å; V324-F329 HydrophobicContact CB-CE2 4.48Å
325	G	91.4	Very high	94.2	Very high	32 Å²	32	31 Å²	31	33%	0.33	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-123	-176.1	0	0	0	0	0	112.1	R323 Q557	R323-G325 PolarHBondContact NE-O 3.45Å; R323-G325 PolarHBondContact NH2-O 2.81Å; G325-Q557 VanDerWaalsContact N-CD 3.27Å; G325-Q557 VanDerWaalsContact N-OE1 3.1Å
326	N	92.9	Very high	93.8	Very high	107 Å²	107	29.5 Å²	29.5	57%	0.572	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	13.7	173.1	-160.9	33	0	0	0	114	R323 V324 F553	R323-N326 PolarHBondContact NH1-O 2.93Å; R323-N326 VanDerWaalsContact NH1-O 3.13Å; R323-N326 PolarHBondContact NH2-OD1 3.15Å; R323-N326 VanDerWaalsContact NH2-OD1 3.1Å; V324-N326 PolarHBondContact O-N 3.4Å; N326-F553 WeakPolarHBondContact O-CE1 3.36Å; N326-F553 WeakPolarHBondContact OD1-CE1 3.32Å
327	K	95.8	Very high	93.4	Very high	47 Å²	47	34.7 Å²	34.7	20%	0.204	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.9	-178.5	-66.9	173.1	171.3	156.8	0	111.9	A290 G292 Y295 N296 F298 R323 V324 F329	A290-K327 WeakPolarHBondContact O-CE 3.39Å; A290-K327 PolarHBondContact O-NZ 3.38Å; G292-K327 WeakPolarHBondContact O-CE 3.46Å; G292-K327 PolarHBondContact O-NZ 3.42Å; Y295-K327 WeakPolarHBondContact O-CE 3.26Å; N296-K327 CarbonylContact O-C 3.57Å; N296-K327 VanDerWaalsContact O-CA 3.26Å; N296-K327 WeakPolarHBondContact O-CA 3.24Å; F298-K327 HydrophobicContact CE2-CB 4.42Å; F298-K327 HydrophobicContact CE2-CD 4.19Å; F298-K327 HydrophobicContact CE2-CG 4.26Å; R323-K327 VanDerWaalsContact NH1-C 3.32Å; R323-K327 PolarHBondContact NH1-O 2.89Å; V324-K327 PolarHBondContact N-O 3.25Å; V324-K327 VanDerWaalsContact N-O 3.12Å; V324-K327 WeakPolarHBondContact O-CB 3.48Å; V324-K327 PolarHBondContact O-N 3.27Å; K327-F329 HydrophobicContact CB-CE2 3.79Å; K327-F329 HydrophobicContact CB-CZ 4.2Å
328	L	97.1	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.4	174.8	-77.3	177	0	0	0	108.7	N296 V297 F298 I321 H322 R323 I549 C552 F553	N296-L328 PolarHBondContact O-N 3.21Å; V297-L328 CarbonylContact C-O 3.49Å; V297-L328 WeakPolarHBondContact CA-O 3.45Å; V297-L328 HydrophobicContact CG1-CB 4.38Å; V297-L328 HydrophobicContact CG2-CB 4.29Å; V297-L328 HydrophobicContact CG2-CD1 4.44Å; F298-L328 PolarHBondContact N-O 2.73Å; I321-L328 HydrophobicContact CG2-CD2 4.07Å; H322-L328 WeakPolarHBondContact O-CA 3.43Å; R323-L328 HydrophobicContact CB-CD2 4Å; R323-L328 HydrophobicContact CG-CD2 4.26Å; L328-I549 HydrophobicContact CD1-CG2 4.23Å; L328-C552 HydrophobicContact CD1-CB 3.7Å; L328-C552 HydrophobicContact CD2-CB 3.87Å; L328-C552 HydrophobicContact CG-CB 4.49Å; L328-F553 HydrophobicContact CD1-CD1 4.46Å; L328-F553 HydrophobicContact CD1-CD2 3.47Å; L328-F553 VanDerWaalsContact CD1-CD2 3.47Å; L328-F553 HydrophobicContact CD1-CE1 4.39Å; L328-F553 HydrophobicContact CD1-CE2 3.38Å; L328-F553 HydrophobicContact CD1-CG 4.02Å; L328-F553 HydrophobicContact CD1-CZ 3.84Å; L328-F553 HydrophobicContact CG-CD2 4.47Å; L328-F553 HydrophobicContact CG-CE1 4.45Å; L328-F553 HydrophobicContact CG-CE2 4.16Å; L328-F553 HydrophobicContact CG-CZ 4.11Å
329	F	97.6	Very high	93	Very high	29 Å²	29	36.2 Å²	36.2	13%	0.127	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.2	173.1	-56.3	-96.2	0	0	0	108.4	T281 I286 A290 F298 I321 H322 V324 K327	T281-F329 HydrophobicContact CG2-CB 4.39Å; I286-F329 HydrophobicContact CG2-CD1 4.49Å; I286-F329 HydrophobicContact CG2-CE1 4.4Å; A290-F329 HydrophobicContact CB-CE1 3.7Å; A290-F329 HydrophobicContact CB-CZ 3.73Å; F298-F329 HydrophobicContact CB-CD1 3.8Å; F298-F329 HydrophobicContact CB-CE1 4.2Å; F298-F329 AromaticContact CD2-CD1 3.74Å; F298-F329 HydrophobicContact CD2-CD1 3.74Å; F298-F329 AromaticContact CD2-CE1 3.42Å; F298-F329 HydrophobicContact CD2-CE1 3.42Å; F298-F329 VanDerWaalsContact CD2-CE1 3.42Å; F298-F329 HydrophobicContact CD2-CG 4.46Å; F298-F329 AromaticContact CD2-CZ 3.91Å; F298-F329 HydrophobicContact CD2-CZ 3.91Å; F298-F329 AromaticContact CE2-CE1 3.99Å; F298-F329 HydrophobicContact CE2-CE1 3.99Å; F298-F329 HydrophobicContact CE2-CZ 4.13Å; F298-F329 HydrophobicContact CG-CD1 4.04Å; F298-F329 AromaticContact CG-CE1 3.93Å; F298-F329 HydrophobicContact CG-CE1 3.93Å; I321-F329 WeakPolarHBondContact CA-O 3.47Å; H322-F329 HydrophobicContact CB-CB 4.27Å; H322-F329 HydrophobicContact CB-CD2 4.5Å; H322-F329 PolarHBondContact N-O 2.74Å; H322-F329 PolarHBondContact O-N 3.22Å; V324-F329 HydrophobicContact CB-CE2 4.48Å; K327-F329 HydrophobicContact CB-CE2 3.79Å; K327-F329 HydrophobicContact CB-CZ 4.2Å
330	F	97.7	Very high	92.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.5	171.3	-70.7	-84.1	0	0	0	108.8	T280 V297 F298 I303 L307 V319 I321 I548 I549	T280-F330 WeakPolarHBondContact CB-O 3.49Å; T280-F330 PolarHBondContact OG1-O 3.15Å; V297-F330 HydrophobicContact CG1-CD2 3.81Å; V297-F330 HydrophobicContact CG1-CE2 3.53Å; F298-F330 PolarHBondContact O-N 2.59Å; I303-F330 WeakPolarHBondContact CD1-O 3.41Å; I303-F330 HydrophobicContact CG2-CB 3.81Å; L307-F330 HydrophobicContact CD1-CD1 3.68Å; L307-F330 HydrophobicContact CD1-CE1 3.76Å; L307-F330 HydrophobicContact CD1-CG 4.21Å; L307-F330 HydrophobicContact CD1-CZ 4.36Å; V319-F330 HydrophobicContact CG1-CB 4.32Å; V319-F330 HydrophobicContact CG1-CD1 4.04Å; I321-F330 HydrophobicContact CD1-CD1 4.04Å; I321-F330 HydrophobicContact CD1-CE1 3.64Å; I321-F330 HydrophobicContact CG1-CD1 3.74Å; I321-F330 HydrophobicContact CG1-CE1 3.85Å; I321-F330 HydrophobicContact CG2-CE1 4.35Å; F330-I548 HydrophobicContact CE1-CG2 4.2Å; F330-I548 HydrophobicContact CZ-CG2 4.39Å; F330-I549 HydrophobicContact CE2-CG1 3.92Å; F330-I549 HydrophobicContact CZ-CG1 3.9Å
331	D	95.9	Very high	92.9	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.059	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	162.3	-167.4	-144.5	21	0	0	0	111.2	S279 T280 T281 V319 V320 H322	S279-D331 VanDerWaalsContact CB-OD1 3.25Å; S279-D331 WeakPolarHBondContact CB-OD1 3.46Å; S279-D331 VanDerWaalsContact OG-CG 3.3Å; S279-D331 PolarHBondContact OG-OD1 3.12Å; T280-D331 WeakPolarHBondContact CB-OD1 3.3Å; T280-D331 PolarHBondContact N-OD1 3.35Å; T281-D331 WeakPolarHBondContact CB-OD2 3.46Å; T281-D331 HydrophobicContact CG2-CB 4.42Å; T281-D331 WeakPolarHBondContact CG2-OD2 3.42Å; T281-D331 PolarHBondContact N-OD1 3.48Å; T281-D331 PolarHBondContact OG1-OD1 3.08Å; T281-D331 PolarHBondContact OG1-OD2 3.3Å; V319-D331 WeakPolarHBondContact CG1-O 3.39Å; V320-D331 HydrophobicContact CB-CB 4.32Å; V320-D331 PolarHBondContact N-O 2.97Å; V320-D331 PolarHBondContact O-N 3.45Å; H322-D331 IonicContact NE2-OD2 3.29Å
332	K	93.5	Very high	92.8	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.083	21%	0.213	C	C	.	.			trans	-118.9	151.4	174.6	60	173.3	-177.6	-180	0	109.1	T277 S279 I303 I338 D339	T277-K332 VanDerWaalsContact O-CE 3.26Å; T277-K332 WeakPolarHBondContact O-CE 3.16Å; T277-K332 PolarHBondContact O-NZ 3.31Å; S279-K332 VanDerWaalsContact OG-CG 3.28Å; S279-K332 WeakPolarHBondContact OG-CG 3.33Å; S279-K332 PolarHBondContact OG-N 3.44Å; S279-K332 PolarHBondContact OG-O 2.89Å; I303-K332 HydrophobicContact CD1-CB 4.2Å; I303-K332 HydrophobicContact CD1-CG 4.31Å; K332-I338 HydrophobicContact CB-CG2 3.93Å; K332-I338 HydrophobicContact CD-CG2 3.6Å; K332-I338 HydrophobicContact CG-CG2 4.39Å; K332-D339 IonicContact NZ-OD1 3.05Å; K332-D339 PolarHBondContact NZ-OD1 3.01Å; K332-D339 IonicContact NZ-OD2 2.8Å; K332-D339 PolarHBondContact NZ-OD2 2.98Å
333	R	92.2	Very high	92.7	Very high	21 Å²	21	38 Å²	38	8%	0.079	21%	0.205	C	C	.	.			trans	-70.8	150.6	170	-59.8	-176.9	-68.7	133.7	3.1	110.1	S210 D318 V320 A335 S336 F581 E584	S210-R333 PolarHBondContact O-NH2 3.29Å; D318-R333 IonicContact OD1-CZ 2.78Å; D318-R333 IonicContact OD1-NE 3.98Å; D318-R333 IonicContact OD1-NH2 3.73Å; D318-R333 PolarHBondContact OD1-NH2 3Å; D318-R333 IonicContact OD2-CZ 2.74Å; D318-R333 IonicContact OD2-NE 3.89Å; D318-R333 PolarHBondContact OD2-NE 3.34Å; D318-R333 IonicContact OD2-NH2 2.59Å; D318-R333 PolarHBondContact OD2-NH2 3.35Å; V320-R333 HydrophobicContact CG2-CG 3.68Å; R333-A335 VanDerWaalsContact C-N 3.32Å; R333-A335 PolarHBondContact O-N 3.22Å; R333-S336 WeakPolarHBondContact O-CB 3.35Å; R333-S336 PolarHBondContact O-N 2.93Å; R333-F581 VanDerWaalsContact CD-CD1 3.46Å; R333-F581 HydrophobicContact CG-CD1 4.43Å; R333-F581 HydrophobicContact CG-CD2 4.38Å; R333-F581 HydrophobicContact CG-CG 4.29Å; R333-E584 IonicContact CZ-OE2 3.04Å; R333-E584 IonicContact NH1-OE1 2.93Å; R333-E584 IonicContact NH1-OE2 2.75Å; R333-E584 PolarHBondContact NH1-OE2 3.39Å
334	T	85.6	Confident	92.7	Very high	99 Å²	99	37.3 Å²	37.3	61%	0.607	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-44.8	173.6	-44.3	0	0	0	0	111.4	S336 E588	T334-S336 PolarHBondContact O-N 3.44Å; T334-S336 VanDerWaalsContact O-N 3.15Å; T334-E588 WeakPolarHBondContact CB-OE2 3.41Å; T334-E588 WeakPolarHBondContact CG2-OE2 3.38Å
335	A	83.6	Confident	92.7	Very high	40 Å²	40	33.4 Å²	33.4	33%	0.331	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.1	174.3	0	0	0	0	0	114.8	R333 R337 E588	R333-A335 VanDerWaalsContact C-N 3.32Å; R333-A335 PolarHBondContact O-N 3.22Å; A335-R337 PolarHBondContact O-N 3.22Å; A335-E588 VanDerWaalsContact CA-OE1 3.24Å; A335-E588 WeakPolarHBondContact CA-OE1 3.32Å; A335-E588 WeakPolarHBondContact CB-OE1 3.48Å
336	S	86.2	Confident	92.8	Very high	11 Å²	11	33.5 Å²	33.5	8%	0.077	17%	0.173	C	C	.	.			trans	-74.2	130.6	-173.9	-171.8	0	0	0	0	111.6	R333 T334 I338	R333-S336 WeakPolarHBondContact O-CB 3.35Å; R333-S336 PolarHBondContact O-N 2.93Å; T334-S336 PolarHBondContact O-N 3.44Å; T334-S336 VanDerWaalsContact O-N 3.15Å; S336-I338 PolarHBondContact O-N 2.78Å; S336-I338 PolarHBondContact OG-N 3.07Å
337	R	86.6	Confident	92.8	Very high	132 Å²	132	29 Å²	29	50%	0.498	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-85.9	22.1	175.4	-60.6	-178.1	-177.6	175.2	-0	113.1	A335 D339 Y340 E362	A335-R337 PolarHBondContact O-N 3.22Å; R337-D339 PolarHBondContact O-N 3.09Å; R337-Y340 HydrophobicContact CB-CD2 3.82Å; R337-Y340 HydrophobicContact CB-CE2 4.39Å; R337-Y340 HydrophobicContact CB-CG 4.2Å; R337-Y340 HydrophobicContact CG-CD2 4.25Å; R337-Y340 HydrophobicContact CG-CE2 4.35Å; R337-Y340 WeakPolarHBondContact O-CB 3.14Å; R337-Y340 PolarHBondContact O-N 3.27Å; R337-E362 IonicContact CZ-OE2 3.81Å; R337-E362 VanDerWaalsContact NH1-CG 3.26Å; R337-E362 IonicContact NH1-OE1 3.69Å; R337-E362 IonicContact NH1-OE2 3.77Å; R337-E362 PolarHBondContact NH1-OE2 2.83Å; R337-E362 IonicContact NH2-OE2 3.36Å; R337-E362 PolarHBondContact NH2-OE2 3.35Å
338	I	92.1	Very high	92.4	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.051	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.1	-30.1	-177	-164.6	168.7	0	0	0	113.1	V302 T306 V319 K332 S336 Y340	V302-I338 HydrophobicContact CG1-CG1 4.45Å; T306-I338 HydrophobicContact CG2-CD1 4.11Å; V319-I338 HydrophobicContact CG2-CD1 4.01Å; K332-I338 HydrophobicContact CB-CG2 3.93Å; K332-I338 HydrophobicContact CD-CG2 3.6Å; K332-I338 HydrophobicContact CG-CG2 4.39Å; S336-I338 PolarHBondContact O-N 2.78Å; S336-I338 PolarHBondContact OG-N 3.07Å; I338-Y340 VanDerWaalsContact C-N 3.26Å; I338-Y340 PolarHBondContact O-N 3.46Å
339	D	91.5	Very high	91.9	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.241	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-72.8	-18.6	177.3	-57.1	-45.4	0	0	0	112.8	K332 R337 P341	K332-D339 IonicContact NZ-OD1 3.05Å; K332-D339 PolarHBondContact NZ-OD1 3.01Å; K332-D339 IonicContact NZ-OD2 2.8Å; K332-D339 PolarHBondContact NZ-OD2 2.98Å; R337-D339 PolarHBondContact O-N 3.09Å; D339-P341 WeakPolarHBondContact O-CD 3.46Å
340	Y	93.6	Very high	91.4	Very high	47 Å²	47	37.8 Å²	37.8	18%	0.184	20%	0.197	C	C	.	.	S	Bend	trans	-79.6	123.5	-174.6	-69.1	-117.3	0	0	0	109.6	R337 I338 T342 V366 M369	R337-Y340 HydrophobicContact CB-CD2 3.82Å; R337-Y340 HydrophobicContact CB-CE2 4.39Å; R337-Y340 HydrophobicContact CB-CG 4.2Å; R337-Y340 HydrophobicContact CG-CD2 4.25Å; R337-Y340 HydrophobicContact CG-CE2 4.35Å; R337-Y340 WeakPolarHBondContact O-CB 3.14Å; R337-Y340 PolarHBondContact O-N 3.27Å; I338-Y340 VanDerWaalsContact C-N 3.26Å; I338-Y340 PolarHBondContact O-N 3.46Å; Y340-T342 PolarHBondContact O-N 3.13Å; Y340-V366 HydrophobicContact CD1-CG2 4.22Å; Y340-V366 HydrophobicContact CE1-CB 4.43Å; Y340-V366 HydrophobicContact CE1-CG2 3.84Å; Y340-M369 HydrophobicContact CD1-CB 4.12Å; Y340-M369 HydrophobicContact CD1-CG 4.5Å; Y340-M369 HydrophobicContact CD1-SD 3.51Å; Y340-M369 VanDerWaalsContact CD1-SD 3.51Å; Y340-M369 HydrophobicContact CD2-SD 3.97Å; Y340-M369 HydrophobicContact CE1-CB 4.49Å; Y340-M369 HydrophobicContact CE1-SD 3.22Å; Y340-M369 WeakPolarHBondContact CE1-SD 3.39Å; Y340-M369 HydrophobicContact CE2-CE 4.12Å; Y340-M369 HydrophobicContact CE2-SD 3.7Å; Y340-M369 HydrophobicContact CG-SD 3.87Å
341	P	95.3	Very high	91	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.084	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-68.5	123.7	176.1	25.4	-29.9	0	0	0	110.3	D339 A368 K485 W489	D339-P341 WeakPolarHBondContact O-CD 3.46Å; P341-A368 HydrophobicContact CG-CB 3.8Å; P341-K485 HydrophobicContact CB-CD 3.66Å; P341-K485 HydrophobicContact CB-CG 4.35Å; P341-W489 HydrophobicContact CB-CZ2 4.03Å
342	T	95.3	Very high	90.5	Very high	23 Å²	23	40.1 Å²	40.1	14%	0.141	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.2	152.1	176.6	60.1	0	0	0	0	111.3	Y315 Y340 E345 K485	Y315-T342 HydrophobicContact CD2-CG2 3.8Å; Y315-T342 HydrophobicContact CE2-CG2 4.39Å; Y340-T342 PolarHBondContact O-N 3.13Å; T342-E345 WeakPolarHBondContact CB-OE2 3.27Å; T342-E345 PolarHBondContact OG1-OE2 3.26Å; T342-K485 VanDerWaalsContact O-CD 3.24Å; T342-K485 WeakPolarHBondContact O-CD 3.46Å; T342-K485 VanDerWaalsContact O-CE 3.26Å; T342-K485 WeakPolarHBondContact O-CE 3.44Å; T342-K485 PolarHBondContact O-NZ 3.49Å
343	V	95.1	Very high	90.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	22%	0.221	C	C	.	.	S	Bend	trans	-123.4	121.4	-177.6	-176.4	0	0	0	0	109.9	E345 L364 A368 N451 W453	V343-E345 PolarHBondContact O-N 3.06Å; V343-L364 HydrophobicContact CB-CB 4Å; V343-L364 HydrophobicContact CG1-CB 4.38Å; V343-L364 HydrophobicContact CG1-CD1 4.39Å; V343-L364 HydrophobicContact CG2-CB 4.06Å; V343-L364 WeakPolarHBondContact CG2-O 3.48Å; V343-A368 HydrophobicContact CG2-CB 3.6Å; V343-N451 WeakPolarHBondContact CG2-ND2 3.46Å; V343-W453 VanDerWaalsContact CG1-CD1 3.43Å; V343-W453 HydrophobicContact CG1-CG 4.39Å
344	S	94.4	Very high	89.6	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.035	24%	0.237	C	C	.	.	S	Bend	trans	55.4	31.6	179.9	-63	0	0	0	0	113.9	T346 A347 W453 N481 N482	S344-T346 PolarHBondContact O-N 3.38Å; S344-A347 WeakPolarHBondContact O-CB 3.44Å; S344-A347 PolarHBondContact O-N 3.49Å; S344-W453 PolarHBondContact OG-NE1 3.48Å; S344-N481 CarbonylContact C-O 3.59Å; S344-N481 VanDerWaalsContact CA-O 3.26Å; S344-N481 WeakPolarHBondContact CA-O 3.32Å; S344-N482 PolarHBondContact N-OD1 2.68Å
345	E	94	Very high	89.2	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.033	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-41.1	-177.4	175	-179.3	179.6	0	0	113.1	V314 Y315 T342 V343 N481	V314-E345 HydrophobicContact CB-CG 3.86Å; V314-E345 HydrophobicContact CG2-CG 4.37Å; V314-E345 PolarHBondContact N-OE1 3.01Å; Y315-E345 HydrophobicContact CD1-CG 4.18Å; Y315-E345 HydrophobicContact CD2-CB 4.1Å; Y315-E345 HydrophobicContact CD2-CG 3.72Å; Y315-E345 HydrophobicContact CE1-CG 4.35Å; Y315-E345 HydrophobicContact CE2-CB 3.82Å; Y315-E345 HydrophobicContact CE2-CG 3.88Å; Y315-E345 HydrophobicContact CG-CG 3.89Å; Y315-E345 PolarHBondContact N-OE1 3.43Å; T342-E345 WeakPolarHBondContact CB-OE2 3.27Å; T342-E345 PolarHBondContact OG1-OE2 3.26Å; V343-E345 PolarHBondContact O-N 3.06Å; E345-N481 PolarHBondContact N-O 2.92Å
346	T	93.2	Very high	89.2	Confident	33 Å²	33	46.3 Å²	46.3	20%	0.202	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	11.6	-176	63.3	0	0	0	0	112.7	V314 S344 K480 N481 N482 S483	V314-T346 HydrophobicContact CG2-CG2 4.07Å; S344-T346 PolarHBondContact O-N 3.38Å; T346-K480 CarbonylContact C-O 3.59Å; T346-K480 VanDerWaalsContact O-O 3.09Å; T346-K480 PolarHBondContact OG1-O 2.63Å; T346-N481 PolarHBondContact N-O 3.29Å; T346-N481 PolarHBondContact OG1-O 3.48Å; T346-N481 VanDerWaalsContact OG1-O 3.11Å; T346-N482 PolarHBondContact OG1-N 2.8Å; T346-S483 WeakPolarHBondContact OG1-CB 3.07Å; T346-S483 PolarHBondContact OG1-N 3.36Å
347	A	92	Very high	89.4	Confident	14 Å²	14	47.4 Å²	47.4	12%	0.116	26%	0.261	C	S	.	.	S	Bend	trans	-63.1	156	173.3	0	0	0	0	0	110.9	S344 E349 N481	S344-A347 WeakPolarHBondContact O-CB 3.44Å; S344-A347 PolarHBondContact O-N 3.49Å; A347-E349 PolarHBondContact O-N 3.15Å; A347-N481 HydrophobicContact CB-CB 4.19Å; A347-N481 PolarHBondContact N-O 3.05Å
348	I	87.9	Confident	89.7	Confident	137 Å²	137	44 Å²	44	70%	0.703	25%	0.251	S	S	*	.	S	Bend	trans	-59	-39.7	174.3	-67.5	168.6	0	0	0	110.2
349	E	86	Confident	89.7	Confident	117 Å²	117	44.6 Å²	44.6	55%	0.547	26%	0.255	S	S	.	.	S	Bend	trans	-122.6	91.3	174.8	-171.9	171.2	-164	0	0	107.8	A347	A347-E349 PolarHBondContact O-N 3.15Å
350	P	88.2	Confident	89.7	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.039	25%	0.245	C	C	.	.			trans	-68.8	157.2	176.3	28.5	-32.8	0	0	0	110.1	Q352	P350-Q352 WeakPolarHBondContact O-CG 3.48Å; P350-Q352 PolarHBondContact O-N 3.41Å; P350-Q352 PolarHBondContact O-NE2 2.92Å
351	P	89.2	Confident	89.6	Confident	8 Å²	8	42.3 Å²	42.3	5%	0.052	25%	0.249	C	C	.	.			trans	-53.6	133.4	176.4	-23.2	32.9	0	0	0	111.6	P361 L364 W453	P351-P361 HydrophobicContact CB-CG 4.27Å; P351-P361 WeakPolarHBondContact O-CG 3.31Å; P351-L364 HydrophobicContact CB-CD1 3.97Å; P351-L364 HydrophobicContact CG-CD1 3.78Å; P351-W453 HydrophobicContact CG-CH2 4.23Å; P351-W453 HydrophobicContact CG-CZ2 3.88Å
352	Q	85.6	Confident	89.4	Confident	52 Å²	52	46.9 Å²	46.9	24%	0.243	27%	0.269	C	S	.	.			trans	-123.9	8.4	-177.7	-63.7	-62.7	-68.9	0	0	112.9	K205 P350	K205-Q352 PolarHBondContact NZ-O 3.04Å; P350-Q352 WeakPolarHBondContact O-CG 3.48Å; P350-Q352 PolarHBondContact O-N 3.41Å; P350-Q352 PolarHBondContact O-NE2 2.92Å
353	D	85.9	Confident	89.4	Confident	66 Å²	66	48.9 Å²	48.9	35%	0.353	28%	0.278	S	S	.	.			trans	-67.4	145.8	176.5	-81.1	10.3	0	0	0	110	S357 N359 S360 P361	D353-S357 PolarHBondContact OD2-OG 3.14Å; D353-N359 WeakPolarHBondContact OD2-CB 2.96Å; D353-S360 WeakPolarHBondContact O-CA 3Å; D353-S360 WeakPolarHBondContact O-CB 3.5Å; D353-P361 WeakPolarHBondContact O-CD 3.37Å
354	E	80.4	Confident	89.4	Confident	90 Å²	90	48.7 Å²	48.7	42%	0.421	28%	0.277	S	S	.	.			trans	-128.1	160.3	-175.5	-51.8	-74.6	176.3	0	0	109.9	K205	K205-E354 WeakPolarHBondContact CD-OE1 3.42Å; K205-E354 IonicContact NZ-OE1 2.95Å; K205-E354 PolarHBondContact NZ-OE1 3.36Å; K205-E354 VanDerWaalsContact NZ-OE1 3.1Å
355	G	76.2	Confident	89.4	Confident	60 Å²	60	49.1 Å²	49.1	62%	0.619	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-137.6	172.5	0	0	0	0	0	112.4	S357	G355-S357 PolarHBondContact O-N 2.82Å; G355-S357 VanDerWaalsContact O-N 3.11Å
356	S	84.6	Confident	89.4	Confident	93 Å²	93	52.2 Å²	52.2	65%	0.65	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	4.8	-175	61.7	0	0	0	0	115.2	I358	S356-I358 PolarHBondContact O-N 3.05Å
357	S	90.5	Very high	89.5	Confident	34 Å²	34	51.3 Å²	51.3	24%	0.238	29%	0.294	C	S	.	.			trans	-63.2	130.7	174.8	-179.4	0	0	0	0	110.1	D353 G355 N359 S360 N363	D353-S357 PolarHBondContact OD2-OG 3.14Å; G355-S357 PolarHBondContact O-N 2.82Å; G355-S357 VanDerWaalsContact O-N 3.11Å; S357-N359 PolarHBondContact O-N 3.34Å; S357-N359 PolarHBondContact OG-N 3.14Å; S357-S360 PolarHBondContact O-N 3.11Å; S357-S360 PolarHBondContact O-OG 2.7Å; S357-S360 VanDerWaalsContact O-OG 3.14Å; S357-N363 PolarHBondContact O-ND2 3.11Å
358	I	91.8	Very high	89.7	Confident	59 Å²	59	50.7 Å²	50.7	30%	0.303	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.5	173.2	62.4	171.2	0	0	0	113.4	S356 R508 R512	S356-I358 PolarHBondContact O-N 3.05Å; I358-R508 PolarHBondContact O-NH2 2.79Å; I358-R512 WeakPolarHBondContact CD1-O 3.04Å
359	N	92.9	Very high	90	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.123	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	13	-179.6	-59.4	-31.1	0	0	0	112.4	D353 S357 L364 W453 R508	D353-N359 WeakPolarHBondContact OD2-CB 2.96Å; S357-N359 PolarHBondContact O-N 3.34Å; S357-N359 PolarHBondContact OG-N 3.14Å; N359-L364 WeakPolarHBondContact O-CD1 3.22Å; N359-W453 HydrophobicContact CB-CE3 4.31Å; N359-W453 HydrophobicContact CB-CZ3 4.09Å; N359-R508 PolarHBondContact OD1-NH1 3.35Å; N359-R508 PolarHBondContact OD1-NH2 3.3Å
360	S	91.6	Very high	90.5	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.042	25%	0.248	C	C	.	.	S	Bend	trans	-63.3	146.5	168.5	66.4	0	0	0	0	109.8	D353 S357 E362 N363 L364	D353-S360 WeakPolarHBondContact O-CA 3Å; D353-S360 WeakPolarHBondContact O-CB 3.5Å; S357-S360 PolarHBondContact O-N 3.11Å; S357-S360 PolarHBondContact O-OG 2.7Å; S357-S360 VanDerWaalsContact O-OG 3.14Å; S360-E362 PolarHBondContact O-N 2.83Å; S360-E362 VanDerWaalsContact O-N 3.11Å; S360-N363 PolarHBondContact O-N 2.88Å; S360-N363 VanDerWaalsContact O-N 3.14Å; S360-N363 WeakPolarHBondContact OG-CB 3.41Å; S360-N363 VanDerWaalsContact OG-CG 3.26Å; S360-N363 PolarHBondContact OG-N 2.88Å; S360-N363 PolarHBondContact OG-ND2 2.76Å; S360-L364 WeakPolarHBondContact O-CB 3.29Å; S360-L364 WeakPolarHBondContact O-CG 3.46Å; S360-L364 PolarHBondContact O-N 2.78Å
361	P	92.2	Very high	90.9	Very high	39 Å²	39	43 Å²	43	25%	0.253	25%	0.246	S	C	.	.	H	α-helix	trans	-52.2	-36.4	179.9	-27.4	33.6	0	0	0	113.2	P351 D353 A365	P351-P361 HydrophobicContact CB-CG 4.27Å; P351-P361 WeakPolarHBondContact O-CG 3.31Å; D353-P361 WeakPolarHBondContact O-CD 3.37Å; P361-A365 WeakPolarHBondContact O-CB 3.47Å; P361-A365 PolarHBondContact O-N 3.31Å
362	E	90.9	Very high	91.3	Very high	108 Å²	108	43.4 Å²	43.4	51%	0.505	25%	0.248	S	C	.	.	H	α-helix	trans	-67.2	-51.5	178.3	-59.3	-171.8	-164.2	0	0	112	R337 S360 L364 A365 V366	R337-E362 IonicContact CZ-OE2 3.81Å; R337-E362 VanDerWaalsContact NH1-CG 3.26Å; R337-E362 IonicContact NH1-OE1 3.69Å; R337-E362 IonicContact NH1-OE2 3.77Å; R337-E362 PolarHBondContact NH1-OE2 2.83Å; R337-E362 IonicContact NH2-OE2 3.36Å; R337-E362 PolarHBondContact NH2-OE2 3.35Å; S360-E362 PolarHBondContact O-N 2.83Å; S360-E362 VanDerWaalsContact O-N 3.11Å; E362-L364 VanDerWaalsContact C-N 3.31Å; E362-L364 PolarHBondContact O-N 2.84Å; E362-A365 PolarHBondContact O-N 3.13Å; E362-A365 VanDerWaalsContact O-N 3.15Å; E362-V366 WeakPolarHBondContact O-CG2 3.46Å; E362-V366 PolarHBondContact O-N 3.11Å
363	N	94.1	Very high	91.7	Very high	65 Å²	65	43 Å²	43	35%	0.348	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-35.3	-180	-70.4	-25.4	0	0	0	111.8	S357 S360 A365 V366 E367	S357-N363 PolarHBondContact O-ND2 3.11Å; S360-N363 PolarHBondContact O-N 2.88Å; S360-N363 VanDerWaalsContact O-N 3.14Å; S360-N363 WeakPolarHBondContact OG-CB 3.41Å; S360-N363 VanDerWaalsContact OG-CG 3.26Å; S360-N363 PolarHBondContact OG-N 2.88Å; S360-N363 PolarHBondContact OG-ND2 2.76Å; N363-A365 VanDerWaalsContact C-N 3.35Å; N363-V366 PolarHBondContact O-N 3.46Å; N363-E367 WeakPolarHBondContact O-CB 3.37Å; N363-E367 PolarHBondContact O-N 3.37Å
364	L	95.2	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-37.7	173.5	-71.2	175.6	0	0	0	112.1	V343 P351 N359 S360 E362 A368 W453	V343-L364 HydrophobicContact CB-CB 4Å; V343-L364 HydrophobicContact CG1-CB 4.38Å; V343-L364 HydrophobicContact CG1-CD1 4.39Å; V343-L364 HydrophobicContact CG2-CB 4.06Å; V343-L364 WeakPolarHBondContact CG2-O 3.48Å; P351-L364 HydrophobicContact CB-CD1 3.97Å; P351-L364 HydrophobicContact CG-CD1 3.78Å; N359-L364 WeakPolarHBondContact O-CD1 3.22Å; S360-L364 WeakPolarHBondContact O-CB 3.29Å; S360-L364 WeakPolarHBondContact O-CG 3.46Å; S360-L364 PolarHBondContact O-N 2.78Å; E362-L364 VanDerWaalsContact C-N 3.31Å; E362-L364 PolarHBondContact O-N 2.84Å; L364-A368 VanDerWaalsContact O-CB 3.24Å; L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 2.69Å; L364-W453 HydrophobicContact CD1-CD2 4.16Å; L364-W453 HydrophobicContact CD1-CE3 4.37Å; L364-W453 HydrophobicContact CD2-CB 3.73Å; L364-W453 HydrophobicContact CD2-CD2 4.09Å; L364-W453 HydrophobicContact CD2-CE3 4.32Å; L364-W453 HydrophobicContact CD2-CG 3.85Å
365	A	94.7	Very high	93	Very high	15 Å²	15	36 Å²	36	12%	0.124	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-41.6	176.4	0	0	0	0	0	111.6	P361 E362 N363 A368 M369	P361-A365 WeakPolarHBondContact O-CB 3.47Å; P361-A365 PolarHBondContact O-N 3.31Å; E362-A365 PolarHBondContact O-N 3.13Å; E362-A365 VanDerWaalsContact O-N 3.15Å; N363-A365 VanDerWaalsContact C-N 3.35Å; A365-A368 PolarHBondContact O-N 3.23Å; A365-M369 WeakPolarHBondContact O-CB 3.44Å; A365-M369 PolarHBondContact O-N 3.1Å
366	V	94.3	Very high	94	Very high	71 Å²	71	33.4 Å²	33.4	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-61.1	-47	173.7	175.6	0	0	0	0	110.8	Y340 E362 N363 A368 M369 Y370	Y340-V366 HydrophobicContact CD1-CG2 4.22Å; Y340-V366 HydrophobicContact CE1-CB 4.43Å; Y340-V366 HydrophobicContact CE1-CG2 3.84Å; E362-V366 WeakPolarHBondContact O-CG2 3.46Å; E362-V366 PolarHBondContact O-N 3.11Å; N363-V366 PolarHBondContact O-N 3.46Å; V366-A368 PolarHBondContact O-N 3.01Å; V366-M369 WeakPolarHBondContact O-CB 3.22Å; V366-M369 PolarHBondContact O-N 3.07Å; V366-Y370 WeakPolarHBondContact O-CB 3.46Å; V366-Y370 PolarHBondContact O-N 2.88Å
367	E	95.5	Very high	94.5	Very high	15 Å²	15	29 Å²	29	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-45.3	175.7	-178.9	-170	-163.8	0	0	111.5	N363 M369 Y370 I371 R508 H517	N363-E367 WeakPolarHBondContact O-CB 3.37Å; N363-E367 PolarHBondContact O-N 3.37Å; E367-M369 VanDerWaalsContact C-N 3.32Å; E367-M369 PolarHBondContact O-N 3.16Å; E367-Y370 WeakPolarHBondContact O-CB 3.45Å; E367-Y370 PolarHBondContact O-N 3.34Å; E367-I371 HydrophobicContact CG-CD1 3.88Å; E367-I371 HydrophobicContact CG-CG1 4.42Å; E367-I371 VanDerWaalsContact O-CG1 3.3Å; E367-I371 WeakPolarHBondContact O-CG1 3.27Å; E367-I371 PolarHBondContact O-N 3.34Å; E367-R508 WeakPolarHBondContact OE1-CG 3.4Å; E367-R508 IonicContact OE1-CZ 2.81Å; E367-R508 IonicContact OE1-NE 3.16Å; E367-R508 PolarHBondContact OE1-NE 3.06Å; E367-R508 IonicContact OE1-NH2 2.96Å; E367-R508 IonicContact OE2-CZ 3.59Å; E367-R508 IonicContact OE2-NE 2.77Å; E367-R508 PolarHBondContact OE2-NE 2.87Å; E367-R508 IonicContact OE2-NH2 3.58Å; E367-R508 PolarHBondContact OE2-NH2 3.37Å; E367-H517 IonicContact OE1-CD2 2.77Å; E367-H517 IonicContact OE1-CE1 3.58Å; E367-H517 IonicContact OE1-NE2 3.44Å; E367-H517 PolarHBondContact OE1-NE2 3.49Å
368	A	96.4	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-38	179.9	0	0	0	0	0	112.2	P341 V343 L364 A365 V366 I371 N372	P341-A368 HydrophobicContact CG-CB 3.8Å; V343-A368 HydrophobicContact CG2-CB 3.6Å; L364-A368 VanDerWaalsContact O-CB 3.24Å; L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 2.69Å; A365-A368 PolarHBondContact O-N 3.23Å; V366-A368 PolarHBondContact O-N 3.01Å; A368-I371 PolarHBondContact O-N 2.92Å; A368-N372 WeakPolarHBondContact O-CB 3.37Å; A368-N372 PolarHBondContact O-N 2.7Å; A368-N372 PolarHBondContact O-ND2 2.93Å
369	M	95	Very high	95	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-48	172.4	-177.7	-177	-175.8	0	0	111.2	Y340 A365 V366 E367 I371 N372 R373 F602	Y340-M369 HydrophobicContact CD1-CB 4.12Å; Y340-M369 HydrophobicContact CD1-CG 4.5Å; Y340-M369 HydrophobicContact CD1-SD 3.51Å; Y340-M369 VanDerWaalsContact CD1-SD 3.51Å; Y340-M369 HydrophobicContact CD2-SD 3.97Å; Y340-M369 HydrophobicContact CE1-CB 4.49Å; Y340-M369 HydrophobicContact CE1-SD 3.22Å; Y340-M369 WeakPolarHBondContact CE1-SD 3.39Å; Y340-M369 HydrophobicContact CE2-CE 4.12Å; Y340-M369 HydrophobicContact CE2-SD 3.7Å; Y340-M369 HydrophobicContact CG-SD 3.87Å; A365-M369 WeakPolarHBondContact O-CB 3.44Å; A365-M369 PolarHBondContact O-N 3.1Å; V366-M369 WeakPolarHBondContact O-CB 3.22Å; V366-M369 PolarHBondContact O-N 3.07Å; E367-M369 VanDerWaalsContact C-N 3.32Å; E367-M369 PolarHBondContact O-N 3.16Å; M369-I371 VanDerWaalsContact C-N 3.35Å; M369-I371 PolarHBondContact O-N 2.73Å; M369-N372 PolarHBondContact O-N 3.4Å; M369-R373 PolarHBondContact O-N 2.88Å; M369-F602 HydrophobicContact CE-CE1 4.38Å; M369-F602 HydrophobicContact CE-CZ 3.91Å
370	Y	94.9	Very high	95.2	Very high	81 Å²	81	23.8 Å²	23.8	32%	0.318	12%	0.122	S	C	.	.	H	α-helix	trans	-59.7	-43.9	177.3	178.8	-98.6	0	0	0	112	R270 V366 E367 N372 R373 N374	R270-Y370 VanDerWaalsContact CB-OH 3.27Å; R270-Y370 WeakPolarHBondContact CB-OH 3.31Å; R270-Y370 WeakPolarHBondContact CD-OH 3.45Å; R270-Y370 WeakPolarHBondContact CG-OH 3.36Å; R270-Y370 PolarHBondContact NE-OH 3.07Å; V366-Y370 WeakPolarHBondContact O-CB 3.46Å; V366-Y370 PolarHBondContact O-N 2.88Å; E367-Y370 WeakPolarHBondContact O-CB 3.45Å; E367-Y370 PolarHBondContact O-N 3.34Å; Y370-N372 PolarHBondContact O-N 3.3Å; Y370-R373 PolarHBondContact O-N 3.24Å; Y370-N374 WeakPolarHBondContact CD1-ND2 3.41Å; Y370-N374 WeakPolarHBondContact CE1-ND2 3.47Å; Y370-N374 WeakPolarHBondContact CE2-ND2 3.35Å; Y370-N374 PolarHBondContact O-N 3.11Å; Y370-N374 PolarHBondContact O-ND2 3.35Å; Y370-N374 PolarHBondContact OH-ND2 3.34Å
371	I	97	Very high	95.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-46.1	175	-70	166.4	0	0	0	110.9	L268 E367 A368 M369 N374 F375 A449 N451 V506	L268-I371 HydrophobicContact CD2-CB 4.39Å; L268-I371 HydrophobicContact CD2-CG1 4.2Å; L268-I371 HydrophobicContact CD2-CG2 4.25Å; E367-I371 HydrophobicContact CG-CD1 3.88Å; E367-I371 HydrophobicContact CG-CG1 4.42Å; E367-I371 VanDerWaalsContact O-CG1 3.3Å; E367-I371 WeakPolarHBondContact O-CG1 3.27Å; E367-I371 PolarHBondContact O-N 3.34Å; A368-I371 PolarHBondContact O-N 2.92Å; M369-I371 VanDerWaalsContact C-N 3.35Å; M369-I371 PolarHBondContact O-N 2.73Å; I371-N374 PolarHBondContact O-N 3.17Å; I371-F375 WeakPolarHBondContact O-CB 3.47Å; I371-F375 PolarHBondContact O-N 3.46Å; I371-A449 HydrophobicContact CG2-CB 3.95Å; I371-N451 HydrophobicContact CD1-CB 3.66Å; I371-V506 HydrophobicContact CD1-CG1 4.44Å; I371-V506 HydrophobicContact CG1-CG1 4.48Å; I371-V506 HydrophobicContact CG2-CB 3.78Å; I371-V506 HydrophobicContact CG2-CG1 3.77Å; I371-V506 HydrophobicContact CG2-CG2 3.87Å
372	N	96.9	Very high	95.1	Very high	18 Å²	18	28 Å²	28	10%	0.096	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-44.3	-178.9	-88.2	-94.4	0	0	0	111.9	A368 M369 Y370 S376 A449	A368-N372 WeakPolarHBondContact O-CB 3.37Å; A368-N372 PolarHBondContact O-N 2.7Å; A368-N372 PolarHBondContact O-ND2 2.93Å; M369-N372 PolarHBondContact O-N 3.4Å; Y370-N372 PolarHBondContact O-N 3.3Å; N372-S376 WeakPolarHBondContact O-CB 3.34Å; N372-S376 PolarHBondContact O-N 3.45Å; N372-S376 PolarHBondContact O-OG 3.06Å; N372-A449 PolarHBondContact ND2-O 3.37Å; N372-A449 PolarHBondContact OD1-N 3.12Å
373	R	95	Very high	94.7	Very high	43 Å²	43	30 Å²	30	16%	0.162	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-47.7	176.2	-77.6	-177	170.7	-172.5	-4.4	112	F275 M369 Y370 S376 Q377	F275-R373 HydrophobicContact CD1-CG 4.1Å; F275-R373 HydrophobicContact CD2-CB 4.2Å; F275-R373 HydrophobicContact CD2-CG 3.88Å; F275-R373 HydrophobicContact CE1-CB 4.21Å; F275-R373 HydrophobicContact CE1-CG 4.03Å; F275-R373 HydrophobicContact CE2-CB 3.63Å; F275-R373 HydrophobicContact CE2-CG 3.82Å; F275-R373 HydrophobicContact CG-CG 4.01Å; F275-R373 HydrophobicContact CZ-CB 3.63Å; F275-R373 HydrophobicContact CZ-CG 3.88Å; F275-R373 WeakPolarHBondContact CZ-O 3.32Å; M369-R373 PolarHBondContact O-N 2.88Å; Y370-R373 PolarHBondContact O-N 3.24Å; R373-S376 PolarHBondContact O-OG 3.29Å; R373-S376 VanDerWaalsContact O-OG 3.09Å; R373-Q377 WeakPolarHBondContact O-CG 3.48Å
374	N	96.4	Very high	94.5	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-68.9	-44.9	179.8	-70.8	-54.1	0	0	0	112.1	L268 M269 I271 Y370 I371 S376 Q377 Q378	L268-N374 HydrophobicContact CD1-CB 4.19Å; L268-N374 HydrophobicContact CD2-CB 4.12Å; L268-N374 HydrophobicContact CG-CB 4.1Å; M269-N374 WeakPolarHBondContact O-CB 3.3Å; M269-N374 PolarHBondContact O-OD1 2.87Å; I271-N374 WeakPolarHBondContact CD1-O 3.01Å; I271-N374 PolarHBondContact N-OD1 3.35Å; Y370-N374 WeakPolarHBondContact CD1-ND2 3.41Å; Y370-N374 WeakPolarHBondContact CE1-ND2 3.47Å; Y370-N374 WeakPolarHBondContact CE2-ND2 3.35Å; Y370-N374 PolarHBondContact O-N 3.11Å; Y370-N374 PolarHBondContact O-ND2 3.35Å; Y370-N374 PolarHBondContact OH-ND2 3.34Å; I371-N374 PolarHBondContact O-N 3.17Å; N374-S376 PolarHBondContact O-N 2.91Å; N374-Q377 PolarHBondContact O-N 3.27Å; N374-Q378 VanDerWaalsContact O-CB 3.26Å; N374-Q378 WeakPolarHBondContact O-CB 3.47Å; N374-Q378 PolarHBondContact O-N 3.4Å
375	F	97.3	Very high	94.2	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-42.4	-178.3	179.6	-99.5	0	0	0	111.8	L268 I371 Q377 Q378 V379 I447 A449 G504 V506 I519 T522	L268-F375 HydrophobicContact CD1-CB 4.02Å; L268-F375 HydrophobicContact CD1-CD2 4.43Å; I371-F375 WeakPolarHBondContact O-CB 3.47Å; I371-F375 PolarHBondContact O-N 3.46Å; F375-Q377 PolarHBondContact O-N 2.97Å; F375-Q378 PolarHBondContact O-N 3.36Å; F375-V379 HydrophobicContact CD2-CG1 3.92Å; F375-V379 HydrophobicContact CE1-CG1 4.2Å; F375-V379 HydrophobicContact CE2-CG1 3.43Å; F375-V379 VanDerWaalsContact CE2-CG1 3.43Å; F375-V379 HydrophobicContact CG-CG1 4.48Å; F375-V379 HydrophobicContact CZ-CG1 3.58Å; F375-V379 VanDerWaalsContact O-CG2 3.28Å; F375-V379 WeakPolarHBondContact O-CG2 2.97Å; F375-V379 PolarHBondContact O-N 3.41Å; F375-I447 HydrophobicContact CD1-CG2 3.87Å; F375-I447 HydrophobicContact CE1-CG2 3.65Å; F375-A449 HydrophobicContact CB-CB 3.92Å; F375-A449 HydrophobicContact CD1-CB 3.73Å; F375-A449 HydrophobicContact CE1-CB 4.49Å; F375-A449 HydrophobicContact CG-CB 3.88Å; F375-G504 VanDerWaalsContact CE1-CA 3.48Å; F375-V506 HydrophobicContact CD2-CG2 4.16Å; F375-I519 HydrophobicContact CD2-CD1 3.95Å; F375-I519 HydrophobicContact CD2-CG1 4.21Å; F375-I519 HydrophobicContact CE2-CD1 4.15Å; F375-I519 HydrophobicContact CE2-CG1 4.43Å; F375-I519 HydrophobicContact CE2-CG2 4.02Å; F375-T522 HydrophobicContact CE2-CG2 4.41Å; F375-T522 HydrophobicContact CZ-CG2 4.06Å
376	S	96.3	Very high	94.1	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-31.9	-178.7	69.4	0	0	0	0	112.8	N372 R373 N374 L380	N372-S376 WeakPolarHBondContact O-CB 3.34Å; N372-S376 PolarHBondContact O-N 3.45Å; N372-S376 PolarHBondContact O-OG 3.06Å; R373-S376 PolarHBondContact O-OG 3.29Å; R373-S376 VanDerWaalsContact O-OG 3.09Å; N374-S376 PolarHBondContact O-N 2.91Å; S376-L380 VanDerWaalsContact O-CD1 3.31Å; S376-L380 WeakPolarHBondContact O-CD1 3.33Å; S376-L380 WeakPolarHBondContact O-CG 3.28Å
377	Q	95.7	Very high	94.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-89.8	-37.6	178.2	-55.6	-59.1	-63.4	0	0	112.3	I271 F275 R373 N374 F375 V379 L380 M382 S409	I271-Q377 HydrophobicContact CD1-CB 4.1Å; I271-Q377 HydrophobicContact CG2-CB 3.91Å; I271-Q377 HydrophobicContact CG2-CG 4.47Å; F275-Q377 HydrophobicContact CE1-CG 4.24Å; F275-Q377 HydrophobicContact CZ-CG 3.61Å; R373-Q377 WeakPolarHBondContact O-CG 3.48Å; N374-Q377 PolarHBondContact O-N 3.27Å; F375-Q377 PolarHBondContact O-N 2.97Å; Q377-V379 VanDerWaalsContact C-N 3.28Å; Q377-V379 PolarHBondContact O-N 3.36Å; Q377-L380 WeakPolarHBondContact O-CB 3.21Å; Q377-L380 PolarHBondContact O-N 2.88Å; Q377-L380 VanDerWaalsContact O-N 3.16Å; Q377-M382 VanDerWaalsContact C-CE 3.49Å; Q377-M382 HydrophobicContact CB-CE 3.97Å; Q377-M382 WeakPolarHBondContact O-CE 3.44Å; Q377-S409 PolarHBondContact NE2-O 2.78Å
378	Q	96.4	Very high	94	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-34.9	-175.8	-178	166.6	-15.1	0	0	113.4	Y257 P267 M269 I271 N374 F375 L380	Y257-Q378 HydrophobicContact CE1-CG 4.23Å; Y257-Q378 VanDerWaalsContact OH-CG 3.32Å; Y257-Q378 WeakPolarHBondContact OH-CG 3.24Å; Y257-Q378 PolarHBondContact OH-O 3.05Å; Y257-Q378 VanDerWaalsContact OH-O 3.09Å; P267-Q378 PolarHBondContact O-NE2 3.08Å; M269-Q378 HydrophobicContact CE-CG 3.92Å; I271-Q378 VanDerWaalsContact CD1-CA 3.46Å; I271-Q378 HydrophobicContact CD1-CB 3.46Å; I271-Q378 VanDerWaalsContact CD1-CB 3.46Å; I271-Q378 HydrophobicContact CD1-CG 4.29Å; N374-Q378 VanDerWaalsContact O-CB 3.26Å; N374-Q378 WeakPolarHBondContact O-CB 3.47Å; N374-Q378 PolarHBondContact O-N 3.4Å; F375-Q378 PolarHBondContact O-N 3.36Å; Q378-L380 PolarHBondContact O-N 3.16Å
379	V	96.7	Very high	93.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.1	-178.1	-62	0	0	0	0	113.7	Y253 E254 Y257 F375 Q377 I447	Y253-V379 HydrophobicContact CD2-CB 4.27Å; Y253-V379 HydrophobicContact CD2-CG2 4.11Å; Y253-V379 WeakPolarHBondContact CD2-O 3.19Å; Y253-V379 HydrophobicContact CE2-CB 3.77Å; Y253-V379 HydrophobicContact CE2-CG2 3.87Å; E254-V379 PolarHBondContact N-O 3.39Å; Y257-V379 HydrophobicContact CD1-CB 4.45Å; Y257-V379 HydrophobicContact CD1-CG1 3.72Å; Y257-V379 HydrophobicContact CD2-CB 4.43Å; Y257-V379 HydrophobicContact CE1-CG1 4.11Å; Y257-V379 HydrophobicContact CG-CB 4.28Å; Y257-V379 HydrophobicContact CG-CG1 3.99Å; F375-V379 HydrophobicContact CD2-CG1 3.92Å; F375-V379 HydrophobicContact CE1-CG1 4.2Å; F375-V379 HydrophobicContact CE2-CG1 3.43Å; F375-V379 VanDerWaalsContact CE2-CG1 3.43Å; F375-V379 HydrophobicContact CG-CG1 4.48Å; F375-V379 HydrophobicContact CZ-CG1 3.58Å; F375-V379 VanDerWaalsContact O-CG2 3.28Å; F375-V379 WeakPolarHBondContact O-CG2 2.97Å; F375-V379 PolarHBondContact O-N 3.41Å; Q377-V379 VanDerWaalsContact C-N 3.28Å; Q377-V379 PolarHBondContact O-N 3.36Å; V379-I447 HydrophobicContact CG2-CD1 4.05Å; V379-I447 HydrophobicContact CG2-CG2 3.94Å
380	L	96.4	Very high	93.7	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-100.2	153.4	177.6	-55.4	178.1	0	0	0	109.8	E251 Y253 S376 Q377 Q378 M382 S409 D432 I447	E251-L380 HydrophobicContact CB-CB 3.85Å; E251-L380 HydrophobicContact CB-CD1 4.05Å; E251-L380 HydrophobicContact CB-CG 4.45Å; Y253-L380 HydrophobicContact CD2-CD2 4.39Å; S376-L380 VanDerWaalsContact O-CD1 3.31Å; S376-L380 WeakPolarHBondContact O-CD1 3.33Å; S376-L380 WeakPolarHBondContact O-CG 3.28Å; Q377-L380 WeakPolarHBondContact O-CB 3.21Å; Q377-L380 PolarHBondContact O-N 2.88Å; Q377-L380 VanDerWaalsContact O-N 3.16Å; Q378-L380 PolarHBondContact O-N 3.16Å; L380-M382 PolarHBondContact O-N 2.82Å; L380-M382 VanDerWaalsContact O-N 3.07Å; L380-S409 WeakPolarHBondContact CD1-OG 3.24Å; L380-D432 WeakPolarHBondContact CD1-O 3.49Å; L380-I447 HydrophobicContact CD2-CD1 3.73Å; L380-I447 HydrophobicContact CG-CD1 4.47Å
381	K	94.1	Very high	93.6	Very high	71 Å²	71	52.5 Å²	52.5	31%	0.309	24%	0.243	S	C	.	.			trans	-77.3	95.1	173.8	-61	-166.7	-177.5	-173.2	0	110	Y252 E254 E384	Y252-K381 WeakPolarHBondContact O-CG 3.41Å; Y252-K381 PolarHBondContact O-N 2.82Å; E254-K381 HydrophobicContact CB-CG 3.74Å; E254-K381 HydrophobicContact CG-CG 4.01Å; K381-E384 HydrophobicContact CB-CB 4.18Å; K381-E384 HydrophobicContact CB-CG 4.18Å; K381-E384 VanDerWaalsContact CD-CD 3.42Å; K381-E384 WeakPolarHBondContact CD-OE2 3.13Å; K381-E384 IonicContact NZ-OE1 3.7Å; K381-E384 IonicContact NZ-OE2 2.76Å; K381-E384 PolarHBondContact NZ-OE2 3.48Å
382	M	88.2	Confident	93.1	Very high	62 Å²	62	55 Å²	55	31%	0.305	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	144.1	177.1	-60	-171.9	-178.7	0	0	110.8	I271 Q377 L380 E384	I271-M382 HydrophobicContact CB-CE 4.44Å; I271-M382 HydrophobicContact CD1-CE 3.41Å; I271-M382 VanDerWaalsContact CD1-CE 3.41Å; I271-M382 HydrophobicContact CG1-CE 3.79Å; I271-M382 HydrophobicContact CG2-CE 3.83Å; Q377-M382 VanDerWaalsContact C-CE 3.49Å; Q377-M382 HydrophobicContact CB-CE 3.97Å; Q377-M382 WeakPolarHBondContact O-CE 3.44Å; L380-M382 PolarHBondContact O-N 2.82Å; L380-M382 VanDerWaalsContact O-N 3.07Å; M382-E384 PolarHBondContact O-N 2.85Å; M382-E384 VanDerWaalsContact O-N 3.1Å
383	D	82.8	Confident	92.7	Very high	151 Å²	151	60 Å²	60	81%	0.807	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	13	175	-49.1	-36.8	0	0	0	115.5
384	E	89.1	Confident	92.4	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	28%	0.284	S	S	.	.	S	Bend	trans	-94	178.8	169.3	-71.9	-167.7	-161.4	0	0	112.2	K381 M382 K386	K381-E384 HydrophobicContact CB-CB 4.18Å; K381-E384 HydrophobicContact CB-CG 4.18Å; K381-E384 VanDerWaalsContact CD-CD 3.42Å; K381-E384 WeakPolarHBondContact CD-OE2 3.13Å; K381-E384 IonicContact NZ-OE1 3.7Å; K381-E384 IonicContact NZ-OE2 2.76Å; K381-E384 PolarHBondContact NZ-OE2 3.48Å; M382-E384 PolarHBondContact O-N 2.85Å; M382-E384 VanDerWaalsContact O-N 3.1Å; E384-K386 PolarHBondContact O-N 3.48Å
385	E	89.6	Confident	92	Very high	165 Å²	165	60.3 Å²	60.3	77%	0.771	29%	0.294	S	S	*	.			trans	-57.6	133	174.8	-172.3	176.8	-173.9	0	0	110.9	Y252	Y252-E385 WeakPolarHBondContact CD2-O 3.26Å
386	K	92.6	Very high	91.6	Very high	65 Å²	65	61.1 Å²	61.1	28%	0.283	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.5	-178.7	-54.3	-171	-177.6	-167.8	0	110.4	L250 E251 E384 K388	L250-K386 CarbonylContact O-C 3.53Å; L250-K386 WeakPolarHBondContact O-CA 3.39Å; L250-K386 WeakPolarHBondContact O-CB 3.31Å; E251-K386 HydrophobicContact CG-CD 3.82Å; E251-K386 HydrophobicContact CG-CG 3.84Å; E251-K386 WeakPolarHBondContact OE1-CE 3.46Å; E251-K386 IonicContact OE1-NZ 3.38Å; E251-K386 PolarHBondContact OE1-NZ 2.83Å; E384-K386 PolarHBondContact O-N 3.48Å; K386-K388 PolarHBondContact O-N 3.5Å
387	Y	93.8	Very high	90.9	Very high	68 Å²	68	62.2 Å²	62.2	27%	0.267	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.6	163.8	-179.3	-87.9	0	0	0	109	S249 L250 F389 T442 F444	S249-Y387 CarbonylContact C-O 3.55Å; S249-Y387 WeakPolarHBondContact CA-O 3.44Å; L250-Y387 HydrophobicContact CD1-CD1 4.42Å; L250-Y387 PolarHBondContact N-O 2.85Å; L250-Y387 PolarHBondContact O-N 3.07Å; Y387-F389 HydrophobicContact CD1-CE2 4.48Å; Y387-F389 HydrophobicContact CE1-CD1 4.04Å; Y387-F389 AromaticContact CE1-CE1 3.91Å; Y387-F389 HydrophobicContact CE1-CE1 3.91Å; Y387-F389 HydrophobicContact CE1-CE2 4.45Å; Y387-F389 HydrophobicContact CE1-CG 4.38Å; Y387-F389 HydrophobicContact CE1-CZ 4.14Å; Y387-T442 HydrophobicContact CD2-CG2 3.86Å; Y387-T442 HydrophobicContact CE2-CG2 4.1Å; Y387-T442 HydrophobicContact CG-CG2 4.31Å; Y387-F444 HydrophobicContact CD1-CE1 4.11Å; Y387-F444 AromaticContact CE1-CE1 3.75Å; Y387-F444 HydrophobicContact CE1-CE1 3.75Å; Y387-F444 HydrophobicContact CE1-CZ 4Å; Y387-F444 AromaticContact CZ-CZ 3.97Å
388	K	93.6	Very high	89.9	Confident	144 Å²	144	65.8 Å²	65.8	63%	0.626	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.6	179	-65.3	-179.2	-178.9	-175.9	0	109.7	K386 P392	K386-K388 PolarHBondContact O-N 3.5Å; K388-P392 HydrophobicContact CB-CB 4.29Å; K388-P392 HydrophobicContact CD-CB 4.23Å; K388-P392 HydrophobicContact CG-CB 4.33Å
389	F	93.8	Very high	88.4	Confident	10 Å²	10	74.1 Å²	74.1	4%	0.044	36%	0.362	C	S	.	.			trans	-70.1	178	167.6	-77	-74.8	0	0	0	110.9	Q246 Y247 G248 L250 Y387 N391 R413 F444	Q246-F389 HydrophobicContact CB-CB 4.09Å; Q246-F389 HydrophobicContact CB-CD1 3.79Å; Q246-F389 HydrophobicContact CB-CG 4.2Å; Q246-F389 HydrophobicContact CG-CD1 4.39Å; Y247-F389 WeakPolarHBondContact O-CD2 3.19Å; G248-F389 WeakPolarHBondContact O-CD2 3.38Å; G248-F389 PolarHBondContact O-N 2.86Å; L250-F389 HydrophobicContact CD1-CE2 3.55Å; L250-F389 HydrophobicContact CD1-CZ 3.75Å; L250-F389 HydrophobicContact CD2-CE2 4.49Å; L250-F389 HydrophobicContact CG-CE2 3.74Å; L250-F389 HydrophobicContact CG-CZ 4.44Å; Y387-F389 HydrophobicContact CD1-CE2 4.48Å; Y387-F389 HydrophobicContact CE1-CD1 4.04Å; Y387-F389 AromaticContact CE1-CE1 3.91Å; Y387-F389 HydrophobicContact CE1-CE1 3.91Å; Y387-F389 HydrophobicContact CE1-CE2 4.45Å; Y387-F389 HydrophobicContact CE1-CG 4.38Å; Y387-F389 HydrophobicContact CE1-CZ 4.14Å; F389-N391 PolarHBondContact O-N 3.29Å; F389-R413 HydrophobicContact CE1-CG 4.39Å; F389-F444 HydrophobicContact CE1-CE1 4.13Å; F389-F444 HydrophobicContact CZ-CD1 4.23Å; F389-F444 AromaticContact CZ-CE1 3.83Å; F389-F444 HydrophobicContact CZ-CE1 3.83Å
390	K	91.6	Very high	86.8	Confident	122 Å²	122	81.9 Å²	81.9	53%	0.53	40%	0.404	S	S	.	.	S	Bend	trans	-53	-43.4	176.9	-70.2	-178	172.7	-175.6	0	111.6	N244	N244-K390 PolarHBondContact OD1-NZ 2.97Å; N244-K390 VanDerWaalsContact OD1-NZ 3.08Å
391	N	92.4	Very high	85.1	Confident	54 Å²	54	82 Å²	82	29%	0.289	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-107.6	107.2	170.2	-54.1	-41.5	0	0	0	107.5	N244 Q246 Y247 G248 F389 D393	N244-N391 PolarHBondContact O-ND2 2.9Å; Q246-N391 WeakPolarHBondContact O-CB 3.45Å; Q246-N391 PolarHBondContact O-N 2.85Å; Y247-N391 CarbonylContact C-O 3.6Å; Y247-N391 WeakPolarHBondContact CA-O 3.28Å; Y247-N391 HydrophobicContact CD1-CB 3.42Å; Y247-N391 VanDerWaalsContact CD1-CB 3.42Å; Y247-N391 HydrophobicContact CE1-CB 3.6Å; Y247-N391 WeakPolarHBondContact CE1-ND2 3.49Å; Y247-N391 HydrophobicContact CG-CB 4.12Å; Y247-N391 VanDerWaalsContact CZ-ND2 3.26Å; Y247-N391 PolarHBondContact OH-ND2 3.42Å; G248-N391 PolarHBondContact N-O 3.35Å; F389-N391 PolarHBondContact O-N 3.29Å; N391-D393 VanDerWaalsContact C-N 3.25Å; N391-D393 PolarHBondContact O-N 2.9Å
392	P	87.4	Confident	83.2	Confident	53 Å²	53	84.1 Å²	84.1	34%	0.344	43%	0.426	S	S	.	.			trans	-71.3	-24.1	-176.4	27.9	-34.3	0	0	0	112.9	G248 K388	G248-P392 CarbonylContact C-O 3.48Å; G248-P392 WeakPolarHBondContact CA-O 3.42Å; K388-P392 HydrophobicContact CB-CB 4.29Å; K388-P392 HydrophobicContact CD-CB 4.23Å; K388-P392 HydrophobicContact CG-CB 4.33Å
393	D	88	Confident	81.7	Confident	125 Å²	125	82.2 Å²	82.2	67%	0.668	42%	0.419	S	S	*	.	S	Bend	trans	-81.6	148.1	-176.5	-52.9	-47.2	0	0	0	110.9	G248 N391	G248-D393 PolarHBondContact N-O 3.37Å; N391-D393 VanDerWaalsContact C-N 3.25Å; N391-D393 PolarHBondContact O-N 2.9Å
394	V	89	Confident	80.6	Confident	18 Å²	18	77.4 Å²	77.4	11%	0.109	40%	0.397	C	S	.	.			trans	-82.5	127	177.6	173.7	0	0	0	0	108.1	Y276 F396 A397 V407 Y412	Y276-V394 HydrophobicContact CD2-CG1 4.21Å; Y276-V394 HydrophobicContact CE2-CG1 4.25Å; V394-F396 HydrophobicContact CG1-CD2 3.48Å; V394-F396 VanDerWaalsContact CG1-CD2 3.48Å; V394-F396 HydrophobicContact CG1-CE1 4.21Å; V394-F396 HydrophobicContact CG1-CE2 3.02Å; V394-F396 HydrophobicContact CG1-CG 4.22Å; V394-F396 HydrophobicContact CG1-CZ 3.48Å; V394-F396 VanDerWaalsContact CG1-CZ 3.48Å; V394-F396 PolarHBondContact O-N 3.46Å; V394-F396 VanDerWaalsContact O-N 3.11Å; V394-A397 HydrophobicContact CB-CB 4.01Å; V394-A397 HydrophobicContact CG1-CB 4.3Å; V394-A397 WeakPolarHBondContact O-CB 3.35Å; V394-A397 PolarHBondContact O-N 3.31Å; V394-A397 VanDerWaalsContact O-N 3.1Å; V394-V407 HydrophobicContact CG2-CG1 3.94Å; V394-Y412 HydrophobicContact CG1-CE2 4.01Å; V394-Y412 HydrophobicContact CG2-CE2 4.33Å
395	P	87	Confident	79.5	Confident	34 Å²	34	78.4 Å²	78.4	22%	0.221	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.3	-163.6	26.5	-34.5	0	0	0	114.5	Y247 P284 V285	Y247-P395 HydrophobicContact CD1-CB 3.95Å; Y247-P395 HydrophobicContact CD1-CG 4.13Å; Y247-P395 HydrophobicContact CD2-CG 4.48Å; Y247-P395 HydrophobicContact CE1-CB 4.13Å; Y247-P395 HydrophobicContact CG-CB 4.35Å; Y247-P395 HydrophobicContact CG-CG 4.04Å; P284-P395 HydrophobicContact CG-CB 4.41Å; P284-P395 WeakPolarHBondContact CG-O 3.31Å; V285-P395 HydrophobicContact CG2-CB 3.55Å; V285-P395 HydrophobicContact CG2-CG 3.83Å
396	F	88.5	Confident	79.1	Confident	22 Å²	22	77.6 Å²	77.6	10%	0.096	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	11.2	179.1	44.1	-107.5	0	0	0	112.4	Y276 V278 V394 Y412	Y276-F396 AromaticContact CD1-CD2 3.64Å; Y276-F396 HydrophobicContact CD1-CD2 3.64Å; Y276-F396 AromaticContact CD1-CE2 3.84Å; Y276-F396 HydrophobicContact CD1-CE2 3.84Å; Y276-F396 HydrophobicContact CD2-CD2 4.08Å; Y276-F396 AromaticContact CD2-CE2 3.54Å; Y276-F396 HydrophobicContact CD2-CE2 3.54Å; Y276-F396 HydrophobicContact CE1-CD2 4.21Å; Y276-F396 HydrophobicContact CE2-CE2 4.33Å; Y276-F396 AromaticContact CG-CD2 3.57Å; Y276-F396 HydrophobicContact CG-CD2 3.57Å; Y276-F396 AromaticContact CG-CE2 3.24Å; Y276-F396 HydrophobicContact CG-CE2 3.24Å; Y276-F396 HydrophobicContact CG-CZ 4.4Å; V278-F396 HydrophobicContact CB-CD1 4.38Å; V278-F396 HydrophobicContact CB-CG 4.43Å; V278-F396 HydrophobicContact CG2-CB 4.07Å; V278-F396 HydrophobicContact CG2-CD1 4.06Å; V278-F396 HydrophobicContact CG2-CD2 3.72Å; V278-F396 HydrophobicContact CG2-CE1 4.47Å; V278-F396 HydrophobicContact CG2-CE2 4.18Å; V278-F396 HydrophobicContact CG2-CG 3.65Å; V394-F396 HydrophobicContact CG1-CD2 3.48Å; V394-F396 VanDerWaalsContact CG1-CD2 3.48Å; V394-F396 HydrophobicContact CG1-CE1 4.21Å; V394-F396 HydrophobicContact CG1-CE2 3.02Å; V394-F396 HydrophobicContact CG1-CG 4.22Å; V394-F396 HydrophobicContact CG1-CZ 3.48Å; V394-F396 VanDerWaalsContact CG1-CZ 3.48Å; V394-F396 PolarHBondContact O-N 3.46Å; V394-F396 VanDerWaalsContact O-N 3.11Å; F396-Y412 HydrophobicContact CE1-CE1 4.4Å; F396-Y412 HydrophobicContact CE1-CE2 4.35Å; F396-Y412 HydrophobicContact CE2-CE2 4.32Å; F396-Y412 HydrophobicContact CZ-CD1 4.47Å; F396-Y412 HydrophobicContact CZ-CD2 4.17Å; F396-Y412 AromaticContact CZ-CE1 3.9Å; F396-Y412 HydrophobicContact CZ-CE1 3.9Å; F396-Y412 AromaticContact CZ-CE2 3.56Å; F396-Y412 HydrophobicContact CZ-CE2 3.56Å; F396-Y412 AromaticContact CZ-CZ 3.42Å; F396-Y412 VanDerWaalsContact CZ-CZ 3.42Å
397	A	81.8	Confident	78.8	Confident	28 Å²	28	76.1 Å²	76.1	23%	0.231	40%	0.397	C	S	.	.			trans	-78	129.2	171.2	0	0	0	0	0	109.3	Y276 V394 E399	Y276-A397 HydrophobicContact CE2-CB 4.41Å; Y276-A397 WeakPolarHBondContact OH-CB 3.46Å; V394-A397 HydrophobicContact CB-CB 4.01Å; V394-A397 HydrophobicContact CG1-CB 4.3Å; V394-A397 WeakPolarHBondContact O-CB 3.35Å; V394-A397 PolarHBondContact O-N 3.31Å; V394-A397 VanDerWaalsContact O-N 3.1Å; A397-E399 PolarHBondContact O-N 3Å
398	E	74.4	Confident	78.6	Confident	75 Å²	75	73.1 Å²	73.1	35%	0.35	39%	0.387	S	S	.	.			trans	-66.2	127.4	168	-64.8	179.6	160.9	0	0	109.1	D400 G401 C605	E398-D400 PolarHBondContact O-N 2.93Å; E398-G401 PolarHBondContact O-N 3.41Å; E398-C605 HydrophobicContact CG-CB 4.16Å; E398-C605 VanDerWaalsContact OE1-CB 3.27Å; E398-C605 WeakPolarHBondContact OE1-CB 3.46Å; E398-C605 PolarHBondContact OE1-SG 2.6Å
399	E	65.4	Low	78.6	Confident	180 Å²	180	66.3 Å²	66.3	84%	0.841	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.9	-178.2	-67.2	-175.6	168	0	0	111.9	A397	A397-E399 PolarHBondContact O-N 3Å
400	D	62.9	Low	78.6	Confident	164 Å²	164	66.4 Å²	66.4	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	10.2	-178.1	-65.2	-42.8	0	0	0	114.1	E398	E398-D400 PolarHBondContact O-N 2.93Å
401	G	61.1	Low	78.8	Confident	4 Å²	4	60.6 Å²	60.6	4%	0.041	33%	0.333	C	S	.	.	S	Bend	trans	-70.9	149.2	-178.2	0	0	0	0	0	112.6	E398 S403 S404	E398-G401 PolarHBondContact O-N 3.41Å; G401-S403 PolarHBondContact O-N 2.9Å; G401-S404 VanDerWaalsContact O-CB 3.29Å; G401-S404 WeakPolarHBondContact O-CB 3.35Å; G401-S404 PolarHBondContact O-N 3.43Å; G401-S404 PolarHBondContact O-OG 2.98Å
402	P	53.5	Low	79	Confident	116 Å²	116	58.2 Å²	58.2	75%	0.753	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.5	177.3	24.9	-33.9	0	0	0	113.2
403	S	57.9	Low	79.4	Confident	23 Å²	23	56.8 Å²	56.8	16%	0.161	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.7	175.7	53	0	0	0	0	114.1	Y276 G401 T405 R406 V407	Y276-S403 PolarHBondContact OH-OG 3.34Å; G401-S403 PolarHBondContact O-N 2.9Å; S403-T405 PolarHBondContact O-N 3.38Å; S403-R406 CarbonylContact O-C 3.49Å; S403-R406 PolarHBondContact O-N 3.48Å; S403-V407 VanDerWaalsContact O-CG2 3.31Å; S403-V407 WeakPolarHBondContact O-CG2 3.05Å; S403-V407 PolarHBondContact O-N 2.87Å
404	S	59.7	Low	79.8	Confident	49 Å²	49	50.9 Å²	50.9	34%	0.343	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-59.9	-34.9	-173.3	71.3	0	0	0	0	112.4	G401	G401-S404 VanDerWaalsContact O-CB 3.29Å; G401-S404 WeakPolarHBondContact O-CB 3.35Å; G401-S404 PolarHBondContact O-N 3.43Å; G401-S404 PolarHBondContact O-OG 2.98Å
405	T	66.2	Low	80.2	Confident	127 Å²	127	51.3 Å²	51.3	78%	0.779	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-79.4	-21.4	-179.7	-51.9	0	0	0	0	113	S403	S403-T405 PolarHBondContact O-N 3.38Å
406	R	79.9	Confident	80.6	Confident	148 Å²	148	51.8 Å²	51.8	56%	0.558	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-125.1	38.7	-171.7	-64.8	-173.4	179.5	176.8	1.7	112.8	R273 G274 S403	R273-R406 CarbonylContact C-O 3.53Å; R273-R406 WeakPolarHBondContact CA-O 3.45Å; R273-R406 WeakPolarHBondContact CB-O 3.33Å; G274-R406 PolarHBondContact N-O 3.45Å; S403-R406 CarbonylContact O-C 3.49Å; S403-R406 PolarHBondContact O-N 3.48Å
407	V	86.1	Confident	81	Confident	34 Å²	34	51.4 Å²	51.4	21%	0.206	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-65	136.4	177.6	-179.3	0	0	0	0	110.9	Y276 V394 S403	Y276-V407 HydrophobicContact CD2-CG1 4.49Å; Y276-V407 HydrophobicContact CE2-CG1 3.91Å; Y276-V407 HydrophobicContact CE2-CG2 4.11Å; V394-V407 HydrophobicContact CG2-CG1 3.94Å; S403-V407 VanDerWaalsContact O-CG2 3.31Å; S403-V407 WeakPolarHBondContact O-CG2 3.05Å; S403-V407 PolarHBondContact O-N 2.87Å
408	A	91.1	Very high	81.6	Confident	6 Å²	6	54.6 Å²	54.6	5%	0.05	29%	0.286	C	S	.	.			trans	-61	148.2	173	0	0	0	0	0	111.5	R273 G274 F275 V410	R273-A408 HydrophobicContact CB-CB 4.15Å; G274-A408 VanDerWaalsContact O-CB 3.31Å; G274-A408 WeakPolarHBondContact O-CB 3.5Å; G274-A408 PolarHBondContact O-N 3.39Å; F275-A408 HydrophobicContact CD1-CB 3.75Å; F275-A408 HydrophobicContact CD2-CB 4.48Å; F275-A408 HydrophobicContact CE1-CB 3.62Å; F275-A408 HydrophobicContact CE2-CB 4.36Å; F275-A408 HydrophobicContact CG-CB 4.19Å; F275-A408 HydrophobicContact CZ-CB 3.95Å; A408-V410 HydrophobicContact CB-CG2 4.19Å; A408-V410 PolarHBondContact O-N 3.15Å
409	S	92.7	Very high	82.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	27%	0.271	C	S	.	.	S	Bend	trans	-66.3	100.9	170.4	168.3	0	0	0	0	108.6	E251 Q377 L380 D432	E251-S409 PolarHBondContact N-OG 3.1Å; Q377-S409 PolarHBondContact NE2-O 2.78Å; L380-S409 WeakPolarHBondContact CD1-OG 3.24Å; S409-D432 PolarHBondContact OG-O 3.42Å; S409-D432 VanDerWaalsContact OG-O 3.1Å
410	V	94.2	Very high	83.6	Confident	11 Å²	11	44.1 Å²	44.1	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.9	175.5	-174	0	0	0	0	108.6	S249 A408 Y412 E430 H431	S249-V410 PolarHBondContact O-N 2.85Å; A408-V410 HydrophobicContact CB-CG2 4.19Å; A408-V410 PolarHBondContact O-N 3.15Å; V410-Y412 HydrophobicContact CB-CE2 4.14Å; V410-Y412 HydrophobicContact CG1-CD1 4.45Å; V410-Y412 HydrophobicContact CG1-CD2 4.49Å; V410-Y412 HydrophobicContact CG1-CE1 3.82Å; V410-Y412 HydrophobicContact CG1-CE2 3.85Å; V410-Y412 VanDerWaalsContact CG1-CZ 3.44Å; V410-E430 HydrophobicContact CG1-CB 4.31Å; V410-E430 HydrophobicContact CG1-CG 4.47Å; V410-H431 WeakPolarHBondContact CA-O 3.44Å
411	G	95.1	Very high	84.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.7	174.6	0	0	0	0	0	110.8	Y247 L250 E430 H431	Y247-G411 WeakPolarHBondContact O-CA 3.28Å; L250-G411 VanDerWaalsContact CD2-N 3.27Å; G411-E430 CarbonylContact O-C 3.53Å; G411-E430 WeakPolarHBondContact O-CA 3.36Å; G411-H431 PolarHBondContact N-O 2.77Å; G411-H431 PolarHBondContact O-N 3.49Å
412	Y	96.7	Very high	86.3	Confident	5 Å²	5	49.1 Å²	49.1	2%	0.02	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.3	-179.5	-58.9	-81.4	0	0	0	110.3	Q246 Y247 V394 F396 V410 R428 C429 E430	Q246-Y412 WeakPolarHBondContact CA-O 3.36Å; Y247-Y412 PolarHBondContact N-O 3.05Å; Y247-Y412 PolarHBondContact O-N 2.91Å; V394-Y412 HydrophobicContact CG1-CE2 4.01Å; V394-Y412 HydrophobicContact CG2-CE2 4.33Å; F396-Y412 HydrophobicContact CE1-CE1 4.4Å; F396-Y412 HydrophobicContact CE1-CE2 4.35Å; F396-Y412 HydrophobicContact CE2-CE2 4.32Å; F396-Y412 HydrophobicContact CZ-CD1 4.47Å; F396-Y412 HydrophobicContact CZ-CD2 4.17Å; F396-Y412 AromaticContact CZ-CE1 3.9Å; F396-Y412 HydrophobicContact CZ-CE1 3.9Å; F396-Y412 AromaticContact CZ-CE2 3.56Å; F396-Y412 HydrophobicContact CZ-CE2 3.56Å; F396-Y412 AromaticContact CZ-CZ 3.42Å; F396-Y412 VanDerWaalsContact CZ-CZ 3.42Å; V410-Y412 HydrophobicContact CB-CE2 4.14Å; V410-Y412 HydrophobicContact CG1-CD1 4.45Å; V410-Y412 HydrophobicContact CG1-CD2 4.49Å; V410-Y412 HydrophobicContact CG1-CE1 3.82Å; V410-Y412 HydrophobicContact CG1-CE2 3.85Å; V410-Y412 VanDerWaalsContact CG1-CZ 3.44Å; Y412-R428 HydrophobicContact CD1-CG 4.15Å; Y412-C429 WeakPolarHBondContact CA-O 3.3Å; Y412-E430 HydrophobicContact CD1-CG 3.84Å; Y412-E430 HydrophobicContact CE1-CG 3.74Å
413	R	96.2	Very high	88.3	Confident	23 Å²	23	43.9 Å²	43.9	9%	0.087	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.7	172.6	-63.1	-167.8	-175.6	-179.4	14.2	110	D241 Q246 F389 R415 C429 H431 F444	D241-R413 IonicContact OD2-NH1 2.66Å; Q246-R413 HydrophobicContact CG-CG 4.37Å; F389-R413 HydrophobicContact CE1-CG 4.39Å; R413-R415 HydrophobicContact CB-CG 4.31Å; R413-C429 PolarHBondContact N-O 2.98Å; R413-C429 PolarHBondContact O-N 2.92Å; R413-H431 WeakPolarHBondContact CD-NE2 3.24Å; R413-H431 PolarHBondContact NE-CD2 3.16Å; R413-H431 PolarHBondContact NE-NE2 2.66Å; R413-F444 VanDerWaalsContact NH2-CD1 3.27Å; R413-F444 VanDerWaalsContact NH2-CG 3.29Å
414	Y	97.2	Very high	90.1	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.7	170.9	-62.8	-94.6	0	0	0	107.4	V242 E245 Y247 D283 V285 I286 L289 R428	V242-Y414 WeakPolarHBondContact CB-O 3.47Å; V242-Y414 WeakPolarHBondContact CG2-O 3.24Å; V242-Y414 PolarHBondContact N-O 3.31Å; E245-Y414 HydrophobicContact CB-CD2 3.97Å; E245-Y414 HydrophobicContact CB-CG 4.25Å; E245-Y414 WeakPolarHBondContact O-CD2 3.26Å; E245-Y414 PolarHBondContact O-N 2.92Å; Y247-Y414 HydrophobicContact CD2-CD2 4.11Å; Y247-Y414 AromaticContact CD2-CE2 3.71Å; Y247-Y414 HydrophobicContact CD2-CE2 3.71Å; Y247-Y414 HydrophobicContact CE2-CD2 4.21Å; Y247-Y414 AromaticContact CE2-CE2 3.96Å; Y247-Y414 HydrophobicContact CE2-CE2 3.96Å; D283-Y414 VanDerWaalsContact CG-OH 3.25Å; D283-Y414 PolarHBondContact OD1-OH 3.04Å; D283-Y414 PolarHBondContact OD2-OH 2.92Å; V285-Y414 HydrophobicContact CB-CD1 4.48Å; V285-Y414 HydrophobicContact CB-CD2 4.47Å; V285-Y414 HydrophobicContact CB-CE1 3.82Å; V285-Y414 HydrophobicContact CB-CE2 3.81Å; V285-Y414 VanDerWaalsContact CB-CZ 3.43Å; V285-Y414 WeakPolarHBondContact CB-OH 3.41Å; V285-Y414 HydrophobicContact CG1-CD1 4.01Å; V285-Y414 HydrophobicContact CG1-CD2 3.77Å; V285-Y414 HydrophobicContact CG1-CE1 3.84Å; V285-Y414 HydrophobicContact CG1-CE2 3.6Å; V285-Y414 HydrophobicContact CG1-CG 3.98Å; V285-Y414 HydrophobicContact CG2-CE2 3.94Å; I286-Y414 HydrophobicContact CD1-CE1 4.28Å; I286-Y414 HydrophobicContact CG1-CD1 4.18Å; I286-Y414 HydrophobicContact CG1-CE1 3.66Å; L289-Y414 HydrophobicContact CD1-CD1 4.23Å; L289-Y414 HydrophobicContact CD1-CG 4.38Å; Y414-R428 HydrophobicContact CD1-CB 4.1Å; Y414-R428 HydrophobicContact CD1-CG 4.36Å; Y414-R428 HydrophobicContact CE1-CB 3.76Å; Y414-R428 HydrophobicContact CE1-CG 3.76Å; Y414-R428 HydrophobicContact CE2-CG 4.49Å; Y414-R428 WeakPolarHBondContact OH-CD 3.47Å
415	R	96.9	Very high	91.8	Very high	27 Å²	27	42.4 Å²	42.4	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.8	-178.2	-66.2	-175.8	72.1	149.8	-0.7	109.4	G239 V240 D241 R413 W417 V426 V427 L495 A496 G497	G239-R415 PolarHBondContact O-NE 2.82Å; G239-R415 PolarHBondContact O-NH2 3.08Å; V240-R415 WeakPolarHBondContact O-CA 3.07Å; D241-R415 WeakPolarHBondContact OD1-CD 3.25Å; D241-R415 VanDerWaalsContact OD1-CG 3.26Å; D241-R415 WeakPolarHBondContact OD1-CG 3.46Å; D241-R415 IonicContact OD1-CZ 3.31Å; D241-R415 IonicContact OD1-NE 3.1Å; D241-R415 PolarHBondContact OD1-NE 3.33Å; R413-R415 HydrophobicContact CB-CG 4.31Å; R415-W417 HydrophobicContact CB-CE3 4.31Å; R415-W417 HydrophobicContact CB-CH2 3.39Å; R415-W417 HydrophobicContact CB-CZ2 4.3Å; R415-W417 HydrophobicContact CB-CZ3 3.39Å; R415-W417 HydrophobicContact CG-CH2 4.36Å; R415-W417 VanDerWaalsContact O-CZ3 3.3Å; R415-W417 WeakPolarHBondContact O-CZ3 3.35Å; R415-V426 WeakPolarHBondContact O-CA 3.41Å; R415-V427 PolarHBondContact N-O 2.79Å; R415-V427 PolarHBondContact O-N 2.63Å; R415-L495 WeakPolarHBondContact CD-O 3.31Å; R415-A496 PolarHBondContact NH1-O 2.7Å; R415-G497 VanDerWaalsContact NH1-CA 3.34Å
416	H	95.1	Very high	93.3	Very high	44 Å²	44	36.4 Å²	36.4	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.7	177.4	79.3	-75.4	0	0	0	112.9	G239 V240 V242 Y295 L425 V426	G239-H416 WeakPolarHBondContact CA-O 3.4Å; V240-H416 VanDerWaalsContact CB-CE1 3.43Å; V240-H416 WeakPolarHBondContact CB-CE1 3.42Å; V240-H416 PolarHBondContact N-O 2.85Å; V240-H416 PolarHBondContact O-N 3.34Å; V240-H416 PolarHBondContact O-ND1 3.09Å; V242-H416 HydrophobicContact CG2-CB 4.22Å; Y295-H416 HydrophobicContact CD1-CB 4.31Å; Y295-H416 HydrophobicContact CE1-CB 3.8Å; Y295-H416 AromaticContact CE1-CD2 4Å; Y295-H416 AromaticContact CE1-CG 3.88Å; H416-L425 CarbonylContact C-O 3.57Å; H416-L425 WeakPolarHBondContact CA-O 3.43Å; H416-V426 HydrophobicContact CB-CG2 4.1Å
417	W	96.3	Very high	94.2	Very high	14 Å²	14	29.3 Å²	29.3	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.4	177	-70.7	-99	0	0	0	110.3	M236 G239 R415 L419 L425 V427 L495 W542	M236-W417 HydrophobicContact CE-CB 4.15Å; M236-W417 HydrophobicContact CE-CG 4.4Å; G239-W417 VanDerWaalsContact CA-CZ2 3.49Å; R415-W417 HydrophobicContact CB-CE3 4.31Å; R415-W417 HydrophobicContact CB-CH2 3.39Å; R415-W417 HydrophobicContact CB-CZ2 4.3Å; R415-W417 HydrophobicContact CB-CZ3 3.39Å; R415-W417 HydrophobicContact CG-CH2 4.36Å; R415-W417 VanDerWaalsContact O-CZ3 3.3Å; R415-W417 WeakPolarHBondContact O-CZ3 3.35Å; W417-L419 HydrophobicContact CB-CD2 4.09Å; W417-L425 PolarHBondContact N-O 3.2Å; W417-L425 PolarHBondContact O-N 3.04Å; W417-V427 HydrophobicContact CE3-CG2 4.1Å; W417-V427 HydrophobicContact CZ3-CB 3.79Å; W417-V427 HydrophobicContact CZ3-CG2 3.76Å; W417-L495 HydrophobicContact CH2-CB 4.38Å; W417-L495 HydrophobicContact CH2-CD2 4.22Å; W417-L495 WeakPolarHBondContact CH2-O 3.47Å; W417-L495 HydrophobicContact CZ2-CD2 4.01Å; W417-L495 WeakPolarHBondContact CZ2-O 3.42Å; W417-W542 HydrophobicContact CB-CH2 4.25Å; W417-W542 AromaticContact CD1-CH2 3.76Å; W417-W542 AromaticContact CD1-CZ2 3.75Å; W417-W542 AromaticContact CD2-CH2 3.93Å; W417-W542 HydrophobicContact CD2-CH2 3.93Å; W417-W542 HydrophobicContact CD2-CZ2 4.42Å; W417-W542 AromaticContact CG-CH2 3.73Å; W417-W542 HydrophobicContact CG-CH2 3.73Å; W417-W542 HydrophobicContact CG-CZ2 4.19Å; W417-W542 AromaticContact NE1-CH2 3.92Å; W417-W542 AromaticContact NE1-CZ2 3.66Å
418	N	94.6	Very high	94.7	Very high	94 Å²	94	27.9 Å²	27.9	50%	0.503	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115	168.8	-175	-35.6	0	0	0	109.4	G420 E424	N418-G420 WeakPolarHBondContact OD1-CA 3.36Å; N418-G420 PolarHBondContact OD1-N 3.12Å; N418-E424 WeakPolarHBondContact CA-OE2 3.4Å; N418-E424 WeakPolarHBondContact CB-OE2 3.37Å; N418-E424 PolarHBondContact ND2-OE1 3.31Å
419	L	93	Very high	95	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	15%	0.147	C	C	.	.			trans	-95.4	12.1	-179.4	-51.4	-171.3	0	0	0	113.1	M236 W417 I423 L425 W542 R546 I549	M236-L419 HydrophobicContact CE-CD2 3.15Å; M236-L419 HydrophobicContact SD-CD2 3.87Å; W417-L419 HydrophobicContact CB-CD2 4.09Å; L419-I423 HydrophobicContact CB-CB 4.19Å; L419-I423 HydrophobicContact CB-CG2 3.92Å; L419-I423 HydrophobicContact CD1-CG2 3.86Å; L419-I423 HydrophobicContact CG-CG2 4.06Å; L419-I423 PolarHBondContact N-O 2.75Å; L419-L425 HydrophobicContact CD1-CB 4.15Å; L419-L425 HydrophobicContact CD1-CD2 4.33Å; L419-L425 HydrophobicContact CG-CB 4.29Å; L419-W542 HydrophobicContact CD2-CE3 3.77Å; L419-W542 HydrophobicContact CD2-CH2 4.44Å; L419-W542 HydrophobicContact CD2-CZ3 3.61Å; L419-R546 PolarHBondContact O-NH1 2.56Å; L419-I549 HydrophobicContact CD1-CD1 3.8Å
420	G	90.2	Very high	95.2	Very high	29 Å²	29	29.4 Å²	29.4	30%	0.299	16%	0.155	S	C	.	.	S	Bend	trans	71.7	174.3	-171.3	0	0	0	0	0	113.3	N418 N422 I423 R546	N418-G420 WeakPolarHBondContact OD1-CA 3.36Å; N418-G420 PolarHBondContact OD1-N 3.12Å; G420-N422 VanDerWaalsContact C-N 3.25Å; G420-N422 PolarHBondContact O-N 3.04Å; G420-I423 WeakPolarHBondContact O-CB 3.21Å; G420-I423 PolarHBondContact O-N 3.23Å; G420-R546 PolarHBondContact O-NH1 3.07Å
421	N	89.2	Confident	95.3	Very high	128 Å²	128	28.9 Å²	28.9	68%	0.684	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	39.5	-179.9	-59.7	-16	0	0	0	114.4	I423 R546	N421-I423 VanDerWaalsContact C-N 3.25Å; N421-I423 PolarHBondContact O-N 2.91Å; N421-R546 PolarHBondContact ND2-NH1 3.31Å; N421-R546 PolarHBondContact ND2-NH2 2.85Å
422	N	90.9	Very high	95.4	Very high	145 Å²	145	29.3 Å²	29.3	78%	0.775	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	28.7	-177.4	-54	-27.3	0	0	0	114.1	N296 G420	N296-N422 PolarHBondContact ND2-O 2.82Å; G420-N422 VanDerWaalsContact C-N 3.25Å; G420-N422 PolarHBondContact O-N 3.04Å
423	I	94.8	Very high	95.4	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.036	15%	0.153	C	C	.	.			trans	-102.4	115.2	173.6	-68.5	160.2	0	0	0	109.1	V297 L419 G420 N421 I549 D550 F553	V297-I423 HydrophobicContact CG2-CG2 3.94Å; L419-I423 HydrophobicContact CB-CB 4.19Å; L419-I423 HydrophobicContact CB-CG2 3.92Å; L419-I423 HydrophobicContact CD1-CG2 3.86Å; L419-I423 HydrophobicContact CG-CG2 4.06Å; L419-I423 PolarHBondContact N-O 2.75Å; G420-I423 WeakPolarHBondContact O-CB 3.21Å; G420-I423 PolarHBondContact O-N 3.23Å; N421-I423 VanDerWaalsContact C-N 3.25Å; N421-I423 PolarHBondContact O-N 2.91Å; I423-I549 HydrophobicContact CD1-CG2 3.9Å; I423-I549 HydrophobicContact CG1-CG2 4.42Å; I423-I549 HydrophobicContact CG2-CG2 4.1Å; I423-D550 WeakPolarHBondContact CD1-OD1 3.38Å; I423-F553 HydrophobicContact CD1-CD2 4.31Å; I423-F553 HydrophobicContact CD1-CE2 4.26Å; I423-F553 HydrophobicContact CG1-CD2 4.46Å; I423-F553 HydrophobicContact CG1-CE2 3.97Å
424	E	95.3	Very high	95.4	Very high	41 Å²	41	28 Å²	28	19%	0.192	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	101	-179.3	-66.1	-67.4	173.1	0	0	107.6	D294 Y295 N296 V297 N418	D294-E424 WeakPolarHBondContact O-CB 3.36Å; D294-E424 WeakPolarHBondContact O-CG 3.32Å; Y295-E424 HydrophobicContact CD1-CB 4.2Å; N296-E424 PolarHBondContact N-O 3.1Å; N296-E424 VanDerWaalsContact N-O 3.14Å; N296-E424 PolarHBondContact OD1-N 2.85Å; N296-E424 PolarHBondContact OD1-O 3.13Å; V297-E424 PolarHBondContact N-O 2.79Å; V297-E424 VanDerWaalsContact N-O 3.15Å; N418-E424 WeakPolarHBondContact CA-OE2 3.4Å; N418-E424 WeakPolarHBondContact CB-OE2 3.37Å; N418-E424 PolarHBondContact ND2-OE1 3.31Å
425	L	96.8	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128	-177.5	171.8	69.6	0	0	0	110	V297 I304 H416 W417 L419 V427 W542 L545	V297-L425 HydrophobicContact CB-CB 4.48Å; V297-L425 HydrophobicContact CB-CD1 3.9Å; V297-L425 HydrophobicContact CG1-CD1 3.53Å; V297-L425 CarbonylContact O-C 3.56Å; V297-L425 WeakPolarHBondContact O-CA 3.37Å; I304-L425 HydrophobicContact CD1-CD1 4.26Å; H416-L425 CarbonylContact C-O 3.57Å; H416-L425 WeakPolarHBondContact CA-O 3.43Å; W417-L425 PolarHBondContact N-O 3.2Å; W417-L425 PolarHBondContact O-N 3.04Å; L419-L425 HydrophobicContact CD1-CB 4.15Å; L419-L425 HydrophobicContact CD1-CD2 4.33Å; L419-L425 HydrophobicContact CG-CB 4.29Å; L425-V427 HydrophobicContact CD1-CG2 4.07Å; L425-V427 HydrophobicContact CD2-CG2 3.77Å; L425-V427 HydrophobicContact CG-CG2 3.73Å; L425-W542 HydrophobicContact CD2-CH2 4.17Å; L425-W542 HydrophobicContact CD2-CZ3 3.75Å; L425-L545 HydrophobicContact CD2-CD2 3.81Å
426	V	97.3	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.4	168.5	175.6	0	0	0	0	109.2	L289 Y295 V297 F298 G299 R415 H416	L289-V426 HydrophobicContact CD1-CG1 4.09Å; Y295-V426 HydrophobicContact CD1-CG2 3.41Å; Y295-V426 VanDerWaalsContact CD1-CG2 3.41Å; Y295-V426 HydrophobicContact CD2-CG2 3.84Å; Y295-V426 HydrophobicContact CE1-CG2 3.99Å; Y295-V426 HydrophobicContact CE2-CG2 4.36Å; Y295-V426 HydrophobicContact CG-CG2 3.33Å; V297-V426 PolarHBondContact O-N 3.16Å; F298-V426 WeakPolarHBondContact CA-O 3.31Å; F298-V426 HydrophobicContact CD1-CB 3.85Å; F298-V426 HydrophobicContact CD1-CG1 4.32Å; F298-V426 HydrophobicContact CD1-CG2 4.38Å; F298-V426 HydrophobicContact CE1-CB 4.17Å; F298-V426 HydrophobicContact CE1-CG2 4.19Å; G299-V426 PolarHBondContact N-O 3.09Å; G299-V426 VanDerWaalsContact N-O 3.15Å; R415-V426 WeakPolarHBondContact O-CA 3.41Å; H416-V426 HydrophobicContact CB-CG2 4.1Å
427	V	97.7	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.2	176.3	-168.9	0	0	0	0	109.7	G299 D301 I304 R415 W417 L425 C429	G299-V427 VanDerWaalsContact O-CA 3.31Å; G299-V427 WeakPolarHBondContact O-CA 3.21Å; D301-V427 HydrophobicContact CB-CG1 4.17Å; I304-V427 HydrophobicContact CB-CG1 4.46Å; I304-V427 HydrophobicContact CG1-CG1 4.09Å; I304-V427 HydrophobicContact CG1-CG2 4.06Å; R415-V427 PolarHBondContact N-O 2.79Å; R415-V427 PolarHBondContact O-N 2.63Å; W417-V427 HydrophobicContact CE3-CG2 4.1Å; W417-V427 HydrophobicContact CZ3-CB 3.79Å; W417-V427 HydrophobicContact CZ3-CG2 3.76Å; L425-V427 HydrophobicContact CD1-CG2 4.07Å; L425-V427 HydrophobicContact CD2-CG2 3.77Å; L425-V427 HydrophobicContact CG-CG2 3.73Å; V427-C429 PolarHBondContact O-N 3.18Å
428	R	97.6	Very high	94.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.6	164	-174.8	-178.3	83.1	-152	-0	108.9	V278 D283 I286 G299 D301 Y412 Y414	V278-R428 PolarHBondContact O-NH1 3.25Å; V278-R428 PolarHBondContact O-NH2 3.15Å; D283-R428 WeakPolarHBondContact OD2-CD 3.35Å; D283-R428 IonicContact OD2-CZ 3.6Å; D283-R428 IonicContact OD2-NE 3.7Å; D283-R428 IonicContact OD2-NH1 3.43Å; D283-R428 PolarHBondContact OD2-NH1 3.29Å; I286-R428 HydrophobicContact CD1-CB 4.45Å; G299-R428 PolarHBondContact O-N 2.96Å; D301-R428 WeakPolarHBondContact CB-O 3.47Å; D301-R428 PolarHBondContact N-O 3.1Å; Y412-R428 HydrophobicContact CD1-CG 4.15Å; Y414-R428 HydrophobicContact CD1-CB 4.1Å; Y414-R428 HydrophobicContact CD1-CG 4.36Å; Y414-R428 HydrophobicContact CE1-CB 3.76Å; Y414-R428 HydrophobicContact CE1-CG 3.76Å; Y414-R428 HydrophobicContact CE2-CG 4.49Å; Y414-R428 WeakPolarHBondContact OH-CD 3.47Å
429	C	97.4	Very high	94.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.7	180	-57.9	0	0	0	0	111.8	Y412 R413 V427 A496	Y412-C429 WeakPolarHBondContact CA-O 3.3Å; R413-C429 PolarHBondContact N-O 2.98Å; R413-C429 PolarHBondContact O-N 2.92Å; V427-C429 PolarHBondContact O-N 3.18Å; C429-A496 HydrophobicContact CB-CB 3.8Å
430	E	96.2	Very high	93.8	Very high	38 Å²	38	38.8 Å²	38.8	18%	0.178	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.8	-174.4	-58.8	179.8	178.9	0	0	112.9	D301 V410 G411 Y412 A496	D301-E430 PolarHBondContact OD2-N 3.31Å; V410-E430 HydrophobicContact CG1-CB 4.31Å; V410-E430 HydrophobicContact CG1-CG 4.47Å; G411-E430 CarbonylContact O-C 3.53Å; G411-E430 WeakPolarHBondContact O-CA 3.36Å; Y412-E430 HydrophobicContact CD1-CG 3.84Å; Y412-E430 HydrophobicContact CE1-CG 3.74Å; E430-A496 WeakPolarHBondContact O-CB 3.29Å
431	H	97.3	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.3	163.9	-61.6	-64.9	0	0	0	109.4	L250 V410 G411 R413 A496 S498	L250-H431 HydrophobicContact CD1-CB 4.09Å; L250-H431 HydrophobicContact CD2-CB 4.19Å; L250-H431 VanDerWaalsContact CD2-O 3.24Å; L250-H431 WeakPolarHBondContact CD2-O 3.46Å; V410-H431 WeakPolarHBondContact CA-O 3.44Å; G411-H431 PolarHBondContact N-O 2.77Å; G411-H431 PolarHBondContact O-N 3.49Å; R413-H431 WeakPolarHBondContact CD-NE2 3.24Å; R413-H431 PolarHBondContact NE-CD2 3.16Å; R413-H431 PolarHBondContact NE-NE2 2.66Å; H431-A496 PolarHBondContact CE1-O 3.24Å; H431-A496 PolarHBondContact NE2-O 2.83Å; H431-S498 PolarHBondContact CE1-OG 3.03Å; H431-S498 PolarHBondContact ND1-OG 2.99Å
432	D	96.5	Very high	94.1	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.053	23%	0.231	C	C	.	.			trans	-90.8	-27.3	-176.7	-62	-67.8	0	0	0	111.9	L380 S409 L445 T446 I447 K448	L380-D432 WeakPolarHBondContact CD1-O 3.49Å; S409-D432 PolarHBondContact OG-O 3.42Å; S409-D432 VanDerWaalsContact OG-O 3.1Å; D432-L445 PolarHBondContact N-O 2.8Å; D432-T446 WeakPolarHBondContact OD2-CA 3.45Å; D432-I447 HydrophobicContact CB-CB 3.91Å; D432-I447 HydrophobicContact CB-CD1 4.13Å; D432-I447 HydrophobicContact CB-CG1 4.02Å; D432-I447 PolarHBondContact OD2-N 2.58Å; D432-K448 IonicContact OD1-NZ 3.08Å; D432-K448 IonicContact OD2-NZ 3.31Å; D432-K448 PolarHBondContact OD2-NZ 2.98Å
433	G	96.2	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	176.5	-179.7	0	0	0	0	0	114.2	L445	G433-L445 PolarHBondContact N-O 2.95Å; G433-L445 WeakPolarHBondContact O-CB 3.41Å; G433-L445 PolarHBondContact O-N 3.31Å
434	A	96.5	Very high	94.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.4	178.4	0	0	0	0	0	111.7	L250 E251 Y252 Y253 T442 Q443	L250-A434 HydrophobicContact CB-CB 4.03Å; L250-A434 HydrophobicContact CD1-CB 4.29Å; E251-A434 PolarHBondContact O-N 3.24Å; Y252-A434 CarbonylContact C-O 3.58Å; Y252-A434 VanDerWaalsContact CA-O 3.28Å; Y252-A434 WeakPolarHBondContact CA-O 3.47Å; Y252-A434 HydrophobicContact CD1-CB 4.02Å; Y252-A434 HydrophobicContact CE1-CB 4.07Å; Y253-A434 PolarHBondContact N-O 3.18Å; A434-T442 HydrophobicContact CB-CG2 3.86Å; A434-Q443 CarbonylContact C-O 3.53Å; A434-Q443 WeakPolarHBondContact CA-O 3.2Å
435	M	94.5	Very high	94.6	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.069	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.3	171.6	-179.9	175.3	67.9	0	0	109.6	Y253 R255 G437 Q443 L445 Y500	Y253-M435 HydrophobicContact CD1-SD 4.43Å; R255-M435 HydrophobicContact CG-SD 4.46Å; M435-G437 PolarHBondContact O-N 3.29Å; M435-Q443 VanDerWaalsContact CE-OE1 3.29Å; M435-Q443 PolarHBondContact N-O 2.78Å; M435-Q443 PolarHBondContact O-N 2.98Å; M435-L445 HydrophobicContact CB-CD1 4.06Å; M435-L445 HydrophobicContact CB-CD2 4.39Å; M435-L445 HydrophobicContact CB-CG 4.39Å; M435-Y500 HydrophobicContact CE-CD2 4.01Å; M435-Y500 HydrophobicContact CE-CE2 4.02Å
436	L	92.5	Very high	94.6	Very high	83 Å²	83	33.8 Å²	33.8	44%	0.435	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.7	170.3	-63.9	172.9	0	0	0	108.9	Y252 R255	Y252-L436 HydrophobicContact CD1-CG 4.23Å; Y252-L436 HydrophobicContact CE1-CD2 3.84Å; Y252-L436 HydrophobicContact CE1-CG 3.81Å; R255-L436 PolarHBondContact NH2-O 2.8Å
437	G	87.9	Confident	94.7	Very high	11 Å²	11	33.9 Å²	33.9	11%	0.113	20%	0.198	C	C	.	.			trans	-70.1	176.9	173.5	0	0	0	0	0	112.5	M435 D439 G440 Q441	M435-G437 PolarHBondContact O-N 3.29Å; G437-D439 PolarHBondContact O-N 3.09Å; G437-G440 PolarHBondContact O-N 3.34Å; G437-Q441 PolarHBondContact N-O 2.96Å
438	S	88.8	Confident	94.7	Very high	115 Å²	115	35.2 Å²	35.2	80%	0.804	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.1	169.8	47.2	0	0	0	0	112.4	G440	S438-G440 VanDerWaalsContact C-N 3.27Å; S438-G440 PolarHBondContact O-N 2.87Å
439	D	88.7	Confident	94.7	Very high	135 Å²	135	35 Å²	35	72%	0.722	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	4	-171.5	-51.4	-10.6	0	0	0	111.8	G437 Q441	G437-D439 PolarHBondContact O-N 3.09Å; D439-Q441 PolarHBondContact O-N 3.03Å
440	G	88.4	Confident	94.6	Very high	55 Å²	55	35 Å²	35	57%	0.567	20%	0.203	S	C	*	.	S	Bend	trans	78.4	-6.2	-174.5	0	0	0	0	0	114.6	G437 S438	G437-G440 PolarHBondContact O-N 3.34Å; S438-G440 VanDerWaalsContact C-N 3.27Å; S438-G440 PolarHBondContact O-N 2.87Å
441	Q	92	Very high	94.5	Very high	139 Å²	139	33.4 Å²	33.4	65%	0.65	20%	0.196	S	C	*	.			trans	-71.8	142	174.8	-65	-174.3	-0.9	0	0	111.3	G437 D439	G437-Q441 PolarHBondContact N-O 2.96Å; D439-Q441 PolarHBondContact O-N 3.03Å
442	T	93.2	Very high	94.4	Very high	38 Å²	38	33.8 Å²	33.8	23%	0.233	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.8	175.7	-60.4	0	0	0	0	109.6	Y387 A434 F444	Y387-T442 HydrophobicContact CD2-CG2 3.86Å; Y387-T442 HydrophobicContact CE2-CG2 4.1Å; Y387-T442 HydrophobicContact CG-CG2 4.31Å; A434-T442 HydrophobicContact CB-CG2 3.86Å; T442-F444 HydrophobicContact CG2-CE1 4.27Å; T442-F444 HydrophobicContact CG2-CZ 4.23Å
443	Q	95.7	Very high	94.2	Very high	42 Å²	42	33.8 Å²	33.8	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136	176.7	-65.8	172.5	-28.1	0	0	109.3	A434 M435 D499 Y500	A434-Q443 CarbonylContact C-O 3.53Å; A434-Q443 WeakPolarHBondContact CA-O 3.2Å; M435-Q443 VanDerWaalsContact CE-OE1 3.29Å; M435-Q443 PolarHBondContact N-O 2.78Å; M435-Q443 PolarHBondContact O-N 2.98Å; Q443-D499 VanDerWaalsContact CA-OD2 3.23Å; Q443-D499 WeakPolarHBondContact CA-OD2 3.28Å; Q443-D499 HydrophobicContact CB-CB 4.02Å; Q443-D499 HydrophobicContact CG-CB 4.41Å; Q443-Y500 VanDerWaalsContact OE1-CE2 3.32Å
444	F	97.3	Very high	93.9	Very high	23 Å²	23	34 Å²	34	10%	0.101	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.9	-177.3	-59.3	-78.1	0	0	0	111.3	L250 Y387 F389 R413 T442 D499 Y500	L250-F444 HydrophobicContact CD1-CD1 3.64Å; L250-F444 HydrophobicContact CD1-CE1 3.93Å; Y387-F444 HydrophobicContact CD1-CE1 4.11Å; Y387-F444 AromaticContact CE1-CE1 3.75Å; Y387-F444 HydrophobicContact CE1-CE1 3.75Å; Y387-F444 HydrophobicContact CE1-CZ 4Å; Y387-F444 AromaticContact CZ-CZ 3.97Å; F389-F444 HydrophobicContact CE1-CE1 4.13Å; F389-F444 HydrophobicContact CZ-CD1 4.23Å; F389-F444 AromaticContact CZ-CE1 3.83Å; F389-F444 HydrophobicContact CZ-CE1 3.83Å; R413-F444 VanDerWaalsContact NH2-CD1 3.27Å; R413-F444 VanDerWaalsContact NH2-CG 3.29Å; T442-F444 HydrophobicContact CG2-CE1 4.27Å; T442-F444 HydrophobicContact CG2-CZ 4.23Å; F444-D499 PolarHBondContact N-OD2 2.93Å; F444-D499 PolarHBondContact O-N 2.97Å; F444-Y500 PolarHBondContact O-N 2.96Å
445	L	97.6	Very high	93.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.5	-173.3	-53.5	179.2	0	0	0	111.2	Y253 D432 G433 M435 I447 Y500 K502	Y253-L445 HydrophobicContact CD2-CD1 4.17Å; Y253-L445 HydrophobicContact CG-CD1 3.9Å; D432-L445 PolarHBondContact N-O 2.8Å; G433-L445 PolarHBondContact N-O 2.95Å; G433-L445 WeakPolarHBondContact O-CB 3.41Å; G433-L445 PolarHBondContact O-N 3.31Å; M435-L445 HydrophobicContact CB-CD1 4.06Å; M435-L445 HydrophobicContact CB-CD2 4.39Å; M435-L445 HydrophobicContact CB-CG 4.39Å; L445-I447 HydrophobicContact CB-CD1 4.42Å; L445-I447 HydrophobicContact CB-CG1 4.11Å; L445-Y500 WeakPolarHBondContact CA-O 3.31Å; L445-Y500 HydrophobicContact CD2-CD2 4.21Å; L445-Y500 HydrophobicContact CD2-CG 4.46Å; L445-K502 HydrophobicContact CD1-CD 4.33Å
446	T	98.1	Very high	92.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126	158.2	-59.6	0	0	0	0	107.7	D432 K448 A493 S498 Y500 L501 K502	D432-T446 WeakPolarHBondContact OD2-CA 3.45Å; T446-K448 HydrophobicContact CG2-CG 4.24Å; T446-A493 HydrophobicContact CG2-CB 4.21Å; T446-S498 WeakPolarHBondContact OG1-CB 3.47Å; T446-S498 PolarHBondContact OG1-OG 3.29Å; T446-Y500 PolarHBondContact N-O 3.25Å; T446-L501 HydrophobicContact CG2-CD1 3.73Å; T446-L501 WeakPolarHBondContact O-CA 3.43Å; T446-K502 PolarHBondContact O-N 2.89Å
447	I	98.1	Very high	92.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.3	-171.6	-57.3	170.3	0	0	0	108.8	Y253 F375 V379 L380 D432 L445 K502	Y253-I447 HydrophobicContact CD2-CD1 4.45Å; F375-I447 HydrophobicContact CD1-CG2 3.87Å; F375-I447 HydrophobicContact CE1-CG2 3.65Å; V379-I447 HydrophobicContact CG2-CD1 4.05Å; V379-I447 HydrophobicContact CG2-CG2 3.94Å; L380-I447 HydrophobicContact CD2-CD1 3.73Å; L380-I447 HydrophobicContact CG-CD1 4.47Å; D432-I447 HydrophobicContact CB-CB 3.91Å; D432-I447 HydrophobicContact CB-CD1 4.13Å; D432-I447 HydrophobicContact CB-CG1 4.02Å; D432-I447 PolarHBondContact OD2-N 2.58Å; L445-I447 HydrophobicContact CB-CD1 4.42Å; L445-I447 HydrophobicContact CB-CG1 4.11Å; I447-K502 WeakPolarHBondContact CA-O 3.46Å; I447-K502 HydrophobicContact CG1-CB 4.5Å
448	K	97.8	Very high	91.3	Very high	29 Å²	29	43.2 Å²	43.2	13%	0.126	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.7	179.4	-55	-64.4	175.4	-148.5	0	110.6	D432 T446 W489 L501 K502 F503 G504	D432-K448 IonicContact OD1-NZ 3.08Å; D432-K448 IonicContact OD2-NZ 3.31Å; D432-K448 PolarHBondContact OD2-NZ 2.98Å; T446-K448 HydrophobicContact CG2-CG 4.24Å; K448-W489 HydrophobicContact CB-CD2 3.77Å; K448-W489 HydrophobicContact CB-CE3 3.75Å; K448-W489 HydrophobicContact CB-CG 4.33Å; K448-W489 HydrophobicContact CB-CH2 4.12Å; K448-W489 HydrophobicContact CB-CZ2 4.14Å; K448-W489 HydrophobicContact CB-CZ3 3.93Å; K448-W489 HydrophobicContact CD-CD2 4.35Å; K448-W489 HydrophobicContact CD-CG 4.25Å; K448-W489 HydrophobicContact CG-CB 4.22Å; K448-W489 HydrophobicContact CG-CD2 3.79Å; K448-W489 HydrophobicContact CG-CE3 4.23Å; K448-W489 HydrophobicContact CG-CG 3.81Å; K448-L501 HydrophobicContact CG-CD1 4.49Å; K448-K502 PolarHBondContact N-O 3.39Å; K448-F503 HydrophobicContact CB-CD1 4.18Å; K448-F503 HydrophobicContact CB-CE1 4.27Å; K448-F503 CarbonylContact O-C 3.21Å; K448-F503 VanDerWaalsContact O-CA 3.25Å; K448-F503 WeakPolarHBondContact O-CA 3.23Å; K448-G504 PolarHBondContact O-N 2.9Å
449	A	97.5	Very high	90.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.7	-176.7	0	0	0	0	0	112.2	I371 N372 F375 W489 G504 V506	I371-A449 HydrophobicContact CG2-CB 3.95Å; N372-A449 PolarHBondContact ND2-O 3.37Å; N372-A449 PolarHBondContact OD1-N 3.12Å; F375-A449 HydrophobicContact CB-CB 3.92Å; F375-A449 HydrophobicContact CD1-CB 3.73Å; F375-A449 HydrophobicContact CE1-CB 4.49Å; F375-A449 HydrophobicContact CG-CB 3.88Å; A449-W489 VanDerWaalsContact O-CH2 3.3Å; A449-W489 WeakPolarHBondContact O-CH2 3.41Å; A449-G504 CarbonylContact C-O 3.49Å; A449-G504 WeakPolarHBondContact CA-O 3.39Å; A449-V506 HydrophobicContact CB-CG2 4.24Å
450	F	96.2	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	146.1	162.8	-61.8	-67.7	0	0	0	110.4	W463 L475 E478 L486 W489 F503 G504 Y505 V506	F450-W463 HydrophobicContact CB-CH2 3.6Å; F450-W463 HydrophobicContact CB-CZ3 4.19Å; F450-L475 HydrophobicContact CE2-CD1 4.23Å; F450-L475 HydrophobicContact CZ-CD1 4.05Å; F450-E478 HydrophobicContact CD1-CB 4.35Å; F450-E478 HydrophobicContact CD1-CG 4.32Å; F450-E478 HydrophobicContact CE1-CB 4.2Å; F450-L486 HydrophobicContact CE1-CD1 3.93Å; F450-L486 HydrophobicContact CE1-CD2 3.36Å; F450-L486 HydrophobicContact CE1-CG 3.84Å; F450-L486 HydrophobicContact CZ-CD1 4.33Å; F450-L486 HydrophobicContact CZ-CD2 3.38Å; F450-L486 HydrophobicContact CZ-CG 4.28Å; F450-W489 HydrophobicContact CD1-CZ3 4.19Å; F450-W489 HydrophobicContact CE1-CZ3 4.12Å; F450-F503 HydrophobicContact CD2-CB 3.99Å; F450-F503 HydrophobicContact CD2-CG 4.3Å; F450-F503 HydrophobicContact CE2-CB 3.66Å; F450-F503 AromaticContact CE2-CD1 3.95Å; F450-F503 HydrophobicContact CE2-CD1 3.95Å; F450-F503 AromaticContact CE2-CD2 3.89Å; F450-F503 HydrophobicContact CE2-CD2 3.89Å; F450-F503 AromaticContact CE2-CG 3.57Å; F450-F503 HydrophobicContact CE2-CG 3.57Å; F450-F503 HydrophobicContact CZ-CD1 4.16Å; F450-F503 HydrophobicContact CZ-CD2 4.25Å; F450-F503 HydrophobicContact CZ-CE1 4.35Å; F450-F503 HydrophobicContact CZ-CE2 4.43Å; F450-F503 HydrophobicContact CZ-CG 4.1Å; F450-F503 HydrophobicContact CZ-CZ 4.46Å; F450-G504 PolarHBondContact N-O 2.84Å; F450-Y505 HydrophobicContact CB-CD1 4.43Å; F450-Y505 HydrophobicContact CD2-CD1 4.08Å; F450-Y505 AromaticContact CD2-CE1 3.73Å; F450-Y505 HydrophobicContact CD2-CE1 3.73Å; F450-Y505 HydrophobicContact CD2-CE2 4.49Å; F450-Y505 AromaticContact CD2-CZ 3.96Å; F450-Y505 HydrophobicContact CE2-CE1 4.21Å; F450-V506 WeakPolarHBondContact O-CB 3.47Å; F450-V506 PolarHBondContact O-N 2.94Å
451	N	94.7	Very high	89.6	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.3	-179.4	64.3	-58.4	0	0	0	111.8	V343 I371 K485 V506	V343-N451 WeakPolarHBondContact CG2-ND2 3.46Å; I371-N451 HydrophobicContact CD1-CB 3.66Å; N451-K485 PolarHBondContact OD1-NZ 2.79Å; N451-V506 CarbonylContact C-O 3.57Å; N451-V506 VanDerWaalsContact CA-O 3.3Å; N451-V506 WeakPolarHBondContact CA-O 3.32Å
452	E	94.7	Very high	89.5	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.033	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.6	167.8	-174.6	-172.1	-134.2	0	0	108.9	W463 V506 S507 R508	E452-W463 HydrophobicContact CB-CD2 3.7Å; E452-W463 HydrophobicContact CB-CE3 3.67Å; E452-W463 HydrophobicContact CB-CG 4.31Å; E452-W463 HydrophobicContact CB-CH2 3.83Å; E452-W463 HydrophobicContact CB-CZ2 3.89Å; E452-W463 HydrophobicContact CB-CZ3 3.74Å; E452-W463 HydrophobicContact CG-CD2 4.18Å; E452-W463 HydrophobicContact CG-CG 4.32Å; E452-W463 VanDerWaalsContact OE1-CD1 3.31Å; E452-W463 PolarHBondContact OE1-N 2.76Å; E452-V506 PolarHBondContact N-O 3.2Å; E452-S507 VanDerWaalsContact OE2-CB 3.29Å; E452-S507 WeakPolarHBondContact OE2-CB 3.44Å; E452-S507 PolarHBondContact OE2-OG 3.17Å; E452-R508 PolarHBondContact O-N 2.58Å
453	W	92.7	Very high	89.5	Confident	11 Å²	11	32.4 Å²	32.4	4%	0.042	18%	0.181	C	C	.	.	S	Bend	trans	-93.8	-38.4	178.6	56.3	-83.5	0	0	0	111.9	V343 S344 P351 N359 L364 F457	V343-W453 VanDerWaalsContact CG1-CD1 3.43Å; V343-W453 HydrophobicContact CG1-CG 4.39Å; S344-W453 PolarHBondContact OG-NE1 3.48Å; P351-W453 HydrophobicContact CG-CH2 4.23Å; P351-W453 HydrophobicContact CG-CZ2 3.88Å; N359-W453 HydrophobicContact CB-CE3 4.31Å; N359-W453 HydrophobicContact CB-CZ3 4.09Å; L364-W453 HydrophobicContact CD1-CD2 4.16Å; L364-W453 HydrophobicContact CD1-CE3 4.37Å; L364-W453 HydrophobicContact CD2-CB 3.73Å; L364-W453 HydrophobicContact CD2-CD2 4.09Å; L364-W453 HydrophobicContact CD2-CE3 4.32Å; L364-W453 HydrophobicContact CD2-CG 3.85Å; W453-F457 HydrophobicContact CE3-CD2 4.43Å; W453-F457 HydrophobicContact CH2-CB 3.6Å; W453-F457 AromaticContact CH2-CD1 3.79Å; W453-F457 HydrophobicContact CH2-CD1 3.79Å; W453-F457 AromaticContact CH2-CD2 3.21Å; W453-F457 HydrophobicContact CH2-CD2 3.21Å; W453-F457 HydrophobicContact CH2-CE1 4.25Å; W453-F457 AromaticContact CH2-CE2 3.72Å; W453-F457 HydrophobicContact CH2-CE2 3.72Å; W453-F457 AromaticContact CH2-CG 3.23Å; W453-F457 HydrophobicContact CH2-CG 3.23Å; W453-F457 HydrophobicContact CH2-CZ 4.21Å; W453-F457 HydrophobicContact CZ2-CB 3.4Å; W453-F457 VanDerWaalsContact CZ2-CB 3.4Å; W453-F457 HydrophobicContact CZ2-CD1 4.27Å; W453-F457 AromaticContact CZ2-CD2 3.96Å; W453-F457 HydrophobicContact CZ2-CD2 3.96Å; W453-F457 AromaticContact CZ2-CG 3.63Å; W453-F457 HydrophobicContact CZ2-CG 3.63Å; W453-F457 HydrophobicContact CZ3-CB 4.48Å; W453-F457 AromaticContact CZ3-CD2 3.49Å; W453-F457 HydrophobicContact CZ3-CD2 3.49Å; W453-F457 VanDerWaalsContact CZ3-CD2 3.49Å; W453-F457 AromaticContact CZ3-CE2 3.79Å; W453-F457 HydrophobicContact CZ3-CE2 3.79Å; W453-F457 HydrophobicContact CZ3-CG 4.02Å
454	D	89.1	Confident	89.3	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.027	18%	0.184	C	C	.	.			trans	-155.1	121.4	174.1	-174.7	-21.1	0	0	0	110.8	R456 F457 S458	D454-R456 PolarHBondContact O-N 3.08Å; D454-R456 VanDerWaalsContact O-N 3.09Å; D454-R456 WeakPolarHBondContact OD1-CB 3.32Å; D454-R456 WeakPolarHBondContact OD1-CG 3.28Å; D454-R456 PolarHBondContact OD1-N 2.9Å; D454-R456 IonicContact OD1-NE 2.81Å; D454-R456 PolarHBondContact OD1-NE 2.98Å; D454-R456 VanDerWaalsContact OD1-NE 3.16Å; D454-R456 IonicContact OD2-CZ 3.78Å; D454-R456 IonicContact OD2-NE 3.91Å; D454-R456 PolarHBondContact OD2-NE 3.22Å; D454-R456 IonicContact OD2-NH2 3.66Å; D454-R456 PolarHBondContact OD2-NH2 3.17Å; D454-F457 HydrophobicContact CB-CD2 3.91Å; D454-F457 HydrophobicContact CB-CE2 4.5Å; D454-F457 PolarHBondContact O-N 3.45Å; D454-F457 VanDerWaalsContact O-N 3.07Å; D454-S458 PolarHBondContact O-N 2.71Å; D454-S458 PolarHBondContact O-OG 3.04Å
455	S	84.8	Confident	89	Confident	37 Å²	37	35.9 Å²	35.9	26%	0.259	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.2	-176.9	55.3	0	0	0	0	114.1	F457 S458	S455-F457 VanDerWaalsContact C-N 3.27Å; S455-F457 PolarHBondContact O-N 3.41Å; S455-S458 PolarHBondContact O-N 3.44Å
456	R	83.1	Confident	88.8	Confident	182 Å²	182	39.6 Å²	39.6	69%	0.687	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-32.6	176.5	-63.9	177.8	-67.2	173.3	3.6	111.9	D454	D454-R456 PolarHBondContact O-N 3.08Å; D454-R456 VanDerWaalsContact O-N 3.09Å; D454-R456 WeakPolarHBondContact OD1-CB 3.32Å; D454-R456 WeakPolarHBondContact OD1-CG 3.28Å; D454-R456 PolarHBondContact OD1-N 2.9Å; D454-R456 IonicContact OD1-NE 2.81Å; D454-R456 PolarHBondContact OD1-NE 2.98Å; D454-R456 VanDerWaalsContact OD1-NE 3.16Å; D454-R456 IonicContact OD2-CZ 3.78Å; D454-R456 IonicContact OD2-NE 3.91Å; D454-R456 PolarHBondContact OD2-NE 3.22Å; D454-R456 IonicContact OD2-NH2 3.66Å; D454-R456 PolarHBondContact OD2-NH2 3.17Å
457	F	79.6	Confident	88.6	Confident	78 Å²	78	39.5 Å²	39.5	34%	0.342	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.8	179.7	-62.4	-88.3	0	0	0	112.7	W453 D454 S455 G459 N481	W453-F457 HydrophobicContact CE3-CD2 4.43Å; W453-F457 HydrophobicContact CH2-CB 3.6Å; W453-F457 AromaticContact CH2-CD1 3.79Å; W453-F457 HydrophobicContact CH2-CD1 3.79Å; W453-F457 AromaticContact CH2-CD2 3.21Å; W453-F457 HydrophobicContact CH2-CD2 3.21Å; W453-F457 HydrophobicContact CH2-CE1 4.25Å; W453-F457 AromaticContact CH2-CE2 3.72Å; W453-F457 HydrophobicContact CH2-CE2 3.72Å; W453-F457 AromaticContact CH2-CG 3.23Å; W453-F457 HydrophobicContact CH2-CG 3.23Å; W453-F457 HydrophobicContact CH2-CZ 4.21Å; W453-F457 HydrophobicContact CZ2-CB 3.4Å; W453-F457 VanDerWaalsContact CZ2-CB 3.4Å; W453-F457 HydrophobicContact CZ2-CD1 4.27Å; W453-F457 AromaticContact CZ2-CD2 3.96Å; W453-F457 HydrophobicContact CZ2-CD2 3.96Å; W453-F457 AromaticContact CZ2-CG 3.63Å; W453-F457 HydrophobicContact CZ2-CG 3.63Å; W453-F457 HydrophobicContact CZ3-CB 4.48Å; W453-F457 AromaticContact CZ3-CD2 3.49Å; W453-F457 HydrophobicContact CZ3-CD2 3.49Å; W453-F457 VanDerWaalsContact CZ3-CD2 3.49Å; W453-F457 AromaticContact CZ3-CE2 3.79Å; W453-F457 HydrophobicContact CZ3-CE2 3.79Å; W453-F457 HydrophobicContact CZ3-CG 4.02Å; D454-F457 HydrophobicContact CB-CD2 3.91Å; D454-F457 HydrophobicContact CB-CE2 4.5Å; D454-F457 PolarHBondContact O-N 3.45Å; D454-F457 VanDerWaalsContact O-N 3.07Å; S455-F457 VanDerWaalsContact C-N 3.27Å; S455-F457 PolarHBondContact O-N 3.41Å; F457-G459 PolarHBondContact O-N 2.9Å; F457-N481 PolarHBondContact O-ND2 3.39Å
458	S	69.7	Low	88.3	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.028	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	35.1	171.5	-52.5	0	0	0	0	113.1	D454 S455 G460 I461	D454-S458 PolarHBondContact O-N 2.71Å; D454-S458 PolarHBondContact O-OG 3.04Å; S455-S458 PolarHBondContact O-N 3.44Å; S458-G460 PolarHBondContact O-N 3.07Å; S458-G460 VanDerWaalsContact O-N 3.17Å; S458-I461 PolarHBondContact O-N 3.27Å
459	G	71.1	Confident	88.1	Confident	65 Å²	65	46.4 Å²	46.4	67%	0.67	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	21.3	-175.2	0	0	0	0	0	114.1	F457 I461	F457-G459 PolarHBondContact O-N 2.9Å; G459-I461 VanDerWaalsContact C-N 3.29Å; G459-I461 PolarHBondContact O-N 2.99Å
460	G	72.8	Confident	87.8	Confident	60 Å²	60	50.7 Å²	50.7	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	5.8	-174.6	0	0	0	0	0	114.8	S458	S458-G460 PolarHBondContact O-N 3.07Å; S458-G460 VanDerWaalsContact O-N 3.17Å
461	I	85.8	Confident	87.5	Confident	36 Å²	36	54.6 Å²	54.6	19%	0.185	30%	0.295	C	S	.	.			trans	-91.3	106.6	178	-54.9	-179	0	0	0	109.1	S458 G459 W463 K466 A473 I474 T477	S458-I461 PolarHBondContact O-N 3.27Å; G459-I461 VanDerWaalsContact C-N 3.29Å; G459-I461 PolarHBondContact O-N 2.99Å; I461-W463 PolarHBondContact O-N 3.02Å; I461-K466 HydrophobicContact CG2-CB 3.86Å; I461-K466 HydrophobicContact CG2-CG 3.93Å; I461-A473 HydrophobicContact CD1-CB 4.35Å; I461-I474 HydrophobicContact CG2-CG1 3.89Å; I461-T477 WeakPolarHBondContact CD1-OG1 3.3Å
462	Q	89.7	Confident	87.4	Confident	92 Å²	92	57 Å²	57	43%	0.43	32%	0.32	S	S	.	.			trans	-78	119.2	173.1	-172.3	-176.9	25.2	0	0	110.3	R464 S465 K466	Q462-R464 VanDerWaalsContact C-N 3.35Å; Q462-R464 PolarHBondContact O-N 2.77Å; Q462-S465 PolarHBondContact O-N 3.38Å; Q462-S465 PolarHBondContact O-OG 2.86Å; Q462-S465 VanDerWaalsContact O-OG 3.1Å; Q462-K466 PolarHBondContact O-N 3.38Å
463	W	94	Very high	87.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-42.3	-172.7	-70.3	13.1	0	0	0	112.7	F450 E452 I461 S465 K466 I467 I474 E478 Y505 V506 L520	F450-W463 HydrophobicContact CB-CH2 3.6Å; F450-W463 HydrophobicContact CB-CZ3 4.19Å; E452-W463 HydrophobicContact CB-CD2 3.7Å; E452-W463 HydrophobicContact CB-CE3 3.67Å; E452-W463 HydrophobicContact CB-CG 4.31Å; E452-W463 HydrophobicContact CB-CH2 3.83Å; E452-W463 HydrophobicContact CB-CZ2 3.89Å; E452-W463 HydrophobicContact CB-CZ3 3.74Å; E452-W463 HydrophobicContact CG-CD2 4.18Å; E452-W463 HydrophobicContact CG-CG 4.32Å; E452-W463 VanDerWaalsContact OE1-CD1 3.31Å; E452-W463 PolarHBondContact OE1-N 2.76Å; I461-W463 PolarHBondContact O-N 3.02Å; W463-S465 PolarHBondContact O-N 3.27Å; W463-S465 VanDerWaalsContact O-N 3.09Å; W463-K466 PolarHBondContact O-N 3.01Å; W463-I467 VanDerWaalsContact O-CB 3.29Å; W463-I467 WeakPolarHBondContact O-CB 3.46Å; W463-I467 VanDerWaalsContact O-CG2 3.3Å; W463-I467 WeakPolarHBondContact O-CG2 3.35Å; W463-I467 PolarHBondContact O-N 3.25Å; W463-I474 HydrophobicContact CB-CD1 4.21Å; W463-I474 HydrophobicContact CD2-CG2 4.13Å; W463-I474 HydrophobicContact CG-CD1 4.06Å; W463-I474 HydrophobicContact CG-CG2 4.21Å; W463-I474 HydrophobicContact CZ2-CG2 4.27Å; W463-E478 HydrophobicContact CZ2-CG 3.88Å; W463-E478 WeakPolarHBondContact CZ2-OE1 3.35Å; W463-Y505 HydrophobicContact CD2-CD1 4.47Å; W463-Y505 HydrophobicContact CE3-CD1 4.02Å; W463-Y505 HydrophobicContact CH2-CD1 4.2Å; W463-Y505 AromaticContact CZ3-CD1 3.88Å; W463-Y505 HydrophobicContact CZ3-CD1 3.88Å; W463-Y505 HydrophobicContact CZ3-CG 4.42Å; W463-V506 WeakPolarHBondContact CZ3-O 3.32Å; W463-L520 HydrophobicContact CB-CD1 3.69Å; W463-L520 HydrophobicContact CE3-CD1 4.32Å
464	R	91.8	Very high	87.4	Confident	69 Å²	69	57.9 Å²	57.9	26%	0.26	33%	0.331	S	S	.	.	H	α-helix	trans	-54.6	-30.6	179.6	-70.4	-175.7	175.8	86	5.1	114.5	T262 Q462 S507 R508 L520	T262-R464 WeakPolarHBondContact CG2-O 3.45Å; Q462-R464 VanDerWaalsContact C-N 3.35Å; Q462-R464 PolarHBondContact O-N 2.77Å; R464-S507 PolarHBondContact NH1-OG 3.18Å; R464-R508 PolarHBondContact NH1-O 2.83Å; R464-R508 PolarHBondContact NH2-O 2.72Å; R464-L520 HydrophobicContact CG-CD1 4.02Å; R464-L520 HydrophobicContact CG-CD2 4.01Å
465	S	90.6	Very high	87.6	Confident	69 Å²	69	58.7 Å²	58.7	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-95.2	-18.9	-179.6	61.3	0	0	0	0	113.1	Q462 W463	Q462-S465 PolarHBondContact O-N 3.38Å; Q462-S465 PolarHBondContact O-OG 2.86Å; Q462-S465 VanDerWaalsContact O-OG 3.1Å; W463-S465 PolarHBondContact O-N 3.27Å; W463-S465 VanDerWaalsContact O-N 3.09Å
466	K	92.6	Very high	88	Confident	77 Å²	77	59.8 Å²	59.8	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-118.3	-17.8	-168.3	-63.5	-57.2	-170.4	175.9	0	115.2	I461 Q462 W463 D468 T469 Q470 I474	I461-K466 HydrophobicContact CG2-CB 3.86Å; I461-K466 HydrophobicContact CG2-CG 3.93Å; Q462-K466 PolarHBondContact O-N 3.38Å; W463-K466 PolarHBondContact O-N 3.01Å; K466-D468 VanDerWaalsContact C-N 3.34Å; K466-D468 PolarHBondContact O-N 3.34Å; K466-T469 PolarHBondContact O-N 3.36Å; K466-T469 PolarHBondContact O-OG1 3.32Å; K466-Q470 HydrophobicContact CB-CB 4.42Å; K466-Q470 CarbonylContact O-C 3.49Å; K466-Q470 WeakPolarHBondContact O-CA 3.42Å; K466-Q470 PolarHBondContact O-N 2.96Å; K466-I474 HydrophobicContact CB-CD1 4.31Å
467	I	93.4	Very high	88.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.7	-171.1	-166.2	167.9	0	0	0	114.5	T262 W463 R471 I474 Y505 L520	T262-I467 HydrophobicContact CG2-CG2 3.15Å; W463-I467 VanDerWaalsContact O-CB 3.29Å; W463-I467 WeakPolarHBondContact O-CB 3.46Å; W463-I467 VanDerWaalsContact O-CG2 3.3Å; W463-I467 WeakPolarHBondContact O-CG2 3.35Å; W463-I467 PolarHBondContact O-N 3.25Å; I467-R471 WeakPolarHBondContact O-CB 3.32Å; I467-I474 VanDerWaalsContact CA-CD1 3.43Å; I467-I474 HydrophobicContact CB-CD1 3.6Å; I467-I474 HydrophobicContact CG1-CD1 3.98Å; I467-Y505 VanDerWaalsContact CD1-CB 3.44Å; I467-Y505 HydrophobicContact CD1-CD1 3.93Å; I467-Y505 HydrophobicContact CD1-CD2 3.93Å; I467-Y505 HydrophobicContact CD1-CG 3.49Å; I467-Y505 VanDerWaalsContact CD1-CG 3.49Å; I467-L520 HydrophobicContact CD1-CB 4.05Å
468	D	92.3	Very high	89.1	Confident	67 Å²	67	48.9 Å²	48.9	36%	0.358	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-23.7	179.3	-66.5	-29	0	0	0	112.8	T262 K466	T262-D468 WeakPolarHBondContact CB-OD2 3.19Å; T262-D468 WeakPolarHBondContact CG2-OD2 3.47Å; T262-D468 PolarHBondContact N-OD2 3.02Å; T262-D468 PolarHBondContact OG1-OD2 3.08Å; K466-D468 VanDerWaalsContact C-N 3.34Å; K466-D468 PolarHBondContact O-N 3.34Å
469	T	93.4	Very high	90.3	Very high	109 Å²	109	51 Å²	51	67%	0.669	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-31.6	-175.4	54.5	0	0	0	0	113.8	K466	K466-T469 PolarHBondContact O-N 3.36Å; K466-T469 PolarHBondContact O-OG1 3.32Å
470	Q	91.3	Very high	91.4	Very high	90 Å²	90	53.5 Å²	53.5	42%	0.421	31%	0.309	S	S	.	.			trans	-133.1	40.7	-170.6	-61.5	-174.4	-14.5	0	0	111.5	K466 G472 A473 I474	K466-Q470 HydrophobicContact CB-CB 4.42Å; K466-Q470 CarbonylContact O-C 3.49Å; K466-Q470 WeakPolarHBondContact O-CA 3.42Å; K466-Q470 PolarHBondContact O-N 2.96Å; Q470-G472 PolarHBondContact O-N 2.91Å; Q470-A473 HydrophobicContact CB-CB 4.11Å; Q470-A473 WeakPolarHBondContact O-CB 3.25Å; Q470-A473 PolarHBondContact O-N 3.23Å; Q470-I474 PolarHBondContact O-N 3.04Å
471	R	91.2	Very high	92.4	Very high	83 Å²	83	51.3 Å²	51.3	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-52.3	-41.1	179.6	-163.6	174.5	-63.5	168.1	-4.6	113.2	I467 A473 I474 L475 S521	I467-R471 WeakPolarHBondContact O-CB 3.32Å; R471-A473 VanDerWaalsContact C-N 3.3Å; R471-A473 PolarHBondContact O-N 2.79Å; R471-I474 PolarHBondContact O-N 2.95Å; R471-L475 PolarHBondContact O-N 3.04Å; R471-S521 PolarHBondContact NH2-OG 3.01Å
472	G	92.2	Very high	92.8	Very high	54 Å²	54	49.7 Å²	49.7	56%	0.557	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-33.4	176.8	0	0	0	0	0	113.7	Q470 A476	Q470-G472 PolarHBondContact O-N 2.91Å; G472-A476 WeakPolarHBondContact O-CB 3.49Å; G472-A476 PolarHBondContact O-N 3.23Å
473	A	92.4	Very high	93.1	Very high	37 Å²	37	46.5 Å²	46.5	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-70.7	-38.8	176.3	0	0	0	0	0	111.6	I461 Q470 R471 A476 T477	I461-A473 HydrophobicContact CD1-CB 4.35Å; Q470-A473 HydrophobicContact CB-CB 4.11Å; Q470-A473 WeakPolarHBondContact O-CB 3.25Å; Q470-A473 PolarHBondContact O-N 3.23Å; R471-A473 VanDerWaalsContact C-N 3.3Å; R471-A473 PolarHBondContact O-N 2.79Å; A473-A476 PolarHBondContact O-N 3.39Å; A473-T477 PolarHBondContact O-N 3.21Å; A473-T477 PolarHBondContact O-OG1 2.84Å; A473-T477 VanDerWaalsContact O-OG1 3.13Å
474	I	93.6	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-49.1	173.9	-64.2	177.2	0	0	0	110	I461 W463 K466 I467 Q470 R471 A476 T477 E478 Y505	I461-I474 HydrophobicContact CG2-CG1 3.89Å; W463-I474 HydrophobicContact CB-CD1 4.21Å; W463-I474 HydrophobicContact CD2-CG2 4.13Å; W463-I474 HydrophobicContact CG-CD1 4.06Å; W463-I474 HydrophobicContact CG-CG2 4.21Å; W463-I474 HydrophobicContact CZ2-CG2 4.27Å; K466-I474 HydrophobicContact CB-CD1 4.31Å; I467-I474 VanDerWaalsContact CA-CD1 3.43Å; I467-I474 HydrophobicContact CB-CD1 3.6Å; I467-I474 HydrophobicContact CG1-CD1 3.98Å; Q470-I474 PolarHBondContact O-N 3.04Å; R471-I474 PolarHBondContact O-N 2.95Å; I474-A476 VanDerWaalsContact C-N 3.3Å; I474-A476 PolarHBondContact O-N 2.79Å; I474-T477 WeakPolarHBondContact O-CB 3.36Å; I474-T477 PolarHBondContact O-N 3.33Å; I474-T477 VanDerWaalsContact O-N 3.16Å; I474-E478 HydrophobicContact CG2-CG 4.39Å; I474-E478 WeakPolarHBondContact O-CG 3.48Å; I474-E478 PolarHBondContact O-N 3.18Å; I474-Y505 HydrophobicContact CG2-CD1 4.2Å; I474-Y505 HydrophobicContact CG2-CE1 3.84Å
475	L	93.8	Very high	93.5	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-39.2	178.4	-177.1	64	0	0	0	112.4	F450 R471 E478 L479 F525 F530	F450-L475 HydrophobicContact CE2-CD1 4.23Å; F450-L475 HydrophobicContact CZ-CD1 4.05Å; R471-L475 PolarHBondContact O-N 3.04Å; L475-E478 PolarHBondContact O-N 3.1Å; L475-L479 VanDerWaalsContact O-CB 3.32Å; L475-L479 WeakPolarHBondContact O-CB 3.48Å; L475-L479 PolarHBondContact O-N 3.43Å; L475-F525 HydrophobicContact CD2-CE1 4.44Å; L475-F525 HydrophobicContact CD2-CE2 4.36Å; L475-F525 HydrophobicContact CD2-CZ 3.65Å; L475-F530 HydrophobicContact CD1-CE2 4.3Å; L475-F530 HydrophobicContact CD1-CZ 4.46Å; L475-F530 HydrophobicContact CD2-CE2 4.38Å
476	A	93.1	Very high	93.8	Very high	60 Å²	60	40.2 Å²	40.2	50%	0.496	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-38.9	176.2	0	0	0	0	0	112.6	G472 A473 I474 L479 K480	G472-A476 WeakPolarHBondContact O-CB 3.49Å; G472-A476 PolarHBondContact O-N 3.23Å; A473-A476 PolarHBondContact O-N 3.39Å; I474-A476 VanDerWaalsContact C-N 3.3Å; I474-A476 PolarHBondContact O-N 2.79Å; A476-L479 PolarHBondContact O-N 3.42Å; A476-K480 PolarHBondContact O-N 3.47Å; A476-K480 VanDerWaalsContact O-N 3.12Å
477	T	93.5	Very high	94	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.153	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-45.1	173.5	-62.9	0	0	0	0	111.2	I461 A473 I474 L479 K480 N481	I461-T477 WeakPolarHBondContact CD1-OG1 3.3Å; A473-T477 PolarHBondContact O-N 3.21Å; A473-T477 PolarHBondContact O-OG1 2.84Å; A473-T477 VanDerWaalsContact O-OG1 3.13Å; I474-T477 WeakPolarHBondContact O-CB 3.36Å; I474-T477 PolarHBondContact O-N 3.33Å; I474-T477 VanDerWaalsContact O-N 3.16Å; T477-L479 VanDerWaalsContact C-N 3.35Å; T477-L479 PolarHBondContact O-N 3.35Å; T477-K480 PolarHBondContact O-N 3.21Å; T477-N481 WeakPolarHBondContact O-CB 3.22Å; T477-N481 PolarHBondContact O-N 2.98Å
478	E	93.8	Very high	94.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-40.9	176	-73.5	-54.3	117.7	0	0	111.9	F450 W463 I474 L475 K480 N481 N482	F450-E478 HydrophobicContact CD1-CB 4.35Å; F450-E478 HydrophobicContact CD1-CG 4.32Å; F450-E478 HydrophobicContact CE1-CB 4.2Å; W463-E478 HydrophobicContact CZ2-CG 3.88Å; W463-E478 WeakPolarHBondContact CZ2-OE1 3.35Å; I474-E478 HydrophobicContact CG2-CG 4.39Å; I474-E478 WeakPolarHBondContact O-CG 3.48Å; I474-E478 PolarHBondContact O-N 3.18Å; L475-E478 PolarHBondContact O-N 3.1Å; E478-K480 VanDerWaalsContact C-N 3.28Å; E478-K480 PolarHBondContact O-N 3.21Å; E478-N481 PolarHBondContact O-N 3.33Å; E478-N482 WeakPolarHBondContact O-CA 3.47Å; E478-N482 VanDerWaalsContact O-CB 3.29Å; E478-N482 WeakPolarHBondContact O-CB 3.45Å; E478-N482 PolarHBondContact O-N 3.4Å; E478-N482 PolarHBondContact OE2-ND2 3.34Å
479	L	94	Very high	94.5	Very high	48 Å²	48	35.3 Å²	35.3	25%	0.251	21%	0.205	S	C	.	.	H	α-helix	trans	-59.3	-39.7	174.6	179.3	58.7	0	0	0	112.3	L475 A476 T477 S483 L486 I534	L475-L479 VanDerWaalsContact O-CB 3.32Å; L475-L479 WeakPolarHBondContact O-CB 3.48Å; L475-L479 PolarHBondContact O-N 3.43Å; A476-L479 PolarHBondContact O-N 3.42Å; T477-L479 VanDerWaalsContact C-N 3.35Å; T477-L479 PolarHBondContact O-N 3.35Å; L479-S483 WeakPolarHBondContact O-CA 3.45Å; L479-S483 VanDerWaalsContact O-CB 3.3Å; L479-S483 WeakPolarHBondContact O-CB 3.48Å; L479-S483 PolarHBondContact O-N 3.4Å; L479-L486 HydrophobicContact CB-CD1 4.3Å; L479-L486 HydrophobicContact CD1-CD1 4.16Å; L479-I534 HydrophobicContact CD1-CB 3.68Å; L479-I534 HydrophobicContact CD1-CG2 3.56Å; L479-I534 HydrophobicContact CD2-CB 4.48Å; L479-I534 HydrophobicContact CD2-CG2 4.26Å
480	K	93.6	Very high	94.7	Very high	119 Å²	119	30.1 Å²	30.1	52%	0.517	17%	0.173	S	C	.	.	H	α-helix	trans	-71	-42.9	177.5	-175.2	179.6	178.5	-178.8	0	112.1	T346 A476 T477 E478	T346-K480 CarbonylContact C-O 3.59Å; T346-K480 VanDerWaalsContact O-O 3.09Å; T346-K480 PolarHBondContact OG1-O 2.63Å; A476-K480 PolarHBondContact O-N 3.47Å; A476-K480 VanDerWaalsContact O-N 3.12Å; T477-K480 PolarHBondContact O-N 3.21Å; E478-K480 VanDerWaalsContact C-N 3.28Å; E478-K480 PolarHBondContact O-N 3.21Å
481	N	94.1	Very high	95	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-82.2	-27.3	-174.3	-71	-8.7	0	0	0	113.5	S344 E345 T346 A347 F457 T477 E478	S344-N481 CarbonylContact C-O 3.59Å; S344-N481 VanDerWaalsContact CA-O 3.26Å; S344-N481 WeakPolarHBondContact CA-O 3.32Å; E345-N481 PolarHBondContact N-O 2.92Å; T346-N481 PolarHBondContact N-O 3.29Å; T346-N481 PolarHBondContact OG1-O 3.48Å; T346-N481 VanDerWaalsContact OG1-O 3.11Å; A347-N481 HydrophobicContact CB-CB 4.19Å; A347-N481 PolarHBondContact N-O 3.05Å; F457-N481 PolarHBondContact O-ND2 3.39Å; T477-N481 WeakPolarHBondContact O-CB 3.22Å; T477-N481 PolarHBondContact O-N 2.98Å; E478-N481 PolarHBondContact O-N 3.33Å
482	N	95.5	Very high	95.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.011	14%	0.142	C	C	.	.	S	Bend	trans	-127.7	36.5	-171.5	-70.4	-61.3	0	0	0	112.3	S344 T346 E478 C484 K485 L486	S344-N482 PolarHBondContact N-OD1 2.68Å; T346-N482 PolarHBondContact OG1-N 2.8Å; E478-N482 WeakPolarHBondContact O-CA 3.47Å; E478-N482 VanDerWaalsContact O-CB 3.29Å; E478-N482 WeakPolarHBondContact O-CB 3.45Å; E478-N482 PolarHBondContact O-N 3.4Å; E478-N482 PolarHBondContact OE2-ND2 3.34Å; N482-C484 PolarHBondContact O-N 2.82Å; N482-K485 HydrophobicContact CB-CB 4.41Å; N482-K485 PolarHBondContact O-N 3.43Å; N482-K485 WeakPolarHBondContact OD1-CE 3.43Å; N482-K485 PolarHBondContact OD1-NZ 3.16Å; N482-L486 WeakPolarHBondContact O-CB 3.44Å; N482-L486 PolarHBondContact O-N 3.05Å
483	S	95.7	Very high	95.5	Very high	26 Å²	26	20.2 Å²	20.2	18%	0.182	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-41.5	-171.1	-175.4	0	0	0	0	113.5	R312 T346 L479 A487	R312-S483 PolarHBondContact NH1-OG 3.47Å; T346-S483 WeakPolarHBondContact OG1-CB 3.07Å; T346-S483 PolarHBondContact OG1-N 3.36Å; L479-S483 WeakPolarHBondContact O-CA 3.45Å; L479-S483 VanDerWaalsContact O-CB 3.3Å; L479-S483 WeakPolarHBondContact O-CB 3.48Å; L479-S483 PolarHBondContact O-N 3.4Å; S483-A487 WeakPolarHBondContact O-CB 3.49Å; S483-A487 PolarHBondContact O-N 2.95Å; S483-A487 VanDerWaalsContact O-N 3.08Å
484	C	95.9	Very high	95.7	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-49.7	178	-171.8	0	0	0	0	111.6	R312 N482 L486 A487 K488	R312-C484 HydrophobicContact CB-CB 4.12Å; N482-C484 PolarHBondContact O-N 2.82Å; C484-L486 VanDerWaalsContact C-N 3.34Å; C484-L486 PolarHBondContact O-N 3.29Å; C484-A487 PolarHBondContact O-N 3.37Å; C484-K488 WeakPolarHBondContact O-CG 3.24Å; C484-K488 PolarHBondContact O-N 3.31Å
485	K	96.8	Very high	95.9	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-53.6	-49.2	176.8	175.6	169.7	64.2	-171	0	112.1	P341 T342 N451 N482 K488 W489	P341-K485 HydrophobicContact CB-CD 3.66Å; P341-K485 HydrophobicContact CB-CG 4.35Å; T342-K485 VanDerWaalsContact O-CD 3.24Å; T342-K485 WeakPolarHBondContact O-CD 3.46Å; T342-K485 VanDerWaalsContact O-CE 3.26Å; T342-K485 WeakPolarHBondContact O-CE 3.44Å; T342-K485 PolarHBondContact O-NZ 3.49Å; N451-K485 PolarHBondContact OD1-NZ 2.79Å; N482-K485 HydrophobicContact CB-CB 4.41Å; N482-K485 PolarHBondContact O-N 3.43Å; N482-K485 WeakPolarHBondContact OD1-CE 3.43Å; N482-K485 PolarHBondContact OD1-NZ 3.16Å; K485-K488 PolarHBondContact O-N 2.61Å; K485-W489 HydrophobicContact CD-CH2 3.56Å; K485-W489 HydrophobicContact CD-CZ2 3.53Å; K485-W489 HydrophobicContact CD-CZ3 4.22Å; K485-W489 HydrophobicContact CG-CD2 3.98Å; K485-W489 HydrophobicContact CG-CE3 4.17Å; K485-W489 HydrophobicContact CG-CH2 3.81Å; K485-W489 HydrophobicContact CG-CZ2 3.59Å; K485-W489 HydrophobicContact CG-CZ3 4.1Å; K485-W489 PolarHBondContact O-N 3.31Å; K485-W489 VanDerWaalsContact O-N 3.08Å
486	L	96.8	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-42.4	-180	-84.4	166	0	0	0	113	F450 L479 N482 C484 W489 T490 F503 F530	F450-L486 HydrophobicContact CE1-CD1 3.93Å; F450-L486 HydrophobicContact CE1-CD2 3.36Å; F450-L486 HydrophobicContact CE1-CG 3.84Å; F450-L486 HydrophobicContact CZ-CD1 4.33Å; F450-L486 HydrophobicContact CZ-CD2 3.38Å; F450-L486 HydrophobicContact CZ-CG 4.28Å; L479-L486 HydrophobicContact CB-CD1 4.3Å; L479-L486 HydrophobicContact CD1-CD1 4.16Å; N482-L486 WeakPolarHBondContact O-CB 3.44Å; N482-L486 PolarHBondContact O-N 3.05Å; C484-L486 VanDerWaalsContact C-N 3.34Å; C484-L486 PolarHBondContact O-N 3.29Å; L486-W489 HydrophobicContact CD2-CE3 4.17Å; L486-W489 PolarHBondContact O-N 3.13Å; L486-T490 WeakPolarHBondContact O-CB 3.3Å; L486-T490 PolarHBondContact O-N 2.97Å; L486-T490 PolarHBondContact O-OG1 3.44Å; L486-F503 HydrophobicContact CD2-CE1 4.32Å; L486-F503 HydrophobicContact CD2-CZ 4.02Å; L486-F530 HydrophobicContact CD2-CE1 4.02Å; L486-F530 HydrophobicContact CD2-CZ 3.91Å
487	A	97.5	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-46.4	176	0	0	0	0	0	111.4	C309 S483 C484 W489 T490 V491 I534	C309-A487 HydrophobicContact CB-CB 4.11Å; C309-A487 VanDerWaalsContact SG-C 3.53Å; S483-A487 WeakPolarHBondContact O-CB 3.49Å; S483-A487 PolarHBondContact O-N 2.95Å; S483-A487 VanDerWaalsContact O-N 3.08Å; C484-A487 PolarHBondContact O-N 3.37Å; A487-W489 PolarHBondContact O-N 2.97Å; A487-T490 PolarHBondContact O-N 2.81Å; A487-T490 VanDerWaalsContact O-N 3.17Å; A487-V491 WeakPolarHBondContact O-CG2 3.26Å; A487-V491 PolarHBondContact O-N 2.82Å; A487-I534 HydrophobicContact CB-CD1 4.42Å
488	K	97.8	Very high	96.3	Very high	25 Å²	25	17.2 Å²	17.2	11%	0.109	9%	0.093	C	C	.	.	H	α-helix	trans	-57.6	-48.6	177	-70.7	-163.9	-64.5	174.9	0	112.1	A305 T306 C309 C484 K485 T490 V491 Q492	A305-K488 HydrophobicContact CB-CB 4.32Å; T306-K488 WeakPolarHBondContact OG1-CD 3.07Å; C309-K488 HydrophobicContact CB-CG 4.06Å; C484-K488 WeakPolarHBondContact O-CG 3.24Å; C484-K488 PolarHBondContact O-N 3.31Å; K485-K488 PolarHBondContact O-N 2.61Å; K488-T490 VanDerWaalsContact C-N 3.27Å; K488-T490 PolarHBondContact O-N 3.19Å; K488-V491 PolarHBondContact O-N 3.17Å; K488-Q492 WeakPolarHBondContact O-CG 3.49Å; K488-Q492 PolarHBondContact O-N 2.81Å
489	W	97.8	Very high	96.4	Very high	16 Å²	16	20.3 Å²	20.3	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-36.1	177.7	-68	-17.6	0	0	0	113.4	P341 K448 A449 F450 K485 L486 A487 A493 F503	P341-W489 HydrophobicContact CB-CZ2 4.03Å; K448-W489 HydrophobicContact CB-CD2 3.77Å; K448-W489 HydrophobicContact CB-CE3 3.75Å; K448-W489 HydrophobicContact CB-CG 4.33Å; K448-W489 HydrophobicContact CB-CH2 4.12Å; K448-W489 HydrophobicContact CB-CZ2 4.14Å; K448-W489 HydrophobicContact CB-CZ3 3.93Å; K448-W489 HydrophobicContact CD-CD2 4.35Å; K448-W489 HydrophobicContact CD-CG 4.25Å; K448-W489 HydrophobicContact CG-CB 4.22Å; K448-W489 HydrophobicContact CG-CD2 3.79Å; K448-W489 HydrophobicContact CG-CE3 4.23Å; K448-W489 HydrophobicContact CG-CG 3.81Å; A449-W489 VanDerWaalsContact O-CH2 3.3Å; A449-W489 WeakPolarHBondContact O-CH2 3.41Å; F450-W489 HydrophobicContact CD1-CZ3 4.19Å; F450-W489 HydrophobicContact CE1-CZ3 4.12Å; K485-W489 HydrophobicContact CD-CH2 3.56Å; K485-W489 HydrophobicContact CD-CZ2 3.53Å; K485-W489 HydrophobicContact CD-CZ3 4.22Å; K485-W489 HydrophobicContact CG-CD2 3.98Å; K485-W489 HydrophobicContact CG-CE3 4.17Å; K485-W489 HydrophobicContact CG-CH2 3.81Å; K485-W489 HydrophobicContact CG-CZ2 3.59Å; K485-W489 HydrophobicContact CG-CZ3 4.1Å; K485-W489 PolarHBondContact O-N 3.31Å; K485-W489 VanDerWaalsContact O-N 3.08Å; L486-W489 HydrophobicContact CD2-CE3 4.17Å; L486-W489 PolarHBondContact O-N 3.13Å; A487-W489 PolarHBondContact O-N 2.97Å; W489-A493 PolarHBondContact O-N 2.79Å; W489-A493 VanDerWaalsContact O-N 3.08Å; W489-F503 HydrophobicContact CE3-CD1 4.43Å; W489-F503 AromaticContact CE3-CE1 3.82Å; W489-F503 HydrophobicContact CE3-CE1 3.82Å; W489-F503 HydrophobicContact CZ3-CE1 4.31Å
490	T	97.9	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-71.3	-42.1	179.1	-51.8	0	0	0	0	110.6	L486 A487 K488 A493 L494 F530 A531 I534 L536	L486-T490 WeakPolarHBondContact O-CB 3.3Å; L486-T490 PolarHBondContact O-N 2.97Å; L486-T490 PolarHBondContact O-OG1 3.44Å; A487-T490 PolarHBondContact O-N 2.81Å; A487-T490 VanDerWaalsContact O-N 3.17Å; K488-T490 VanDerWaalsContact C-N 3.27Å; K488-T490 PolarHBondContact O-N 3.19Å; T490-A493 PolarHBondContact O-N 2.86Å; T490-L494 HydrophobicContact CG2-CD1 4.26Å; T490-L494 WeakPolarHBondContact O-CG 3.5Å; T490-L494 PolarHBondContact O-N 3.37Å; T490-F530 HydrophobicContact CG2-CD1 3.99Å; T490-F530 VanDerWaalsContact OG1-CD1 3.22Å; T490-F530 WeakPolarHBondContact OG1-CD1 3.35Å; T490-F530 WeakPolarHBondContact OG1-CE1 3.43Å; T490-A531 HydrophobicContact CG2-CB 3.86Å; T490-I534 HydrophobicContact CG2-CD1 4.22Å; T490-I534 WeakPolarHBondContact OG1-CD1 3.42Å; T490-L536 HydrophobicContact CG2-CD2 4.09Å
491	V	97.5	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-44.2	173.8	172.2	0	0	0	0	111.2	A305 M308 C309 A487 K488 A493 L494 L495 L536 M538	A305-V491 HydrophobicContact CB-CB 4.06Å; A305-V491 HydrophobicContact CB-CG1 3.84Å; M308-V491 HydrophobicContact CB-CG1 4.29Å; M308-V491 HydrophobicContact CG-CG1 4.5Å; M308-V491 HydrophobicContact SD-CG1 3.5Å; M308-V491 WeakPolarHBondContact SD-CG1 3.45Å; C309-V491 VanDerWaalsContact SG-CG2 3.52Å; A487-V491 WeakPolarHBondContact O-CG2 3.26Å; A487-V491 PolarHBondContact O-N 2.82Å; K488-V491 PolarHBondContact O-N 3.17Å; V491-A493 VanDerWaalsContact C-N 3.33Å; V491-A493 PolarHBondContact O-N 3.27Å; V491-L494 PolarHBondContact O-N 2.9Å; V491-L494 VanDerWaalsContact O-N 3.16Å; V491-L495 HydrophobicContact CG1-CD1 3.69Å; V491-L495 HydrophobicContact CG1-CG 3.97Å; V491-L495 WeakPolarHBondContact O-CB 3.26Å; V491-L495 VanDerWaalsContact O-CG 3.31Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 3.27Å; V491-L536 HydrophobicContact CG2-CD1 4.37Å; V491-L536 HydrophobicContact CG2-CD2 3.62Å; V491-M538 HydrophobicContact CG2-SD 4.35Å
492	Q	97.5	Very high	96.9	Very high	19 Å²	19	14.2 Å²	14.2	9%	0.089	8%	0.08	C	C	.	.	H	α-helix	trans	-55.7	-47.7	174.9	-74.5	172.1	-11.1	0	0	111.6	D301 A305 K488 L494 L495 A496	D301-Q492 HydrophobicContact CB-CG 4.28Å; A305-Q492 HydrophobicContact CB-CG 3.89Å; K488-Q492 WeakPolarHBondContact O-CG 3.49Å; K488-Q492 PolarHBondContact O-N 2.81Å; Q492-L494 VanDerWaalsContact C-N 3.32Å; Q492-L494 PolarHBondContact O-N 2.88Å; Q492-L495 PolarHBondContact O-N 2.86Å; Q492-A496 VanDerWaalsContact O-CB 3.28Å; Q492-A496 WeakPolarHBondContact O-CB 3.43Å; Q492-A496 PolarHBondContact O-N 2.94Å
493	A	97.5	Very high	97	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-35.9	178.1	0	0	0	0	0	113	T446 W489 T490 V491 G497 S498 L501 P527	T446-A493 HydrophobicContact CG2-CB 4.21Å; W489-A493 PolarHBondContact O-N 2.79Å; W489-A493 VanDerWaalsContact O-N 3.08Å; T490-A493 PolarHBondContact O-N 2.86Å; V491-A493 VanDerWaalsContact C-N 3.33Å; V491-A493 PolarHBondContact O-N 3.27Å; A493-G497 PolarHBondContact O-N 3.09Å; A493-G497 VanDerWaalsContact O-N 3.12Å; A493-S498 PolarHBondContact O-N 2.84Å; A493-L501 HydrophobicContact CB-CD1 4.2Å; A493-P527 HydrophobicContact CB-CB 4.05Å; A493-P527 HydrophobicContact CB-CG 3.84Å
494	L	97	Very high	97.1	Very high	39 Å²	39	12.9 Å²	12.9	20%	0.204	7%	0.071	C	C	.	.	H	α-helix	trans	-71	-44.2	176.1	-74	170.3	0	0	0	112.3	T490 V491 Q492 G497 P527 T528 A531 M538	T490-L494 HydrophobicContact CG2-CD1 4.26Å; T490-L494 WeakPolarHBondContact O-CG 3.5Å; T490-L494 PolarHBondContact O-N 3.37Å; V491-L494 PolarHBondContact O-N 2.9Å; V491-L494 VanDerWaalsContact O-N 3.16Å; Q492-L494 VanDerWaalsContact C-N 3.32Å; Q492-L494 PolarHBondContact O-N 2.88Å; L494-G497 PolarHBondContact O-N 3.35Å; L494-G497 VanDerWaalsContact O-N 3.11Å; L494-P527 HydrophobicContact CD2-CB 3.68Å; L494-P527 HydrophobicContact CG-CB 3.9Å; L494-T528 HydrophobicContact CD2-CG2 3.72Å; L494-A531 HydrophobicContact CD1-CB 4.04Å; L494-M538 HydrophobicContact CD1-CE 4.24Å; L494-M538 HydrophobicContact CD1-CG 3.93Å; L494-M538 HydrophobicContact CD1-SD 3.49Å; L494-M538 WeakPolarHBondContact CD1-SD 3.35Å
495	L	97	Very high	97.1	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-63.4	-43.4	176.8	-69.5	176	0	0	0	110.9	I304 M308 R415 W417 V491 Q492 G497 W542	I304-L495 HydrophobicContact CB-CD1 4.27Å; I304-L495 HydrophobicContact CG2-CD1 3.81Å; M308-L495 HydrophobicContact CE-CD2 4.08Å; M308-L495 HydrophobicContact SD-CD1 4.48Å; R415-L495 WeakPolarHBondContact CD-O 3.31Å; W417-L495 HydrophobicContact CH2-CB 4.38Å; W417-L495 HydrophobicContact CH2-CD2 4.22Å; W417-L495 WeakPolarHBondContact CH2-O 3.47Å; W417-L495 HydrophobicContact CZ2-CD2 4.01Å; W417-L495 WeakPolarHBondContact CZ2-O 3.42Å; V491-L495 HydrophobicContact CG1-CD1 3.69Å; V491-L495 HydrophobicContact CG1-CG 3.97Å; V491-L495 WeakPolarHBondContact O-CB 3.26Å; V491-L495 VanDerWaalsContact O-CG 3.31Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 3.27Å; Q492-L495 PolarHBondContact O-N 2.86Å; L495-G497 PolarHBondContact O-N 2.94Å; L495-W542 HydrophobicContact CD2-CH2 4.01Å; L495-W542 HydrophobicContact CD2-CZ2 3.94Å
496	A	96.6	Very high	97.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.4	-22.8	174.6	0	0	0	0	0	113	R415 C429 E430 H431 Q492	R415-A496 PolarHBondContact NH1-O 2.7Å; C429-A496 HydrophobicContact CB-CB 3.8Å; E430-A496 WeakPolarHBondContact O-CB 3.29Å; H431-A496 PolarHBondContact CE1-O 3.24Å; H431-A496 PolarHBondContact NE2-O 2.83Å; Q492-A496 VanDerWaalsContact O-CB 3.28Å; Q492-A496 WeakPolarHBondContact O-CB 3.43Å; Q492-A496 PolarHBondContact O-N 2.94Å
497	G	95.5	Very high	97	Very high	31 Å²	31	12.6 Å²	12.6	32%	0.32	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	42.8	-170.8	0	0	0	0	0	112.1	R415 A493 L494 L495	R415-G497 VanDerWaalsContact NH1-CA 3.34Å; A493-G497 PolarHBondContact O-N 3.09Å; A493-G497 VanDerWaalsContact O-N 3.12Å; L494-G497 PolarHBondContact O-N 3.35Å; L494-G497 VanDerWaalsContact O-N 3.11Å; L495-G497 PolarHBondContact O-N 2.94Å
498	S	96.2	Very high	97	Very high	8 Å²	8	12.8 Å²	12.8	6%	0.056	7%	0.069	C	C	.	.			trans	-67.6	138	172.3	-65	0	0	0	0	110.4	H431 T446 A493 P527	H431-S498 PolarHBondContact CE1-OG 3.03Å; H431-S498 PolarHBondContact ND1-OG 2.99Å; T446-S498 WeakPolarHBondContact OG1-CB 3.47Å; T446-S498 PolarHBondContact OG1-OG 3.29Å; A493-S498 PolarHBondContact O-N 2.84Å; S498-P527 WeakPolarHBondContact O-CG 3.45Å
499	D	96.3	Very high	96.7	Very high	70 Å²	70	14.5 Å²	14.5	37%	0.374	8%	0.079	S	C	.	.	S	Bend	trans	-69.3	-38.4	176.7	-63.2	-76.1	0	0	0	111.5	Q443 F444 P527	Q443-D499 VanDerWaalsContact CA-OD2 3.23Å; Q443-D499 WeakPolarHBondContact CA-OD2 3.28Å; Q443-D499 HydrophobicContact CB-CB 4.02Å; Q443-D499 HydrophobicContact CG-CB 4.41Å; F444-D499 PolarHBondContact N-OD2 2.93Å; F444-D499 PolarHBondContact O-N 2.97Å; D499-P527 WeakPolarHBondContact O-CD 3.29Å
500	Y	97.4	Very high	96.5	Very high	49 Å²	49	19.8 Å²	19.8	19%	0.192	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142	179.4	-63.7	-69.1	0	0	0	113	M435 Q443 F444 L445 T446 Q524 F525 K526	M435-Y500 HydrophobicContact CE-CD2 4.01Å; M435-Y500 HydrophobicContact CE-CE2 4.02Å; Q443-Y500 VanDerWaalsContact OE1-CE2 3.32Å; F444-Y500 PolarHBondContact O-N 2.96Å; L445-Y500 WeakPolarHBondContact CA-O 3.31Å; L445-Y500 HydrophobicContact CD2-CD2 4.21Å; L445-Y500 HydrophobicContact CD2-CG 4.46Å; T446-Y500 PolarHBondContact N-O 3.25Å; Y500-Q524 HydrophobicContact CD1-CG 3.68Å; Y500-Q524 HydrophobicContact CE1-CG 4.36Å; Y500-Q524 HydrophobicContact CG-CG 3.92Å; Y500-Q524 VanDerWaalsContact CZ-NE2 3.28Å; Y500-F525 WeakPolarHBondContact CA-O 3.46Å; Y500-K526 HydrophobicContact CD1-CG 4Å; Y500-K526 HydrophobicContact CE1-CG 3.76Å
501	L	97.5	Very high	96.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.3	166.3	-178.4	58.3	0	0	0	107.9	T446 K448 A493 F503 F525 P527 F530	T446-L501 HydrophobicContact CG2-CD1 3.73Å; T446-L501 WeakPolarHBondContact O-CA 3.43Å; K448-L501 HydrophobicContact CG-CD1 4.49Å; A493-L501 HydrophobicContact CB-CD1 4.2Å; L501-F503 HydrophobicContact CD1-CE1 4.06Å; L501-F503 HydrophobicContact CD1-CZ 4.26Å; L501-F503 HydrophobicContact CD2-CE1 3.97Å; L501-F503 HydrophobicContact CD2-CE2 3.98Å; L501-F503 HydrophobicContact CD2-CZ 3.34Å; L501-F503 HydrophobicContact CG-CE1 3.86Å; L501-F503 HydrophobicContact CG-CE2 4.06Å; L501-F503 HydrophobicContact CG-CZ 3.59Å; L501-F525 PolarHBondContact N-O 3.16Å; L501-F525 PolarHBondContact O-N 2.96Å; L501-P527 HydrophobicContact CB-CG 4.23Å; L501-F530 HydrophobicContact CD2-CD1 3.92Å; L501-F530 HydrophobicContact CD2-CE1 4.37Å
502	K	97.6	Very high	95.8	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.4	177	-81.1	-170.9	176.7	-80.7	0	110.4	Y253 D258 L445 T446 I447 K448 Q523 Q524	Y253-K502 HydrophobicContact CD1-CD 4.29Å; Y253-K502 HydrophobicContact CD2-CD 3.98Å; Y253-K502 HydrophobicContact CE1-CD 3.95Å; Y253-K502 VanDerWaalsContact CE1-NZ 3.34Å; Y253-K502 HydrophobicContact CE2-CD 3.6Å; Y253-K502 HydrophobicContact CG-CD 4.31Å; D258-K502 VanDerWaalsContact CG-NZ 3.28Å; D258-K502 IonicContact OD1-NZ 2.65Å; D258-K502 PolarHBondContact OD1-NZ 2.8Å; D258-K502 IonicContact OD2-NZ 3.21Å; D258-K502 PolarHBondContact OD2-NZ 2.91Å; L445-K502 HydrophobicContact CD1-CD 4.33Å; T446-K502 PolarHBondContact O-N 2.89Å; I447-K502 WeakPolarHBondContact CA-O 3.46Å; I447-K502 HydrophobicContact CG1-CB 4.5Å; K448-K502 PolarHBondContact N-O 3.39Å; K502-Q523 CarbonylContact C-O 3.45Å; K502-Q523 WeakPolarHBondContact CA-O 3.45Å; K502-Q524 VanDerWaalsContact CE-OE1 3.27Å; K502-Q524 HydrophobicContact CG-CB 4.14Å; K502-Q524 HydrophobicContact CG-CG 4.15Å
503	F	97.6	Very high	95.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.7	175.9	-64.2	-54.9	0	0	0	111.7	K448 F450 L486 W489 L501 T522 Q523 F525 F530	K448-F503 HydrophobicContact CB-CD1 4.18Å; K448-F503 HydrophobicContact CB-CE1 4.27Å; K448-F503 CarbonylContact O-C 3.21Å; K448-F503 VanDerWaalsContact O-CA 3.25Å; K448-F503 WeakPolarHBondContact O-CA 3.23Å; F450-F503 HydrophobicContact CD2-CB 3.99Å; F450-F503 HydrophobicContact CD2-CG 4.3Å; F450-F503 HydrophobicContact CE2-CB 3.66Å; F450-F503 AromaticContact CE2-CD1 3.95Å; F450-F503 HydrophobicContact CE2-CD1 3.95Å; F450-F503 AromaticContact CE2-CD2 3.89Å; F450-F503 HydrophobicContact CE2-CD2 3.89Å; F450-F503 AromaticContact CE2-CG 3.57Å; F450-F503 HydrophobicContact CE2-CG 3.57Å; F450-F503 HydrophobicContact CZ-CD1 4.16Å; F450-F503 HydrophobicContact CZ-CD2 4.25Å; F450-F503 HydrophobicContact CZ-CE1 4.35Å; F450-F503 HydrophobicContact CZ-CE2 4.43Å; F450-F503 HydrophobicContact CZ-CG 4.1Å; F450-F503 HydrophobicContact CZ-CZ 4.46Å; L486-F503 HydrophobicContact CD2-CE1 4.32Å; L486-F503 HydrophobicContact CD2-CZ 4.02Å; W489-F503 HydrophobicContact CE3-CD1 4.43Å; W489-F503 AromaticContact CE3-CE1 3.82Å; W489-F503 HydrophobicContact CE3-CE1 3.82Å; W489-F503 HydrophobicContact CZ3-CE1 4.31Å; L501-F503 HydrophobicContact CD1-CE1 4.06Å; L501-F503 HydrophobicContact CD1-CZ 4.26Å; L501-F503 HydrophobicContact CD2-CE1 3.97Å; L501-F503 HydrophobicContact CD2-CE2 3.98Å; L501-F503 HydrophobicContact CD2-CZ 3.34Å; L501-F503 HydrophobicContact CG-CE1 3.86Å; L501-F503 HydrophobicContact CG-CE2 4.06Å; L501-F503 HydrophobicContact CG-CZ 3.59Å; F503-T522 CarbonylContact O-C 3.35Å; F503-T522 VanDerWaalsContact O-CA 3.23Å; F503-T522 WeakPolarHBondContact O-CA 3.36Å; F503-Q523 PolarHBondContact N-O 2.94Å; F503-Q523 PolarHBondContact O-N 2.72Å; F503-F525 AromaticContact CD2-CD2 3.67Å; F503-F525 HydrophobicContact CD2-CD2 3.67Å; F503-F525 AromaticContact CD2-CE2 3.78Å; F503-F525 HydrophobicContact CD2-CE2 3.78Å; F503-F525 AromaticContact CE2-CD2 3.78Å; F503-F525 HydrophobicContact CE2-CD2 3.78Å; F503-F525 HydrophobicContact CE2-CE2 4.09Å; F503-F530 HydrophobicContact CE2-CD1 4.19Å; F503-F530 HydrophobicContact CE2-CD2 4.31Å; F503-F530 AromaticContact CE2-CE1 3.71Å; F503-F530 HydrophobicContact CE2-CE1 3.71Å; F503-F530 AromaticContact CE2-CE2 3.84Å; F503-F530 HydrophobicContact CE2-CE2 3.84Å; F503-F530 HydrophobicContact CE2-CG 4.48Å; F503-F530 AromaticContact CE2-CZ 3.52Å; F503-F530 HydrophobicContact CE2-CZ 3.52Å; F503-F530 HydrophobicContact CZ-CD1 4.18Å; F503-F530 AromaticContact CZ-CE1 3.6Å; F503-F530 HydrophobicContact CZ-CE1 3.6Å; F503-F530 AromaticContact CZ-CZ 3.81Å; F503-F530 HydrophobicContact CZ-CZ 3.81Å
504	G	97	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141	163.8	0	0	0	0	0	112	F375 K448 A449 F450	F375-G504 VanDerWaalsContact CE1-CA 3.48Å; K448-G504 PolarHBondContact O-N 2.9Å; A449-G504 CarbonylContact C-O 3.49Å; A449-G504 WeakPolarHBondContact CA-O 3.39Å; F450-G504 PolarHBondContact N-O 2.84Å
505	Y	97	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.9	168.8	-69.1	-91.5	0	0	0	109.2	F450 W463 I467 I474 L520 S521 Q523	F450-Y505 HydrophobicContact CB-CD1 4.43Å; F450-Y505 HydrophobicContact CD2-CD1 4.08Å; F450-Y505 AromaticContact CD2-CE1 3.73Å; F450-Y505 HydrophobicContact CD2-CE1 3.73Å; F450-Y505 HydrophobicContact CD2-CE2 4.49Å; F450-Y505 AromaticContact CD2-CZ 3.96Å; F450-Y505 HydrophobicContact CE2-CE1 4.21Å; W463-Y505 HydrophobicContact CD2-CD1 4.47Å; W463-Y505 HydrophobicContact CE3-CD1 4.02Å; W463-Y505 HydrophobicContact CH2-CD1 4.2Å; W463-Y505 AromaticContact CZ3-CD1 3.88Å; W463-Y505 HydrophobicContact CZ3-CD1 3.88Å; W463-Y505 HydrophobicContact CZ3-CG 4.42Å; I467-Y505 VanDerWaalsContact CD1-CB 3.44Å; I467-Y505 HydrophobicContact CD1-CD1 3.93Å; I467-Y505 HydrophobicContact CD1-CD2 3.93Å; I467-Y505 HydrophobicContact CD1-CG 3.49Å; I467-Y505 VanDerWaalsContact CD1-CG 3.49Å; I474-Y505 HydrophobicContact CG2-CD1 4.2Å; I474-Y505 HydrophobicContact CG2-CE1 3.84Å; Y505-L520 PolarHBondContact O-N 3.11Å; Y505-S521 PolarHBondContact N-O 3.35Å; Y505-Q523 HydrophobicContact CE2-CB 3.95Å; Y505-Q523 PolarHBondContact OH-OE1 2.67Å
506	V	96.7	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.4	-177	-177	0	0	0	0	110.2	L268 I371 F375 A449 F450 N451 E452 W463 H517 L518 I519	L268-V506 HydrophobicContact CD2-CG1 4.23Å; I371-V506 HydrophobicContact CD1-CG1 4.44Å; I371-V506 HydrophobicContact CG1-CG1 4.48Å; I371-V506 HydrophobicContact CG2-CB 3.78Å; I371-V506 HydrophobicContact CG2-CG1 3.77Å; I371-V506 HydrophobicContact CG2-CG2 3.87Å; F375-V506 HydrophobicContact CD2-CG2 4.16Å; A449-V506 HydrophobicContact CB-CG2 4.24Å; F450-V506 WeakPolarHBondContact O-CB 3.47Å; F450-V506 PolarHBondContact O-N 2.94Å; N451-V506 CarbonylContact C-O 3.57Å; N451-V506 VanDerWaalsContact CA-O 3.3Å; N451-V506 WeakPolarHBondContact CA-O 3.32Å; E452-V506 PolarHBondContact N-O 3.2Å; W463-V506 WeakPolarHBondContact CZ3-O 3.32Å; V506-H517 HydrophobicContact CG1-CB 3.56Å; V506-L518 WeakPolarHBondContact CA-O 3.23Å; V506-I519 HydrophobicContact CG2-CG1 4.36Å
507	S	95.3	Very high	95	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.8	179.4	178	0	0	0	0	110.7	E452 R464 H517 L518	E452-S507 VanDerWaalsContact OE2-CB 3.29Å; E452-S507 WeakPolarHBondContact OE2-CB 3.44Å; E452-S507 PolarHBondContact OE2-OG 3.17Å; R464-S507 PolarHBondContact NH1-OG 3.18Å; S507-H517 CarbonylContact O-C 3.19Å; S507-H517 WeakPolarHBondContact O-CA 3.49Å; S507-L518 PolarHBondContact N-O 3.45Å; S507-L518 PolarHBondContact O-N 3.19Å
508	R	95.6	Very high	95	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.011	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	144.5	170.1	-68.6	-178.5	-178.9	173	-1	110.3	I358 N359 E367 E452 R464 H510 S511 D513	I358-R508 PolarHBondContact O-NH2 2.79Å; N359-R508 PolarHBondContact OD1-NH1 3.35Å; N359-R508 PolarHBondContact OD1-NH2 3.3Å; E367-R508 WeakPolarHBondContact OE1-CG 3.4Å; E367-R508 IonicContact OE1-CZ 2.81Å; E367-R508 IonicContact OE1-NE 3.16Å; E367-R508 PolarHBondContact OE1-NE 3.06Å; E367-R508 IonicContact OE1-NH2 2.96Å; E367-R508 IonicContact OE2-CZ 3.59Å; E367-R508 IonicContact OE2-NE 2.77Å; E367-R508 PolarHBondContact OE2-NE 2.87Å; E367-R508 IonicContact OE2-NH2 3.58Å; E367-R508 PolarHBondContact OE2-NH2 3.37Å; E452-R508 PolarHBondContact O-N 2.58Å; R464-R508 PolarHBondContact NH1-O 2.83Å; R464-R508 PolarHBondContact NH2-O 2.72Å; R508-H510 WeakPolarHBondContact CB-O 3.37Å; R508-S511 PolarHBondContact NH1-O 3.13Å; R508-D513 WeakPolarHBondContact CD-O 3.39Å
509	I	93.2	Very high	95	Very high	62 Å²	62	41.8 Å²	41.8	32%	0.318	20%	0.204	S	C	.	.	S	Bend	trans	-61.8	-51.6	174.2	-60	-173.4	0	0	0	110	K516 L518	I509-K516 HydrophobicContact CB-CB 4.49Å; I509-K516 HydrophobicContact CD1-CB 3.56Å; I509-K516 HydrophobicContact CD1-CD 4.18Å; I509-K516 HydrophobicContact CD1-CG 4.46Å; I509-K516 HydrophobicContact CG1-CB 3.9Å; I509-K516 PolarHBondContact N-O 3.39Å; I509-L518 HydrophobicContact CB-CD1 4.47Å; I509-L518 HydrophobicContact CD1-CD1 4.45Å; I509-L518 HydrophobicContact CD1-CG 4.37Å; I509-L518 HydrophobicContact CG1-CD1 3.79Å; I509-L518 HydrophobicContact CG1-CG 3.86Å
510	H	92.7	Very high	95	Very high	127 Å²	127	38.4 Å²	38.4	59%	0.588	19%	0.186	S	C	*	.	S	Bend	trans	-120.2	137.2	172.6	-62.3	97.4	0	0	0	108.3	R508 R512 D513	R508-H510 WeakPolarHBondContact CB-O 3.37Å; H510-R512 PolarHBondContact O-N 3.32Å; H510-D513 HydrophobicContact CB-CB 4.27Å; H510-D513 PolarHBondContact O-N 2.79Å; H510-D513 VanDerWaalsContact O-O 3.14Å
511	S	89.7	Confident	94.9	Very high	54 Å²	54	36.1 Å²	36.1	38%	0.378	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.2	-177.8	53.4	0	0	0	0	113.9	R508	R508-S511 PolarHBondContact NH1-O 3.13Å
512	R	91.3	Very high	94.8	Very high	219 Å²	219	36.5 Å²	36.5	83%	0.826	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4	177.6	-62.2	-176.6	178.6	175.4	0.6	114.4	I358 H510	I358-R512 WeakPolarHBondContact CD1-O 3.04Å; H510-R512 PolarHBondContact O-N 3.32Å
513	D	91.8	Very high	94.7	Very high	49 Å²	49	38.3 Å²	38.3	26%	0.262	19%	0.188	S	C	.	.			trans	-123.2	109	-177.7	-179.2	10.7	0	0	0	110.1	R508 H510 S515	R508-D513 WeakPolarHBondContact CD-O 3.39Å; H510-D513 HydrophobicContact CB-CB 4.27Å; H510-D513 PolarHBondContact O-N 2.79Å; H510-D513 VanDerWaalsContact O-O 3.14Å; D513-S515 VanDerWaalsContact C-N 3.31Å; D513-S515 VanDerWaalsContact OD1-CB 3.24Å; D513-S515 WeakPolarHBondContact OD1-CB 3.42Å; D513-S515 PolarHBondContact OD1-N 2.84Å; D513-S515 PolarHBondContact OD1-OG 3.07Å; D513-S515 PolarHBondContact OD2-OG 3.09Å
514	S	92.8	Very high	94.6	Very high	46 Å²	46	41.4 Å²	41.4	32%	0.322	20%	0.202	S	C	.	.	S	Bend	trans	-85.2	0.6	177.6	57.3	0	0	0	0	113.5	H517	S514-H517 PolarHBondContact O-CE1 3.47Å; S514-H517 PolarHBondContact O-NE2 3.4Å
515	S	91.9	Very high	94.6	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	21%	0.207	S	C	.	.	S	Bend	trans	-88.5	-19	-172.7	74.1	0	0	0	0	114.6	R270 D513	R270-S515 PolarHBondContact NH2-O 3.44Å; R270-S515 VanDerWaalsContact NH2-O 3.12Å; D513-S515 VanDerWaalsContact C-N 3.31Å; D513-S515 VanDerWaalsContact OD1-CB 3.24Å; D513-S515 WeakPolarHBondContact OD1-CB 3.42Å; D513-S515 PolarHBondContact OD1-N 2.84Å; D513-S515 PolarHBondContact OD1-OG 3.07Å; D513-S515 PolarHBondContact OD2-OG 3.09Å
516	K	94.4	Very high	94.7	Very high	123 Å²	123	46.7 Å²	46.7	54%	0.535	23%	0.225	S	C	.	.			trans	-132.8	133	-174.6	-60.5	177.6	-174.3	174.3	0	111.8	I509	I509-K516 HydrophobicContact CB-CB 4.49Å; I509-K516 HydrophobicContact CD1-CB 3.56Å; I509-K516 HydrophobicContact CD1-CD 4.18Å; I509-K516 HydrophobicContact CD1-CG 4.46Å; I509-K516 HydrophobicContact CG1-CB 3.9Å; I509-K516 PolarHBondContact N-O 3.39Å
517	H	96.8	Very high	94.7	Very high	7 Å²	7	47 Å²	47	3%	0.032	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.3	-177.1	-49.4	86	0	0	0	112.6	L268 E367 V506 S507 S514	L268-H517 HydrophobicContact CB-CB 3.96Å; L268-H517 HydrophobicContact CD2-CB 4.05Å; L268-H517 PolarHBondContact N-O 2.94Å; E367-H517 IonicContact OE1-CD2 2.77Å; E367-H517 IonicContact OE1-CE1 3.58Å; E367-H517 IonicContact OE1-NE2 3.44Å; E367-H517 PolarHBondContact OE1-NE2 3.49Å; V506-H517 HydrophobicContact CG1-CB 3.56Å; S507-H517 CarbonylContact O-C 3.19Å; S507-H517 WeakPolarHBondContact O-CA 3.49Å; S514-H517 PolarHBondContact O-CE1 3.47Å; S514-H517 PolarHBondContact O-NE2 3.4Å
518	L	95.9	Very high	94.7	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	177.5	-73.1	160.5	0	0	0	110	Q265 P267 V506 S507 I509 L520	Q265-L518 HydrophobicContact CB-CD2 4.5Å; Q265-L518 HydrophobicContact CG-CD2 4.08Å; P267-L518 HydrophobicContact CB-CD2 4.45Å; V506-L518 WeakPolarHBondContact CA-O 3.23Å; S507-L518 PolarHBondContact N-O 3.45Å; S507-L518 PolarHBondContact O-N 3.19Å; I509-L518 HydrophobicContact CB-CD1 4.47Å; I509-L518 HydrophobicContact CD1-CD1 4.45Å; I509-L518 HydrophobicContact CD1-CG 4.37Å; I509-L518 HydrophobicContact CG1-CD1 3.79Å; I509-L518 HydrophobicContact CG1-CG 3.86Å; L518-L520 HydrophobicContact CB-CD2 4.36Å
519	I	97.1	Very high	94.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.7	169.6	-54.4	171.4	0	0	0	107.4	Y257 I260 Q265 V266 L268 F375 V506	Y257-I519 HydrophobicContact CE1-CD1 4.12Å; I260-I519 HydrophobicContact CD1-CG2 4.09Å; Q265-I519 WeakPolarHBondContact CA-O 3.49Å; V266-I519 PolarHBondContact N-O 2.95Å; V266-I519 PolarHBondContact O-N 3.45Å; L268-I519 HydrophobicContact CB-CG1 4.49Å; L268-I519 HydrophobicContact CD1-CD1 4.04Å; L268-I519 HydrophobicContact CD1-CG1 4.1Å; F375-I519 HydrophobicContact CD2-CD1 3.95Å; F375-I519 HydrophobicContact CD2-CG1 4.21Å; F375-I519 HydrophobicContact CE2-CD1 4.15Å; F375-I519 HydrophobicContact CE2-CG1 4.43Å; F375-I519 HydrophobicContact CE2-CG2 4.02Å; V506-I519 HydrophobicContact CG2-CG1 4.36Å
520	L	95.4	Very high	94.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-35.7	-175.9	-60	-177.3	0	0	0	112.9	T261 Q265 W463 R464 I467 Y505 L518	T261-L520 CarbonylContact C-O 3.4Å; Q265-L520 HydrophobicContact CB-CD2 4.44Å; W463-L520 HydrophobicContact CB-CD1 3.69Å; W463-L520 HydrophobicContact CE3-CD1 4.32Å; R464-L520 HydrophobicContact CG-CD1 4.02Å; R464-L520 HydrophobicContact CG-CD2 4.01Å; I467-L520 HydrophobicContact CD1-CB 4.05Å; Y505-L520 PolarHBondContact O-N 3.11Å; L518-L520 HydrophobicContact CB-CD2 4.36Å
521	S	95.7	Very high	95.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	166.5	178.2	-156.9	0	0	0	0	110.8	I260 R471 Y505	I260-S521 PolarHBondContact O-OG 2.79Å; R471-S521 PolarHBondContact NH2-OG 3.01Å; Y505-S521 PolarHBondContact N-O 3.35Å
522	T	96.1	Very high	95.4	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	169	65.7	0	0	0	0	110.4	Y257 D258 F375 F503	Y257-T522 PolarHBondContact O-OG1 2.81Å; D258-T522 WeakPolarHBondContact CA-OG1 3.36Å; D258-T522 PolarHBondContact OD1-OG1 3.4Å; D258-T522 VanDerWaalsContact OD1-OG1 3.13Å; F375-T522 HydrophobicContact CE2-CG2 4.41Å; F375-T522 HydrophobicContact CZ-CG2 4.06Å; F503-T522 CarbonylContact O-C 3.35Å; F503-T522 VanDerWaalsContact O-CA 3.23Å; F503-T522 WeakPolarHBondContact O-CA 3.36Å
523	Q	94.9	Very high	95.5	Very high	41 Å²	41	43.4 Å²	43.4	19%	0.192	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.8	174.8	-168.7	168.5	7.3	0	0	110.6	K502 F503 Y505 F525	K502-Q523 CarbonylContact C-O 3.45Å; K502-Q523 WeakPolarHBondContact CA-O 3.45Å; F503-Q523 PolarHBondContact N-O 2.94Å; F503-Q523 PolarHBondContact O-N 2.72Å; Y505-Q523 HydrophobicContact CE2-CB 3.95Å; Y505-Q523 PolarHBondContact OH-OE1 2.67Å; Q523-F525 HydrophobicContact CB-CE2 4.16Å; Q523-F525 HydrophobicContact CG-CD2 4.17Å; Q523-F525 HydrophobicContact CG-CE2 3.45Å; Q523-F525 VanDerWaalsContact CG-CE2 3.45Å; Q523-F525 HydrophobicContact CG-CZ 3.76Å
524	Q	96.1	Very high	95.7	Very high	65 Å²	65	41.4 Å²	41.4	30%	0.304	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.1	-178.8	-179.8	176	-38.4	0	0	110.3	Y500 K502	Y500-Q524 HydrophobicContact CD1-CG 3.68Å; Y500-Q524 HydrophobicContact CE1-CG 4.36Å; Y500-Q524 HydrophobicContact CG-CG 3.92Å; Y500-Q524 VanDerWaalsContact CZ-NE2 3.28Å; K502-Q524 VanDerWaalsContact CE-OE1 3.27Å; K502-Q524 HydrophobicContact CG-CB 4.14Å; K502-Q524 HydrophobicContact CG-CG 4.15Å
525	F	97.1	Very high	95.8	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.088	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.8	174.4	-64.9	-85.2	0	0	0	110.6	L475 Y500 L501 F503 Q523 F530	L475-F525 HydrophobicContact CD2-CE1 4.44Å; L475-F525 HydrophobicContact CD2-CE2 4.36Å; L475-F525 HydrophobicContact CD2-CZ 3.65Å; Y500-F525 WeakPolarHBondContact CA-O 3.46Å; L501-F525 PolarHBondContact N-O 3.16Å; L501-F525 PolarHBondContact O-N 2.96Å; F503-F525 AromaticContact CD2-CD2 3.67Å; F503-F525 HydrophobicContact CD2-CD2 3.67Å; F503-F525 AromaticContact CD2-CE2 3.78Å; F503-F525 HydrophobicContact CD2-CE2 3.78Å; F503-F525 AromaticContact CE2-CD2 3.78Å; F503-F525 HydrophobicContact CE2-CD2 3.78Å; F503-F525 HydrophobicContact CE2-CE2 4.09Å; Q523-F525 HydrophobicContact CB-CE2 4.16Å; Q523-F525 HydrophobicContact CG-CD2 4.17Å; Q523-F525 HydrophobicContact CG-CE2 3.45Å; Q523-F525 VanDerWaalsContact CG-CE2 3.45Å; Q523-F525 HydrophobicContact CG-CZ 3.76Å; F525-F530 HydrophobicContact CB-CB 3.97Å; F525-F530 HydrophobicContact CB-CD2 4.24Å; F525-F530 HydrophobicContact CB-CG 4.3Å; F525-F530 AromaticContact CD1-CD2 3.87Å; F525-F530 HydrophobicContact CD1-CD2 3.87Å; F525-F530 AromaticContact CD2-CD2 3.98Å; F525-F530 HydrophobicContact CD2-CD2 3.98Å; F525-F530 HydrophobicContact CD2-CE2 4.26Å; F525-F530 HydrophobicContact CE1-CD2 4.12Å; F525-F530 HydrophobicContact CE2-CD2 4.23Å; F525-F530 HydrophobicContact CE2-CE2 4.15Å; F525-F530 HydrophobicContact CG-CB 4.4Å; F525-F530 AromaticContact CG-CD2 3.77Å; F525-F530 HydrophobicContact CG-CD2 3.77Å; F525-F530 HydrophobicContact CG-CE2 4.48Å; F525-F530 HydrophobicContact CG-CG 4.33Å; F525-F530 HydrophobicContact CZ-CD2 4.27Å; F525-F530 HydrophobicContact CZ-CE2 4.26Å
526	K	97.5	Very high	96	Very high	91 Å²	91	44.7 Å²	44.7	40%	0.396	23%	0.229	S	C	.	.			trans	-79	136.1	159.9	-66	-171.7	-171.2	166.2	0	109.1	Y500 T528 E529 F530	Y500-K526 HydrophobicContact CD1-CG 4Å; Y500-K526 HydrophobicContact CE1-CG 3.76Å; K526-T528 VanDerWaalsContact C-N 3.31Å; K526-T528 PolarHBondContact O-N 2.89Å; K526-E529 HydrophobicContact CB-CB 4.25Å; K526-E529 HydrophobicContact CB-CG 4.08Å; K526-E529 WeakPolarHBondContact CD-OE1 3.47Å; K526-E529 IonicContact NZ-OE1 3.32Å; K526-E529 PolarHBondContact O-N 2.65Å; K526-F530 WeakPolarHBondContact O-CB 3.29Å; K526-F530 PolarHBondContact O-N 2.96Å
527	P	97.3	Very high	96	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-38.3	-176.7	-28.7	36.9	0	0	0	114.3	A493 L494 S498 D499 L501 F530 A531	A493-P527 HydrophobicContact CB-CB 4.05Å; A493-P527 HydrophobicContact CB-CG 3.84Å; L494-P527 HydrophobicContact CD2-CB 3.68Å; L494-P527 HydrophobicContact CG-CB 3.9Å; S498-P527 WeakPolarHBondContact O-CG 3.45Å; D499-P527 WeakPolarHBondContact O-CD 3.29Å; L501-P527 HydrophobicContact CB-CG 4.23Å; P527-F530 PolarHBondContact O-N 3.34Å; P527-A531 WeakPolarHBondContact O-CB 3.38Å; P527-A531 PolarHBondContact O-N 3.12Å
528	T	95.7	Very high	95.9	Very high	88 Å²	88	44.1 Å²	44.1	54%	0.54	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-41.4	178.9	50.7	0	0	0	0	113	L494 K526 S532	L494-T528 HydrophobicContact CD2-CG2 3.72Å; K526-T528 VanDerWaalsContact C-N 3.31Å; K526-T528 PolarHBondContact O-N 2.89Å; T528-S532 PolarHBondContact O-N 3.36Å; T528-S532 PolarHBondContact O-OG 2.59Å; T528-S532 VanDerWaalsContact O-OG 3.09Å
529	E	96.7	Very high	95.9	Very high	96 Å²	96	46 Å²	46	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-66.9	-41.9	174.5	-65.5	176.2	-171.8	0	0	110.7	K526 S532 Q533	K526-E529 HydrophobicContact CB-CB 4.25Å; K526-E529 HydrophobicContact CB-CG 4.08Å; K526-E529 WeakPolarHBondContact CD-OE1 3.47Å; K526-E529 IonicContact NZ-OE1 3.32Å; K526-E529 PolarHBondContact O-N 2.65Å; E529-S532 WeakPolarHBondContact O-CB 3.39Å; E529-S532 PolarHBondContact O-N 3.11Å; E529-Q533 WeakPolarHBondContact O-CG 3.49Å; E529-Q533 PolarHBondContact O-N 2.73Å; E529-Q533 VanDerWaalsContact O-N 3.13Å
530	F	96.8	Very high	95.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-40.3	179.3	-167.4	-111.8	0	0	0	112.4	L475 L486 T490 L501 F503 F525 K526 P527 S532 Q533 I534	L475-F530 HydrophobicContact CD1-CE2 4.3Å; L475-F530 HydrophobicContact CD1-CZ 4.46Å; L475-F530 HydrophobicContact CD2-CE2 4.38Å; L486-F530 HydrophobicContact CD2-CE1 4.02Å; L486-F530 HydrophobicContact CD2-CZ 3.91Å; T490-F530 HydrophobicContact CG2-CD1 3.99Å; T490-F530 VanDerWaalsContact OG1-CD1 3.22Å; T490-F530 WeakPolarHBondContact OG1-CD1 3.35Å; T490-F530 WeakPolarHBondContact OG1-CE1 3.43Å; L501-F530 HydrophobicContact CD2-CD1 3.92Å; L501-F530 HydrophobicContact CD2-CE1 4.37Å; F503-F530 HydrophobicContact CE2-CD1 4.19Å; F503-F530 HydrophobicContact CE2-CD2 4.31Å; F503-F530 AromaticContact CE2-CE1 3.71Å; F503-F530 HydrophobicContact CE2-CE1 3.71Å; F503-F530 AromaticContact CE2-CE2 3.84Å; F503-F530 HydrophobicContact CE2-CE2 3.84Å; F503-F530 HydrophobicContact CE2-CG 4.48Å; F503-F530 AromaticContact CE2-CZ 3.52Å; F503-F530 HydrophobicContact CE2-CZ 3.52Å; F503-F530 HydrophobicContact CZ-CD1 4.18Å; F503-F530 AromaticContact CZ-CE1 3.6Å; F503-F530 HydrophobicContact CZ-CE1 3.6Å; F503-F530 AromaticContact CZ-CZ 3.81Å; F503-F530 HydrophobicContact CZ-CZ 3.81Å; F525-F530 HydrophobicContact CB-CB 3.97Å; F525-F530 HydrophobicContact CB-CD2 4.24Å; F525-F530 HydrophobicContact CB-CG 4.3Å; F525-F530 AromaticContact CD1-CD2 3.87Å; F525-F530 HydrophobicContact CD1-CD2 3.87Å; F525-F530 AromaticContact CD2-CD2 3.98Å; F525-F530 HydrophobicContact CD2-CD2 3.98Å; F525-F530 HydrophobicContact CD2-CE2 4.26Å; F525-F530 HydrophobicContact CE1-CD2 4.12Å; F525-F530 HydrophobicContact CE2-CD2 4.23Å; F525-F530 HydrophobicContact CE2-CE2 4.15Å; F525-F530 HydrophobicContact CG-CB 4.4Å; F525-F530 AromaticContact CG-CD2 3.77Å; F525-F530 HydrophobicContact CG-CD2 3.77Å; F525-F530 HydrophobicContact CG-CE2 4.48Å; F525-F530 HydrophobicContact CG-CG 4.33Å; F525-F530 HydrophobicContact CZ-CD2 4.27Å; F525-F530 HydrophobicContact CZ-CE2 4.26Å; K526-F530 WeakPolarHBondContact O-CB 3.29Å; K526-F530 PolarHBondContact O-N 2.96Å; P527-F530 PolarHBondContact O-N 3.34Å; F530-S532 PolarHBondContact O-N 2.97Å; F530-Q533 WeakPolarHBondContact O-CB 3.42Å; F530-Q533 PolarHBondContact O-N 3.48Å; F530-I534 HydrophobicContact CD1-CG2 4.21Å; F530-I534 HydrophobicContact CE1-CD1 4.44Å; F530-I534 HydrophobicContact CE1-CG2 3.73Å; F530-I534 HydrophobicContact CE2-CG2 4.06Å; F530-I534 HydrophobicContact CZ-CG2 3.64Å; F530-I534 WeakPolarHBondContact O-CG1 3.47Å; F530-I534 PolarHBondContact O-N 3.22Å
531	A	96.7	Very high	95.9	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-54.2	-42.7	173.6	0	0	0	0	0	111.7	T490 L494 P527 I534 N535 L536	T490-A531 HydrophobicContact CG2-CB 3.86Å; L494-A531 HydrophobicContact CD1-CB 4.04Å; P527-A531 WeakPolarHBondContact O-CB 3.38Å; P527-A531 PolarHBondContact O-N 3.12Å; A531-I534 WeakPolarHBondContact O-CG1 3.3Å; A531-I534 PolarHBondContact O-N 3.07Å; A531-N535 PolarHBondContact O-N 3.25Å; A531-L536 HydrophobicContact CB-CB 4.34Å; A531-L536 HydrophobicContact CB-CD2 4.3Å; A531-L536 PolarHBondContact O-N 3.28Å
532	S	95.5	Very high	95.9	Very high	95 Å²	95	47.9 Å²	47.9	66%	0.664	25%	0.251	S	S	*	.	H	α-helix	trans	-64.6	-41.8	175.9	-56	0	0	0	0	112	T528 E529 F530 I534 N535	T528-S532 PolarHBondContact O-N 3.36Å; T528-S532 PolarHBondContact O-OG 2.59Å; T528-S532 VanDerWaalsContact O-OG 3.09Å; E529-S532 WeakPolarHBondContact O-CB 3.39Å; E529-S532 PolarHBondContact O-N 3.11Å; F530-S532 PolarHBondContact O-N 2.97Å; S532-I534 VanDerWaalsContact C-N 3.34Å; S532-I534 PolarHBondContact O-N 3.13Å; S532-N535 PolarHBondContact O-N 3.04Å
533	Q	94.3	Very high	95.9	Very high	106 Å²	106	47.9 Å²	47.9	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-64.2	-35.6	177.4	-69.2	178.9	18.8	0	0	113	E529 F530 N535	E529-Q533 WeakPolarHBondContact O-CG 3.49Å; E529-Q533 PolarHBondContact O-N 2.73Å; E529-Q533 VanDerWaalsContact O-N 3.13Å; F530-Q533 WeakPolarHBondContact O-CB 3.42Å; F530-Q533 PolarHBondContact O-N 3.48Å; Q533-N535 VanDerWaalsContact C-N 3.31Å
534	I	95.7	Very high	96	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.036	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	9	179.6	70.1	166.1	0	0	0	113.5	R312 L479 A487 T490 F530 A531 S532 L536	R312-I534 PolarHBondContact NH1-O 3.32Å; R312-I534 VanDerWaalsContact NH1-O 3.13Å; R312-I534 PolarHBondContact NH2-O 3.45Å; L479-I534 HydrophobicContact CD1-CB 3.68Å; L479-I534 HydrophobicContact CD1-CG2 3.56Å; L479-I534 HydrophobicContact CD2-CB 4.48Å; L479-I534 HydrophobicContact CD2-CG2 4.26Å; A487-I534 HydrophobicContact CB-CD1 4.42Å; T490-I534 HydrophobicContact CG2-CD1 4.22Å; T490-I534 WeakPolarHBondContact OG1-CD1 3.42Å; F530-I534 HydrophobicContact CD1-CG2 4.21Å; F530-I534 HydrophobicContact CE1-CD1 4.44Å; F530-I534 HydrophobicContact CE1-CG2 3.73Å; F530-I534 HydrophobicContact CE2-CG2 4.06Å; F530-I534 HydrophobicContact CZ-CG2 3.64Å; F530-I534 WeakPolarHBondContact O-CG1 3.47Å; F530-I534 PolarHBondContact O-N 3.22Å; A531-I534 WeakPolarHBondContact O-CG1 3.3Å; A531-I534 PolarHBondContact O-N 3.07Å; S532-I534 VanDerWaalsContact C-N 3.34Å; S532-I534 PolarHBondContact O-N 3.13Å; I534-L536 VanDerWaalsContact C-N 3.26Å; I534-L536 HydrophobicContact CD1-CB 3.9Å; I534-L536 HydrophobicContact CD1-CD2 4.23Å; I534-L536 HydrophobicContact CG1-CB 3.75Å; I534-L536 PolarHBondContact O-N 3.27Å
535	N	95	Very high	96	Very high	141 Å²	141	42.8 Å²	42.8	75%	0.754	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	40.1	-176.7	-167.6	40.5	0	0	0	113.2	R312 A531 S532 Q533	R312-N535 PolarHBondContact NH2-O 3.33Å; A531-N535 PolarHBondContact O-N 3.25Å; S532-N535 PolarHBondContact O-N 3.04Å; Q533-N535 VanDerWaalsContact C-N 3.31Å
536	L	95	Very high	96	Very high	21 Å²	21	43 Å²	43	11%	0.11	23%	0.228	C	C	.	.			trans	-92.1	113.5	174.7	176.6	68.8	0	0	0	108.7	T490 V491 A531 I534 M538	T490-L536 HydrophobicContact CG2-CD2 4.09Å; V491-L536 HydrophobicContact CG2-CD1 4.37Å; V491-L536 HydrophobicContact CG2-CD2 3.62Å; A531-L536 HydrophobicContact CB-CB 4.34Å; A531-L536 HydrophobicContact CB-CD2 4.3Å; A531-L536 PolarHBondContact O-N 3.28Å; I534-L536 VanDerWaalsContact C-N 3.26Å; I534-L536 HydrophobicContact CD1-CB 3.9Å; I534-L536 HydrophobicContact CD1-CD2 4.23Å; I534-L536 HydrophobicContact CG1-CB 3.75Å; I534-L536 PolarHBondContact O-N 3.27Å; L536-M538 HydrophobicContact CD2-SD 4.24Å; L536-M538 HydrophobicContact CG-SD 4.47Å
537	N	94.5	Very high	95.9	Very high	77 Å²	77	40.2 Å²	40.2	41%	0.412	22%	0.221	S	C	.	.			trans	-93.9	114.7	174.8	-175.7	-2.9	0	0	0	109.8	D539 N540 A541	N537-D539 VanDerWaalsContact C-N 3.3Å; N537-D539 PolarHBondContact O-N 3.16Å; N537-D539 PolarHBondContact OD1-N 3.04Å; N537-N540 HydrophobicContact CB-CB 4.1Å; N537-N540 PolarHBondContact O-N 2.99Å; N537-A541 PolarHBondContact O-N 3.49Å; N537-A541 VanDerWaalsContact O-N 3.07Å
538	M	94.3	Very high	95.8	Very high	41 Å²	41	40 Å²	40	20%	0.202	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-31.8	178.7	-70.9	-55.1	-64.3	0	0	112.7	M308 V491 L494 L536 N540 A541 W542	M308-M538 HydrophobicContact SD-CE 4.44Å; V491-M538 HydrophobicContact CG2-SD 4.35Å; L494-M538 HydrophobicContact CD1-CE 4.24Å; L494-M538 HydrophobicContact CD1-CG 3.93Å; L494-M538 HydrophobicContact CD1-SD 3.49Å; L494-M538 WeakPolarHBondContact CD1-SD 3.35Å; L536-M538 HydrophobicContact CD2-SD 4.24Å; L536-M538 HydrophobicContact CG-SD 4.47Å; M538-N540 VanDerWaalsContact C-N 3.28Å; M538-N540 PolarHBondContact O-N 3.38Å; M538-A541 WeakPolarHBondContact O-CB 3.36Å; M538-A541 PolarHBondContact O-N 2.88Å; M538-W542 PolarHBondContact O-N 3.48Å
539	D	95.6	Very high	95.9	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	19%	0.194	S	C	.	.	H	α-helix	trans	-67.6	-34	177.9	-50.6	-31.7	0	0	0	111.2	N232 L233 N537 G543	N232-D539 WeakPolarHBondContact OD1-CB 3.47Å; L233-D539 PolarHBondContact N-O 3.36Å; N537-D539 VanDerWaalsContact C-N 3.3Å; N537-D539 PolarHBondContact O-N 3.16Å; N537-D539 PolarHBondContact OD1-N 3.04Å; D539-G543 PolarHBondContact O-N 3.42Å
540	N	96.1	Very high	95.8	Very high	26 Å²	26	33.7 Å²	33.7	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-68.7	-44.7	172.1	176.1	-113.4	0	0	0	111.2	L228 Q229 L231 N537 M538 W542 G543 I544	L228-N540 PolarHBondContact O-ND2 2.97Å; Q229-N540 PolarHBondContact O-ND2 2.81Å; L231-N540 WeakPolarHBondContact O-CA 3.33Å; L231-N540 PolarHBondContact O-ND2 3.49Å; N537-N540 HydrophobicContact CB-CB 4.1Å; N537-N540 PolarHBondContact O-N 2.99Å; M538-N540 VanDerWaalsContact C-N 3.28Å; M538-N540 PolarHBondContact O-N 3.38Å; N540-W542 VanDerWaalsContact C-N 3.34Å; N540-W542 PolarHBondContact O-N 3.05Å; N540-G543 PolarHBondContact O-N 3.46Å; N540-G543 VanDerWaalsContact O-N 3.16Å; N540-I544 VanDerWaalsContact O-CG1 3.31Å; N540-I544 WeakPolarHBondContact O-CG1 3.31Å; N540-I544 PolarHBondContact O-N 3.37Å; N540-I544 WeakPolarHBondContact OD1-CD1 3.47Å
541	A	96.3	Very high	95.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-47	176.9	0	0	0	0	0	112.1	M308 N537 M538 I544 L545	M308-A541 HydrophobicContact CB-CB 3.89Å; M308-A541 HydrophobicContact CG-CB 4.03Å; M308-A541 HydrophobicContact SD-CB 4.07Å; N537-A541 PolarHBondContact O-N 3.49Å; N537-A541 VanDerWaalsContact O-N 3.07Å; M538-A541 WeakPolarHBondContact O-CB 3.36Å; M538-A541 PolarHBondContact O-N 2.88Å; A541-I544 PolarHBondContact O-N 3Å; A541-L545 PolarHBondContact O-N 3.2Å; A541-L545 VanDerWaalsContact O-N 3.1Å
542	W	96.9	Very high	95.7	Very high	13 Å²	13	36.2 Å²	36.2	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-40	174.7	-75.7	120.1	0	0	0	112.7	L233 M236 M308 W417 L419 L425 L495 M538 N540 I544 L545 R546	L233-W542 HydrophobicContact CB-CB 4.11Å; L233-W542 HydrophobicContact CD2-CB 4.26Å; M236-W542 HydrophobicContact CB-CG 4.38Å; M236-W542 HydrophobicContact CE-CD2 3.93Å; M236-W542 HydrophobicContact CE-CE3 3.98Å; M236-W542 HydrophobicContact CE-CH2 4.2Å; M236-W542 HydrophobicContact CE-CZ2 4.13Å; M236-W542 HydrophobicContact CE-CZ3 4.12Å; M236-W542 HydrophobicContact CG-CB 4.11Å; M236-W542 HydrophobicContact CG-CD2 4.15Å; M236-W542 HydrophobicContact CG-CG 3.77Å; M308-W542 HydrophobicContact CE-CD2 3.63Å; M308-W542 HydrophobicContact CE-CE3 3.42Å; M308-W542 VanDerWaalsContact CE-CE3 3.42Å; M308-W542 HydrophobicContact CE-CG 4.45Å; M308-W542 HydrophobicContact CE-CH2 3.62Å; M308-W542 HydrophobicContact CE-CZ2 3.82Å; M308-W542 HydrophobicContact CE-CZ3 3.42Å; M308-W542 VanDerWaalsContact CE-CZ3 3.42Å; W417-W542 HydrophobicContact CB-CH2 4.25Å; W417-W542 AromaticContact CD1-CH2 3.76Å; W417-W542 AromaticContact CD1-CZ2 3.75Å; W417-W542 AromaticContact CD2-CH2 3.93Å; W417-W542 HydrophobicContact CD2-CH2 3.93Å; W417-W542 HydrophobicContact CD2-CZ2 4.42Å; W417-W542 AromaticContact CG-CH2 3.73Å; W417-W542 HydrophobicContact CG-CH2 3.73Å; W417-W542 HydrophobicContact CG-CZ2 4.19Å; W417-W542 AromaticContact NE1-CH2 3.92Å; W417-W542 AromaticContact NE1-CZ2 3.66Å; L419-W542 HydrophobicContact CD2-CE3 3.77Å; L419-W542 HydrophobicContact CD2-CH2 4.44Å; L419-W542 HydrophobicContact CD2-CZ3 3.61Å; L425-W542 HydrophobicContact CD2-CH2 4.17Å; L425-W542 HydrophobicContact CD2-CZ3 3.75Å; L495-W542 HydrophobicContact CD2-CH2 4.01Å; L495-W542 HydrophobicContact CD2-CZ2 3.94Å; M538-W542 PolarHBondContact O-N 3.48Å; N540-W542 VanDerWaalsContact C-N 3.34Å; N540-W542 PolarHBondContact O-N 3.05Å; W542-I544 VanDerWaalsContact C-N 3.35Å; W542-I544 PolarHBondContact O-N 3.17Å; W542-L545 HydrophobicContact CE3-CD2 3.96Å; W542-L545 HydrophobicContact CZ3-CD2 3.76Å; W542-L545 PolarHBondContact O-N 3.2Å; W542-R546 VanDerWaalsContact O-CB 3.29Å; W542-R546 WeakPolarHBondContact O-CB 3.47Å; W542-R546 PolarHBondContact O-N 3.12Å
543	G	96.3	Very high	95.6	Very high	7 Å²	7	33.9 Å²	33.9	7%	0.072	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-41.1	175.6	0	0	0	0	0	113.2	D539 N540 C547	D539-G543 PolarHBondContact O-N 3.42Å; N540-G543 PolarHBondContact O-N 3.46Å; N540-G543 VanDerWaalsContact O-N 3.16Å; G543-C547 WeakPolarHBondContact O-CB 3.36Å; G543-C547 PolarHBondContact O-N 3.49Å
544	I	96.9	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-51.4	175.4	-67.4	168.2	0	0	0	110.5	L228 L231 L307 T311 N540 A541 W542 R546 C547 I548	L228-I544 HydrophobicContact CB-CD1 4.35Å; L228-I544 HydrophobicContact CB-CG1 4.12Å; L228-I544 WeakPolarHBondContact O-CG1 3.34Å; L231-I544 HydrophobicContact CD1-CG1 4.29Å; L307-I544 WeakPolarHBondContact O-CG2 3.25Å; T311-I544 HydrophobicContact CG2-CD1 3.69Å; N540-I544 VanDerWaalsContact O-CG1 3.31Å; N540-I544 WeakPolarHBondContact O-CG1 3.31Å; N540-I544 PolarHBondContact O-N 3.37Å; N540-I544 WeakPolarHBondContact OD1-CD1 3.47Å; A541-I544 PolarHBondContact O-N 3Å; W542-I544 VanDerWaalsContact C-N 3.35Å; W542-I544 PolarHBondContact O-N 3.17Å; I544-R546 VanDerWaalsContact C-N 3.3Å; I544-R546 PolarHBondContact O-N 3.04Å; I544-C547 PolarHBondContact O-N 3.23Å; I544-I548 HydrophobicContact CG2-CD1 4.05Å; I544-I548 WeakPolarHBondContact O-CG1 3.18Å; I544-I548 PolarHBondContact O-N 3.24Å; I544-I548 VanDerWaalsContact O-N 3.13Å
545	L	96.7	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-45.4	-179.9	179.9	63.3	0	0	0	111.1	I304 L307 M308 L425 A541 W542 C547 I548 I549	I304-L545 HydrophobicContact CD1-CD1 4.18Å; I304-L545 HydrophobicContact CG2-CD2 3.92Å; L307-L545 HydrophobicContact CB-CD1 4.17Å; L307-L545 HydrophobicContact CD1-CD1 3.88Å; M308-L545 HydrophobicContact CE-CD2 3.62Å; M308-L545 HydrophobicContact CG-CB 4.35Å; L425-L545 HydrophobicContact CD2-CD2 3.81Å; A541-L545 PolarHBondContact O-N 3.2Å; A541-L545 VanDerWaalsContact O-N 3.1Å; W542-L545 HydrophobicContact CE3-CD2 3.96Å; W542-L545 HydrophobicContact CZ3-CD2 3.76Å; W542-L545 PolarHBondContact O-N 3.2Å; L545-C547 PolarHBondContact O-N 3.12Å; L545-I548 PolarHBondContact O-N 3.23Å; L545-I549 HydrophobicContact CD1-CD1 4.05Å; L545-I549 HydrophobicContact CD1-CG1 4.37Å; L545-I549 HydrophobicContact CD2-CD1 4.42Å; L545-I549 HydrophobicContact CG-CD1 3.79Å; L545-I549 HydrophobicContact CG-CG1 4.48Å; L545-I549 VanDerWaalsContact O-CG1 3.31Å; L545-I549 WeakPolarHBondContact O-CG1 3.43Å; L545-I549 PolarHBondContact O-N 3.06Å
546	R	95.6	Very high	95.6	Very high	23 Å²	23	33.6 Å²	33.6	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-40.4	-179.9	-175.4	63.7	-143.7	-85.5	-16.2	112.5	L233 L419 G420 N421 W542 I544 I548 I549 D550	L233-R546 HydrophobicContact CD2-CB 4.12Å; L233-R546 HydrophobicContact CD2-CG 4.27Å; L419-R546 PolarHBondContact O-NH1 2.56Å; G420-R546 PolarHBondContact O-NH1 3.07Å; N421-R546 PolarHBondContact ND2-NH1 3.31Å; N421-R546 PolarHBondContact ND2-NH2 2.85Å; W542-R546 VanDerWaalsContact O-CB 3.29Å; W542-R546 WeakPolarHBondContact O-CB 3.47Å; W542-R546 PolarHBondContact O-N 3.12Å; I544-R546 VanDerWaalsContact C-N 3.3Å; I544-R546 PolarHBondContact O-N 3.04Å; R546-I548 PolarHBondContact O-N 3.2Å; R546-I549 PolarHBondContact O-N 3.32Å; R546-D550 IonicContact CZ-OD1 2.95Å; R546-D550 IonicContact CZ-OD2 2.83Å; R546-D550 VanDerWaalsContact CZ-OD2 3.24Å; R546-D550 VanDerWaalsContact NE-CG 3.29Å; R546-D550 IonicContact NE-OD1 3.73Å; R546-D550 PolarHBondContact NE-OD1 3.41Å; R546-D550 IonicContact NE-OD2 2.76Å; R546-D550 PolarHBondContact NE-OD2 3.22Å; R546-D550 IonicContact NH2-OD1 3.48Å; R546-D550 PolarHBondContact NH2-OD1 2.74Å; R546-D550 IonicContact NH2-OD2 2.63Å; R546-D550 PolarHBondContact NH2-OD2 3.24Å; R546-D550 WeakPolarHBondContact O-CB 3.32Å; R546-D550 VanDerWaalsContact O-CG 3.25Å; R546-D550 PolarHBondContact O-N 3.23Å
547	C	95.5	Very high	95.6	Very high	34 Å²	34	39 Å²	39	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-43.5	175.5	177.8	0	0	0	0	112.2	L231 G543 I544 L545 D550 K551	L231-C547 HydrophobicContact CD1-CB 3.54Å; G543-C547 WeakPolarHBondContact O-CB 3.36Å; G543-C547 PolarHBondContact O-N 3.49Å; I544-C547 PolarHBondContact O-N 3.23Å; L545-C547 PolarHBondContact O-N 3.12Å; C547-D550 PolarHBondContact O-N 3.26Å; C547-K551 WeakPolarHBondContact O-CG 3.49Å; C547-K551 PolarHBondContact O-N 3.43Å; C547-K551 VanDerWaalsContact O-N 3.15Å
548	I	96.2	Very high	95.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-45.7	177.2	-65.3	168	0	0	0	110.5	L307 F330 I544 L545 R546 D550 K551 C552 L562	L307-I548 HydrophobicContact CB-CD1 4.49Å; L307-I548 HydrophobicContact CD2-CD1 4.28Å; F330-I548 HydrophobicContact CE1-CG2 4.2Å; F330-I548 HydrophobicContact CZ-CG2 4.39Å; I544-I548 HydrophobicContact CG2-CD1 4.05Å; I544-I548 WeakPolarHBondContact O-CG1 3.18Å; I544-I548 PolarHBondContact O-N 3.24Å; I544-I548 VanDerWaalsContact O-N 3.13Å; L545-I548 PolarHBondContact O-N 3.23Å; R546-I548 PolarHBondContact O-N 3.2Å; I548-D550 VanDerWaalsContact C-N 3.35Å; I548-D550 PolarHBondContact O-N 2.94Å; I548-K551 PolarHBondContact O-N 3.23Å; I548-C552 PolarHBondContact O-N 3.37Å; I548-C552 PolarHBondContact O-SG 2.99Å; I548-L562 HydrophobicContact CD1-CD2 4.09Å; I548-L562 HydrophobicContact CG2-CD2 4.02Å
549	I	96.7	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-46.6	178.4	-71.8	170.1	0	0	0	110.9	V297 L328 F330 L419 I423 L545 R546 K551 C552 F553	V297-I549 HydrophobicContact CG1-CD1 4.13Å; V297-I549 HydrophobicContact CG1-CG1 4.43Å; V297-I549 HydrophobicContact CG2-CG2 4.09Å; L328-I549 HydrophobicContact CD1-CG2 4.23Å; F330-I549 HydrophobicContact CE2-CG1 3.92Å; F330-I549 HydrophobicContact CZ-CG1 3.9Å; L419-I549 HydrophobicContact CD1-CD1 3.8Å; I423-I549 HydrophobicContact CD1-CG2 3.9Å; I423-I549 HydrophobicContact CG1-CG2 4.42Å; I423-I549 HydrophobicContact CG2-CG2 4.1Å; L545-I549 HydrophobicContact CD1-CD1 4.05Å; L545-I549 HydrophobicContact CD1-CG1 4.37Å; L545-I549 HydrophobicContact CD2-CD1 4.42Å; L545-I549 HydrophobicContact CG-CD1 3.79Å; L545-I549 HydrophobicContact CG-CG1 4.48Å; L545-I549 VanDerWaalsContact O-CG1 3.31Å; L545-I549 WeakPolarHBondContact O-CG1 3.43Å; L545-I549 PolarHBondContact O-N 3.06Å; R546-I549 PolarHBondContact O-N 3.32Å; I549-K551 VanDerWaalsContact C-N 3.35Å; I549-K551 PolarHBondContact O-N 3.1Å; I549-C552 WeakPolarHBondContact O-CB 3.43Å; I549-C552 PolarHBondContact O-N 3.09Å; I549-C552 VanDerWaalsContact O-N 3.07Å; I549-F553 HydrophobicContact CG2-CD2 3.52Å; I549-F553 HydrophobicContact CG2-CE2 3.48Å; I549-F553 VanDerWaalsContact CG2-CE2 3.48Å; I549-F553 VanDerWaalsContact O-CD2 3.31Å; I549-F553 WeakPolarHBondContact O-CD2 3.33Å; I549-F553 PolarHBondContact O-N 3.34Å
550	D	95.6	Very high	95.7	Very high	51 Å²	51	33.7 Å²	33.7	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-44.1	-179.1	-73.3	-7.7	0	0	0	112.1	I423 R546 C547 I548 C552 F553 E554	I423-D550 WeakPolarHBondContact CD1-OD1 3.38Å; R546-D550 IonicContact CZ-OD1 2.95Å; R546-D550 IonicContact CZ-OD2 2.83Å; R546-D550 VanDerWaalsContact CZ-OD2 3.24Å; R546-D550 VanDerWaalsContact NE-CG 3.29Å; R546-D550 IonicContact NE-OD1 3.73Å; R546-D550 PolarHBondContact NE-OD1 3.41Å; R546-D550 IonicContact NE-OD2 2.76Å; R546-D550 PolarHBondContact NE-OD2 3.22Å; R546-D550 IonicContact NH2-OD1 3.48Å; R546-D550 PolarHBondContact NH2-OD1 2.74Å; R546-D550 IonicContact NH2-OD2 2.63Å; R546-D550 PolarHBondContact NH2-OD2 3.24Å; R546-D550 WeakPolarHBondContact O-CB 3.32Å; R546-D550 VanDerWaalsContact O-CG 3.25Å; R546-D550 PolarHBondContact O-N 3.23Å; C547-D550 PolarHBondContact O-N 3.26Å; I548-D550 VanDerWaalsContact C-N 3.35Å; I548-D550 PolarHBondContact O-N 2.94Å; D550-C552 VanDerWaalsContact C-N 3.28Å; D550-C552 PolarHBondContact O-N 3.13Å; D550-F553 PolarHBondContact O-N 2.87Å; D550-F553 VanDerWaalsContact O-N 3.13Å; D550-E554 PolarHBondContact O-N 3.49Å
551	K	95.1	Very high	95.7	Very high	56 Å²	56	32.5 Å²	32.5	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-37	173.6	-72.2	-59.9	-168.1	171.4	0	112.6	E221 F223 C547 I548 I549 E554 L555	E221-K551 WeakPolarHBondContact OE1-CE 3.43Å; E221-K551 IonicContact OE1-NZ 3.74Å; E221-K551 PolarHBondContact OE1-NZ 3.29Å; F223-K551 HydrophobicContact CE1-CG 3.96Å; F223-K551 HydrophobicContact CZ-CB 4.03Å; F223-K551 HydrophobicContact CZ-CG 3.85Å; C547-K551 WeakPolarHBondContact O-CG 3.49Å; C547-K551 PolarHBondContact O-N 3.43Å; C547-K551 VanDerWaalsContact O-N 3.15Å; I548-K551 PolarHBondContact O-N 3.23Å; I549-K551 VanDerWaalsContact C-N 3.35Å; I549-K551 PolarHBondContact O-N 3.1Å; K551-E554 WeakPolarHBondContact CD-OE2 3.49Å; K551-E554 IonicContact NZ-OE2 3.01Å; K551-E554 PolarHBondContact NZ-OE2 3.45Å; K551-E554 VanDerWaalsContact NZ-OE2 3.08Å; K551-E554 PolarHBondContact O-N 3.36Å; K551-L555 WeakPolarHBondContact O-CG 3.3Å
552	C	95.3	Very high	95.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-70.7	-30.4	175.5	-63.1	0	0	0	0	113.2	L328 I548 I549 D550 L555	L328-C552 HydrophobicContact CD1-CB 3.7Å; L328-C552 HydrophobicContact CD2-CB 3.87Å; L328-C552 HydrophobicContact CG-CB 4.49Å; I548-C552 PolarHBondContact O-N 3.37Å; I548-C552 PolarHBondContact O-SG 2.99Å; I549-C552 WeakPolarHBondContact O-CB 3.43Å; I549-C552 PolarHBondContact O-N 3.09Å; I549-C552 VanDerWaalsContact O-N 3.07Å; D550-C552 VanDerWaalsContact C-N 3.28Å; D550-C552 PolarHBondContact O-N 3.13Å; C552-L555 PolarHBondContact O-N 2.94Å
553	F	94.8	Very high	95.6	Very high	46 Å²	46	31.9 Å²	31.9	20%	0.202	18%	0.175	C	C	.	.	H	α-helix	trans	-75.5	-26	175.5	-87.2	-74.7	0	0	0	113.4	N296 V297 R323 N326 L328 I423 I549 D550 L555	N296-F553 HydrophobicContact CB-CZ 4.34Å; V297-F553 HydrophobicContact CG2-CE2 3.77Å; V297-F553 HydrophobicContact CG2-CZ 4.02Å; R323-F553 VanDerWaalsContact CZ-CD1 3.42Å; N326-F553 WeakPolarHBondContact O-CE1 3.36Å; N326-F553 WeakPolarHBondContact OD1-CE1 3.32Å; L328-F553 HydrophobicContact CD1-CD1 4.46Å; L328-F553 HydrophobicContact CD1-CD2 3.47Å; L328-F553 VanDerWaalsContact CD1-CD2 3.47Å; L328-F553 HydrophobicContact CD1-CE1 4.39Å; L328-F553 HydrophobicContact CD1-CE2 3.38Å; L328-F553 HydrophobicContact CD1-CG 4.02Å; L328-F553 HydrophobicContact CD1-CZ 3.84Å; L328-F553 HydrophobicContact CG-CD2 4.47Å; L328-F553 HydrophobicContact CG-CE1 4.45Å; L328-F553 HydrophobicContact CG-CE2 4.16Å; L328-F553 HydrophobicContact CG-CZ 4.11Å; I423-F553 HydrophobicContact CD1-CD2 4.31Å; I423-F553 HydrophobicContact CD1-CE2 4.26Å; I423-F553 HydrophobicContact CG1-CD2 4.46Å; I423-F553 HydrophobicContact CG1-CE2 3.97Å; I549-F553 HydrophobicContact CG2-CD2 3.52Å; I549-F553 HydrophobicContact CG2-CE2 3.48Å; I549-F553 VanDerWaalsContact CG2-CE2 3.48Å; I549-F553 VanDerWaalsContact O-CD2 3.31Å; I549-F553 WeakPolarHBondContact O-CD2 3.33Å; I549-F553 PolarHBondContact O-N 3.34Å; D550-F553 PolarHBondContact O-N 2.87Å; D550-F553 VanDerWaalsContact O-N 3.13Å; F553-L555 PolarHBondContact O-N 3.08Å
554	E	94.3	Very high	95.6	Very high	137 Å²	137	31.8 Å²	31.8	64%	0.64	17%	0.173	S	C	*	.	H	α-helix	trans	-68.1	-23.3	172.2	-72.9	174.4	-174.7	0	0	112.6	D550 K551	D550-E554 PolarHBondContact O-N 3.49Å; K551-E554 WeakPolarHBondContact CD-OE2 3.49Å; K551-E554 IonicContact NZ-OE2 3.01Å; K551-E554 PolarHBondContact NZ-OE2 3.45Å; K551-E554 VanDerWaalsContact NZ-OE2 3.08Å; K551-E554 PolarHBondContact O-N 3.36Å
555	L	94.3	Very high	95.5	Very high	41 Å²	41	33 Å²	33	22%	0.215	18%	0.179	C	C	.	.	S	Bend	trans	-81.5	157.6	-177.9	-61.5	174.6	0	0	0	112.7	L220 K551 C552 F553 Y560 L573	L220-L555 HydrophobicContact CD1-CD1 3.71Å; L220-L555 HydrophobicContact CD1-CD2 3.8Å; L220-L555 HydrophobicContact CD1-CG 4.38Å; K551-L555 WeakPolarHBondContact O-CG 3.3Å; C552-L555 PolarHBondContact O-N 2.94Å; F553-L555 PolarHBondContact O-N 3.08Å; L555-Y560 HydrophobicContact CB-CE1 4.37Å; L555-Y560 HydrophobicContact CB-CE2 4.43Å; L555-Y560 HydrophobicContact CD1-CD1 4.02Å; L555-Y560 HydrophobicContact CD1-CE1 3.85Å; L555-Y560 HydrophobicContact CD1-CG 4.5Å; L555-L573 HydrophobicContact CD1-CD2 3.72Å
556	A	95	Very high	95.3	Very high	69 Å²	69	33.5 Å²	33.5	57%	0.57	18%	0.182	S	C	*	.	P	Polyproline II helix	trans	-66	171.5	172.6	0	0	0	0	0	111.8	R323 Y560	R323-A556 WeakPolarHBondContact CG-O 3.46Å; A556-Y560 PolarHBondContact O-OH 3.17Å
557	Q	95.1	Very high	95.1	Very high	135 Å²	135	36.4 Å²	36.4	63%	0.631	20%	0.2	S	C	*	.	S	Bend	trans	-68.2	140	172.2	-62.5	-179.8	37.6	0	0	110.4	R323 G325	R323-Q557 HydrophobicContact CG-CG 4.33Å; R323-Q557 WeakPolarHBondContact O-CA 3.37Å; R323-Q557 WeakPolarHBondContact O-CB 3.29Å; G325-Q557 VanDerWaalsContact N-CD 3.27Å; G325-Q557 VanDerWaalsContact N-OE1 3.1Å
558	G	94.2	Very high	95	Very high	33 Å²	33	40.7 Å²	40.7	34%	0.34	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-177.7	-175.1	0	0	0	0	0	114.3	R323	R323-G558 PolarHBondContact N-O 2.93Å; R323-G558 PolarHBondContact O-N 3.2Å; R323-G558 VanDerWaalsContact O-N 3.1Å
559	K	95.5	Very high	94.8	Very high	24 Å²	24	44.8 Å²	44.8	10%	0.104	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.2	174.6	-166	174.9	-172.3	171.3	0	109	V320 V576 A580	V320-K559 HydrophobicContact CG1-CD 4.48Å; V320-K559 HydrophobicContact CG1-CG 4.06Å; K559-V576 HydrophobicContact CB-CG2 3.87Å; K559-V576 HydrophobicContact CD-CG2 4.12Å; K559-V576 HydrophobicContact CG-CG2 3.67Å; K559-V576 WeakPolarHBondContact O-CG2 3.41Å; K559-V576 PolarHBondContact O-N 3.32Å; K559-V576 VanDerWaalsContact O-N 3.12Å; K559-A580 PolarHBondContact NZ-O 2.88Å
560	Y	96.9	Very high	94.7	Very high	7 Å²	7	46 Å²	46	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.6	-177.9	-57.8	-84.7	0	0	0	110.3	L220 V320 I321 R323 L555 A556 Y574 K575	L220-Y560 HydrophobicContact CD1-CD1 3.68Å; L220-Y560 HydrophobicContact CD1-CE1 3.51Å; V320-Y560 CarbonylContact C-O 3.52Å; V320-Y560 WeakPolarHBondContact CA-O 3.38Å; I321-Y560 PolarHBondContact N-O 2.89Å; I321-Y560 PolarHBondContact O-N 3.45Å; R323-Y560 HydrophobicContact CB-CD2 4.42Å; R323-Y560 HydrophobicContact CB-CE2 3.99Å; L555-Y560 HydrophobicContact CB-CE1 4.37Å; L555-Y560 HydrophobicContact CB-CE2 4.43Å; L555-Y560 HydrophobicContact CD1-CD1 4.02Å; L555-Y560 HydrophobicContact CD1-CE1 3.85Å; L555-Y560 HydrophobicContact CD1-CG 4.5Å; A556-Y560 PolarHBondContact O-OH 3.17Å; Y560-Y574 CarbonylContact C-O 3.57Å; Y560-Y574 VanDerWaalsContact CA-O 3.23Å; Y560-Y574 WeakPolarHBondContact CA-O 3.37Å; Y560-Y574 WeakPolarHBondContact CB-O 3.4Å; Y560-K575 HydrophobicContact CD1-CB 4.05Å; Y560-K575 HydrophobicContact CD1-CG 4.26Å; Y560-K575 HydrophobicContact CE1-CB 3.96Å; Y560-K575 HydrophobicContact CE1-CD 4.4Å; Y560-K575 HydrophobicContact CE1-CG 3.83Å
561	V	96	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.3	176.3	176.9	0	0	0	0	108.9	W217 D318 Y574 V576 F581	W217-V561 HydrophobicContact CH2-CG2 4.49Å; W217-V561 HydrophobicContact CZ3-CG1 4.4Å; D318-V561 HydrophobicContact CB-CG1 4.04Å; V561-Y574 PolarHBondContact N-O 3.38Å; V561-Y574 PolarHBondContact O-N 3.33Å; V561-V576 HydrophobicContact CB-CG1 4.21Å; V561-V576 HydrophobicContact CG2-CB 4.49Å; V561-V576 HydrophobicContact CG2-CG1 3.66Å; V561-V576 HydrophobicContact CG2-CG2 3.99Å; V561-F581 HydrophobicContact CG2-CE2 3.67Å; V561-F581 HydrophobicContact CG2-CZ 3.84Å
562	L	96.9	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.4	169.8	-177.3	68.5	0	0	0	108.6	F223 L307 W317 D318 V319 I321 I548 L571 L573	F223-L562 HydrophobicContact CD2-CD1 4.41Å; F223-L562 HydrophobicContact CE2-CD1 4.36Å; L307-L562 HydrophobicContact CD2-CD2 3.61Å; W317-L562 HydrophobicContact CH2-CD2 4.37Å; W317-L562 HydrophobicContact CZ3-CD2 4.47Å; D318-L562 CarbonylContact C-O 3.49Å; D318-L562 VanDerWaalsContact CA-O 3.31Å; D318-L562 WeakPolarHBondContact CA-O 3.1Å; V319-L562 PolarHBondContact N-O 3.44Å; V319-L562 PolarHBondContact O-N 2.98Å; I321-L562 HydrophobicContact CD1-CB 3.99Å; I548-L562 HydrophobicContact CD1-CD2 4.09Å; I548-L562 HydrophobicContact CG2-CD2 4.02Å; L562-L571 HydrophobicContact CD1-CB 4.06Å; L562-L573 HydrophobicContact CB-CD1 4.19Å; L562-L573 HydrophobicContact CD1-CB 4.2Å; L562-L573 HydrophobicContact CD1-CD1 4.3Å
563	M	95.2	Very high	94.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.9	-177.9	177.4	-161.4	-87.3	0	0	111.3	P209 V211 I213 W317 L571 L572 Y574	P209-M563 HydrophobicContact CB-CE 4.41Å; V211-M563 HydrophobicContact CB-CE 4.2Å; V211-M563 HydrophobicContact CG1-CE 3.07Å; V211-M563 VanDerWaalsContact O-CE 3.31Å; V211-M563 WeakPolarHBondContact O-CE 3.31Å; I213-M563 HydrophobicContact CD1-CE 4.18Å; I213-M563 HydrophobicContact CD1-SD 4.03Å; I213-M563 HydrophobicContact CG1-CE 3.82Å; I213-M563 HydrophobicContact CG1-SD 4.31Å; W317-M563 WeakPolarHBondContact O-CA 3.48Å; M563-L571 CarbonylContact O-C 3.59Å; M563-L571 WeakPolarHBondContact O-CA 3.19Å; M563-L572 PolarHBondContact N-O 3.34Å; M563-L572 PolarHBondContact O-N 3.22Å; M563-Y574 HydrophobicContact CB-CE2 4.34Å
564	K	96.2	Very high	95	Very high	6 Å²	6	40 Å²	40	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.2	162.1	173.6	61.8	179.4	66.9	0	110.9	S313 Y315 S316 W317 K568 M570 L571	S313-K564 WeakPolarHBondContact O-CE 3.16Å; Y315-K564 WeakPolarHBondContact O-CG 3.3Å; S316-K564 WeakPolarHBondContact CA-O 3.25Å; S316-K564 WeakPolarHBondContact CB-O 3.27Å; S316-K564 PolarHBondContact OG-O 2.84Å; W317-K564 HydrophobicContact CD2-CB 3.99Å; W317-K564 HydrophobicContact CG-CB 4.09Å; W317-K564 HydrophobicContact CZ2-CB 4.12Å; W317-K564 PolarHBondContact O-N 3.33Å; K564-K568 PolarHBondContact NZ-O 3.42Å; K564-M570 WeakPolarHBondContact CD-O 3.41Å; K564-L571 HydrophobicContact CB-CD2 3.74Å; K564-L571 HydrophobicContact CD-CD2 3.65Å; K564-L571 HydrophobicContact CG-CD2 4.28Å
565	D	94.5	Very high	95	Very high	24 Å²	24	38 Å²	38	13%	0.128	21%	0.208	C	C	.	.			trans	-60.9	132.1	176.7	-175.9	-59	0	0	0	110.4	N567 K568 M570	D565-N567 VanDerWaalsContact C-N 3.27Å; D565-N567 PolarHBondContact O-N 2.88Å; D565-N567 PolarHBondContact OD1-N 3.01Å; D565-K568 HydrophobicContact CB-CB 4.12Å; D565-K568 PolarHBondContact OD1-N 3.16Å; D565-M570 HydrophobicContact CB-CG 4Å; D565-M570 PolarHBondContact N-O 3.13Å; D565-M570 VanDerWaalsContact N-O 3.13Å
566	P	92.7	Very high	95	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.071	20%	0.2	C	C	.	.	S	Bend	trans	-64.9	-25.8	-177	22.4	-33.3	0	0	0	114.9	R207 P209	R207-P566 HydrophobicContact CB-CB 3.98Å; R207-P566 PolarHBondContact NH1-O 3.32Å; R207-P566 WeakPolarHBondContact O-CB 3.44Å; P209-P566 HydrophobicContact CB-CG 4.11Å
567	N	91.5	Very high	94.9	Very high	85 Å²	85	35.4 Å²	35.4	46%	0.455	19%	0.187	S	C	.	.	S	Bend	trans	-123.1	-20.2	-169.3	-63.5	-63.2	0	0	0	113.1	P206 R207 D565	P206-N567 WeakPolarHBondContact CA-OD1 3.31Å; R207-N567 PolarHBondContact N-OD1 3.48Å; R207-N567 PolarHBondContact O-ND2 2.97Å; D565-N567 VanDerWaalsContact C-N 3.27Å; D565-N567 PolarHBondContact O-N 2.88Å; D565-N567 PolarHBondContact OD1-N 3.01Å
568	K	92.3	Very high	94.5	Very high	123 Å²	123	33 Å²	33	54%	0.535	19%	0.191	S	C	.	.	S	Bend	trans	-110.4	146.5	177.2	-61	177	-176.8	171.1	0	111.9	K564 D565 M570	K564-K568 PolarHBondContact NZ-O 3.42Å; D565-K568 HydrophobicContact CB-CB 4.12Å; D565-K568 PolarHBondContact OD1-N 3.16Å; K568-M570 HydrophobicContact CB-CG 3.92Å; K568-M570 HydrophobicContact CB-SD 3.96Å; K568-M570 HydrophobicContact CD-SD 3.8Å; K568-M570 PolarHBondContact O-N 3.26Å
569	P	93.4	Very high	94.1	Very high	88 Å²	88	36.8 Å²	36.8	57%	0.571	20%	0.203	S	C	*	.	S	Bend	trans	-81.8	63.5	177.3	35.3	-36.1	0	0	0	111.5	L225	L225-P569 WeakPolarHBondContact CB-O 3.44Å; L225-P569 HydrophobicContact CD1-CB 4.02Å; L225-P569 HydrophobicContact CG-CB 4.47Å; L225-P569 VanDerWaalsContact CG-O 3.29Å; L225-P569 WeakPolarHBondContact CG-O 3.3Å; L225-P569 PolarHBondContact N-O 2.81Å; L225-P569 VanDerWaalsContact N-O 3.13Å
570	M	94.6	Very high	93.4	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.133	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156	179.5	64.6	-168.3	-63.5	0	0	111.7	E222 F223 K564 D565 K568 L572	E222-M570 HydrophobicContact CB-CE 3.77Å; E222-M570 HydrophobicContact CG-CE 4.02Å; E222-M570 WeakPolarHBondContact OE2-CE 3.38Å; F223-M570 CarbonylContact O-C 3.5Å; F223-M570 WeakPolarHBondContact O-CA 3.49Å; F223-M570 WeakPolarHBondContact O-CB 3.47Å; K564-M570 WeakPolarHBondContact CD-O 3.41Å; D565-M570 HydrophobicContact CB-CG 4Å; D565-M570 PolarHBondContact N-O 3.13Å; D565-M570 VanDerWaalsContact N-O 3.13Å; K568-M570 HydrophobicContact CB-CG 3.92Å; K568-M570 HydrophobicContact CB-SD 3.96Å; K568-M570 HydrophobicContact CD-SD 3.8Å; K568-M570 PolarHBondContact O-N 3.26Å; M570-L572 HydrophobicContact CE-CD2 3.54Å; M570-L572 HydrophobicContact CE-CG 4.39Å
571	L	96.2	Very high	92.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.8	168.6	-50.6	176	0	0	0	109.6	F223 L225 L228 C310 W317 L562 M563 K564	F223-L571 HydrophobicContact CB-CB 4.15Å; F223-L571 HydrophobicContact CD2-CB 4.27Å; F223-L571 PolarHBondContact N-O 2.82Å; F223-L571 PolarHBondContact O-N 2.97Å; L225-L571 HydrophobicContact CD2-CD2 4.41Å; L225-L571 HydrophobicContact CD2-CG 4.13Å; L228-L571 HydrophobicContact CD1-CD1 3.89Å; C310-L571 HydrophobicContact CB-CD1 4.05Å; W317-L571 HydrophobicContact CH2-CD1 4.42Å; W317-L571 HydrophobicContact CH2-CD2 4Å; W317-L571 HydrophobicContact CZ2-CD2 3.7Å; L562-L571 HydrophobicContact CD1-CB 4.06Å; M563-L571 CarbonylContact O-C 3.59Å; M563-L571 WeakPolarHBondContact O-CA 3.19Å; K564-L571 HydrophobicContact CB-CD2 3.74Å; K564-L571 HydrophobicContact CD-CD2 3.65Å; K564-L571 HydrophobicContact CG-CD2 4.28Å
572	L	96.1	Very high	91.7	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.8	-179.9	-64.6	171.8	0	0	0	108.6	E222 M563 M570 Y574	E222-L572 HydrophobicContact CB-CD2 4.14Å; E222-L572 HydrophobicContact CG-CD2 3.6Å; M563-L572 PolarHBondContact N-O 3.34Å; M563-L572 PolarHBondContact O-N 3.22Å; M570-L572 HydrophobicContact CE-CD2 3.54Å; M570-L572 HydrophobicContact CE-CG 4.39Å; L572-Y574 HydrophobicContact CB-CD2 4.2Å; L572-Y574 HydrophobicContact CB-CE2 3.47Å; L572-Y574 VanDerWaalsContact CB-CE2 3.47Å; L572-Y574 HydrophobicContact CD1-CE2 4.25Å; L572-Y574 VanDerWaalsContact CD1-OH 3.25Å; L572-Y574 WeakPolarHBondContact CD1-OH 3.17Å; L572-Y574 HydrophobicContact CG-CE2 4.48Å
573	L	97	Very high	90.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.3	174.7	-177	62.5	0	0	0	109.5	L220 E221 F223 I321 L555 L562	L220-L573 PolarHBondContact N-O 3.48Å; E221-L573 HydrophobicContact CB-CB 4.2Å; E221-L573 HydrophobicContact CB-CD2 4.4Å; E221-L573 PolarHBondContact O-N 3.04Å; F223-L573 HydrophobicContact CE2-CB 4.3Å; I321-L573 HydrophobicContact CD1-CD1 4.23Å; L555-L573 HydrophobicContact CD1-CD2 3.72Å; L562-L573 HydrophobicContact CB-CD1 4.19Å; L562-L573 HydrophobicContact CD1-CB 4.2Å; L562-L573 HydrophobicContact CD1-CD1 4.3Å
574	Y	96.6	Very high	88.9	Confident	15 Å²	15	48.4 Å²	48.4	6%	0.059	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.1	179.3	-65.6	-87.3	0	0	0	111.3	I213 W217 E218 V219 Y560 V561 M563 L572	I213-Y574 WeakPolarHBondContact CD1-OH 3.43Å; I213-Y574 HydrophobicContact CG2-CE1 4.08Å; W217-Y574 HydrophobicContact CB-CD1 3.98Å; W217-Y574 HydrophobicContact CE3-CD1 4.18Å; W217-Y574 HydrophobicContact CE3-CD2 4.32Å; W217-Y574 AromaticContact CE3-CG 3.94Å; W217-Y574 HydrophobicContact CE3-CG 3.94Å; E218-Y574 CarbonylContact O-C 3.48Å; E218-Y574 VanDerWaalsContact O-CA 3.3Å; E218-Y574 WeakPolarHBondContact O-CA 3.44Å; V219-Y574 HydrophobicContact CB-CE1 4.46Å; V219-Y574 HydrophobicContact CG2-CD1 3.88Å; V219-Y574 HydrophobicContact CG2-CE1 3.37Å; Y560-Y574 CarbonylContact C-O 3.57Å; Y560-Y574 VanDerWaalsContact CA-O 3.23Å; Y560-Y574 WeakPolarHBondContact CA-O 3.37Å; Y560-Y574 WeakPolarHBondContact CB-O 3.4Å; V561-Y574 PolarHBondContact N-O 3.38Å; V561-Y574 PolarHBondContact O-N 3.33Å; M563-Y574 HydrophobicContact CB-CE2 4.34Å; L572-Y574 HydrophobicContact CB-CD2 4.2Å; L572-Y574 HydrophobicContact CB-CE2 3.47Å; L572-Y574 VanDerWaalsContact CB-CE2 3.47Å; L572-Y574 HydrophobicContact CD1-CE2 4.25Å; L572-Y574 VanDerWaalsContact CD1-OH 3.25Å; L572-Y574 WeakPolarHBondContact CD1-OH 3.17Å; L572-Y574 HydrophobicContact CG-CE2 4.48Å
575	K	96	Very high	87.2	Confident	95 Å²	95	51.9 Å²	51.9	41%	0.413	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.3	159.9	-174.3	180	175.2	-172.1	0	108.8	E218 L220 Y560	E218-K575 HydrophobicContact CB-CB 4.28Å; E218-K575 PolarHBondContact N-O 2.97Å; E218-K575 PolarHBondContact O-N 2.84Å; L220-K575 HydrophobicContact CD1-CB 3.86Å; L220-K575 HydrophobicContact CD2-CB 4.35Å; L220-K575 HydrophobicContact CG-CB 4.09Å; Y560-K575 HydrophobicContact CD1-CB 4.05Å; Y560-K575 HydrophobicContact CD1-CG 4.26Å; Y560-K575 HydrophobicContact CE1-CB 3.96Å; Y560-K575 HydrophobicContact CE1-CD 4.4Å; Y560-K575 HydrophobicContact CE1-CG 3.83Å
576	V	94.1	Very high	85.5	Confident	9 Å²	9	56 Å²	56	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.1	-179.7	-59.1	0	0	0	0	110.9	W217 K559 V561 A580	W217-V576 HydrophobicContact CD2-CG1 3.53Å; W217-V576 VanDerWaalsContact CE2-CG1 3.47Å; W217-V576 HydrophobicContact CE3-CG1 3.97Å; W217-V576 HydrophobicContact CG-CG1 3.87Å; W217-V576 HydrophobicContact CH2-CG1 4.3Å; W217-V576 HydrophobicContact CZ2-CG1 3.89Å; W217-V576 HydrophobicContact CZ3-CG1 4.33Å; K559-V576 HydrophobicContact CB-CG2 3.87Å; K559-V576 HydrophobicContact CD-CG2 4.12Å; K559-V576 HydrophobicContact CG-CG2 3.67Å; K559-V576 WeakPolarHBondContact O-CG2 3.41Å; K559-V576 PolarHBondContact O-N 3.32Å; K559-V576 VanDerWaalsContact O-N 3.12Å; V561-V576 HydrophobicContact CB-CG1 4.21Å; V561-V576 HydrophobicContact CG2-CB 4.49Å; V561-V576 HydrophobicContact CG2-CG1 3.66Å; V561-V576 HydrophobicContact CG2-CG2 3.99Å; V576-A580 HydrophobicContact CB-CB 3.99Å; V576-A580 HydrophobicContact CG2-CB 4.12Å
577	P	92.4	Very high	83.8	Confident	45 Å²	45	62.7 Å²	62.7	29%	0.292	33%	0.33	S	S	.	.			trans	-55.8	154.2	168.7	-25.4	36.3	0	0	0	112.2	D579 A580	P577-D579 WeakPolarHBondContact CB-OD1 3.33Å; P577-D579 PolarHBondContact O-N 3.37Å; P577-A580 VanDerWaalsContact O-CB 3.28Å; P577-A580 WeakPolarHBondContact O-CB 3.36Å; P577-A580 PolarHBondContact O-N 2.92Å
578	A	87	Confident	81.9	Confident	86 Å²	86	61.8 Å²	61.8	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.9	-177.2	0	0	0	0	0	112.9	A580	A578-A580 VanDerWaalsContact C-N 3.33Å
579	D	85.9	Confident	79.8	Confident	111 Å²	111	60.8 Å²	60.8	59%	0.594	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.4	177.1	57.2	-44.8	0	0	0	114	P577 F581 N582	P577-D579 WeakPolarHBondContact CB-OD1 3.33Å; P577-D579 PolarHBondContact O-N 3.37Å; D579-F581 PolarHBondContact O-N 3.14Å; D579-N582 PolarHBondContact O-N 3.08Å
580	A	80.1	Confident	77.1	Confident	10 Å²	10	59.6 Å²	59.6	8%	0.083	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	132.6	177	0	0	0	0	0	110.9	K559 V576 P577 A578	K559-A580 PolarHBondContact NZ-O 2.88Å; V576-A580 HydrophobicContact CB-CB 3.99Å; V576-A580 HydrophobicContact CG2-CB 4.12Å; P577-A580 VanDerWaalsContact O-CB 3.28Å; P577-A580 WeakPolarHBondContact O-CB 3.36Å; P577-A580 PolarHBondContact O-N 2.92Å; A578-A580 VanDerWaalsContact C-N 3.33Å
581	F	81.4	Confident	74.6	Confident	12 Å²	12	61.9 Å²	61.9	5%	0.053	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-10.8	179.7	-45.8	-59.2	0	0	0	117.5	V211 W217 V320 R333 V561 D579 E583 E584 E585	V211-F581 HydrophobicContact CG2-CE1 3.62Å; V211-F581 HydrophobicContact CG2-CZ 4.18Å; W217-F581 HydrophobicContact CH2-CE1 4.06Å; W217-F581 AromaticContact CH2-CZ 3.64Å; W217-F581 HydrophobicContact CH2-CZ 3.64Å; W217-F581 AromaticContact CZ2-CE1 3.95Å; W217-F581 HydrophobicContact CZ2-CE1 3.95Å; W217-F581 AromaticContact CZ2-CZ 3.64Å; W217-F581 HydrophobicContact CZ2-CZ 3.64Å; V320-F581 HydrophobicContact CG2-CD2 4.43Å; V320-F581 HydrophobicContact CG2-CE2 4.19Å; R333-F581 VanDerWaalsContact CD-CD1 3.46Å; R333-F581 HydrophobicContact CG-CD1 4.43Å; R333-F581 HydrophobicContact CG-CD2 4.38Å; R333-F581 HydrophobicContact CG-CG 4.29Å; V561-F581 HydrophobicContact CG2-CE2 3.67Å; V561-F581 HydrophobicContact CG2-CZ 3.84Å; D579-F581 PolarHBondContact O-N 3.14Å; F581-E583 PolarHBondContact O-N 3.3Å; F581-E584 PolarHBondContact O-N 3.38Å; F581-E585 PolarHBondContact O-N 3.01Å
582	N	76.7	Confident	71.8	Confident	72 Å²	72	64.9 Å²	64.9	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-37.1	177.6	-61.6	17.5	0	0	0	111.8	D579 E584 E585 D586	D579-N582 PolarHBondContact O-N 3.08Å; N582-E584 VanDerWaalsContact C-N 3.3Å; N582-E584 PolarHBondContact O-N 3.27Å; N582-E585 PolarHBondContact O-N 3.38Å; N582-D586 PolarHBondContact O-N 3.02Å; N582-D586 VanDerWaalsContact O-N 3.09Å
583	E	68.1	Low	68.8	Low	120 Å²	120	72 Å²	72	56%	0.561	41%	0.407	S	S	*	.	H	α-helix	trans	-61.3	-36	175.6	-60.7	171.4	155.6	0	0	112.6	K214 F581 E585 E587	K214-E583 IonicContact NZ-OE2 2.75Å; K214-E583 PolarHBondContact NZ-OE2 3.02Å; F581-E583 PolarHBondContact O-N 3.3Å; E583-E585 VanDerWaalsContact C-N 3.35Å; E583-E587 WeakPolarHBondContact O-CG 3.36Å; E583-E587 PolarHBondContact O-N 3.23Å
584	E	64.9	Low	65.6	Low	62 Å²	62	74.7 Å²	74.7	29%	0.29	44%	0.435	S	S	.	.	H	α-helix	trans	-72.5	-33.5	179.6	-64.7	-180	-176.3	0	0	110.7	R333 F581 N582 E588	R333-E584 IonicContact CZ-OE2 3.04Å; R333-E584 IonicContact NH1-OE1 2.93Å; R333-E584 IonicContact NH1-OE2 2.75Å; R333-E584 PolarHBondContact NH1-OE2 3.39Å; F581-E584 PolarHBondContact O-N 3.38Å; N582-E584 VanDerWaalsContact C-N 3.3Å; N582-E584 PolarHBondContact O-N 3.27Å; E584-E588 PolarHBondContact O-N 3.1Å
585	E	59.8	Low	62.4	Low	79 Å²	79	83.4 Å²	83.4	37%	0.369	47%	0.473	S	S	.	.	H	α-helix	trans	-67.3	-43.3	175.8	-67.3	164.5	-164.9	0	0	110.8	F581 N582 E583 E587 E588 E589	F581-E585 PolarHBondContact O-N 3.01Å; N582-E585 PolarHBondContact O-N 3.38Å; E583-E585 VanDerWaalsContact C-N 3.35Å; E585-E587 PolarHBondContact O-N 3.39Å; E585-E588 PolarHBondContact O-N 3.32Å; E585-E589 PolarHBondContact O-N 3.4Å
586	D	58.9	Low	59.2	Low	110 Å²	110	88 Å²	88	59%	0.588	50%	0.496	S	S	*	.	H	α-helix	trans	-64.9	-38	178.1	-66.6	-34.5	0	0	0	113	N582 G590	N582-D586 PolarHBondContact O-N 3.02Å; N582-D586 VanDerWaalsContact O-N 3.09Å; D586-G590 PolarHBondContact O-N 2.64Å
587	E	57.9	Low	56.1	Low	153 Å²	153	95.1 Å²	95.1	72%	0.715	53%	0.534	S	S	*	.	H	α-helix	trans	-68.2	-35.6	179.1	-77.1	-176.1	-174.4	0	0	112.6	E583 E585 A591	E583-E587 WeakPolarHBondContact O-CG 3.36Å; E583-E587 PolarHBondContact O-N 3.23Å; E585-E587 PolarHBondContact O-N 3.39Å; E587-A591 PolarHBondContact O-N 3.03Å
588	E	51.3	Low	53.1	Low	66 Å²	66	97.2 Å²	97.2	31%	0.308	56%	0.564	S	S	.	*	H	α-helix	trans	-71.1	-37.6	178.2	-74.4	-173	167.1	0	0	111.9	T334 A335 E584 E585 G590 A591 L603	T334-E588 WeakPolarHBondContact CB-OE2 3.41Å; T334-E588 WeakPolarHBondContact CG2-OE2 3.38Å; A335-E588 VanDerWaalsContact CA-OE1 3.24Å; A335-E588 WeakPolarHBondContact CA-OE1 3.32Å; A335-E588 WeakPolarHBondContact CB-OE1 3.48Å; E584-E588 PolarHBondContact O-N 3.1Å; E585-E588 PolarHBondContact O-N 3.32Å; E588-G590 VanDerWaalsContact C-N 3.32Å; E588-G590 PolarHBondContact O-N 2.98Å; E588-A591 PolarHBondContact O-N 3.11Å; E588-L603 WeakPolarHBondContact O-CD2 3.43Å
589	E	47.9	Very low	50.4	Low	101 Å²	101	97.4 Å²	97.4	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-36.8	175.4	-70.8	-172.3	-177.5	0	0	112.3	E585 A591 C607	E585-E589 PolarHBondContact O-N 3.4Å; E589-A591 VanDerWaalsContact C-N 3.32Å; E589-A591 PolarHBondContact O-N 2.93Å; E589-C607 WeakPolarHBondContact OE1-CB 3.38Å; E589-C607 PolarHBondContact OE1-SG 3.04Å
590	G	37	Very low	47.6	Very low	64 Å²	64	97 Å²	97	66%	0.66	57%	0.572	S	S	*	*	H	α-helix	trans	-73.5	-15.1	178.9	0	0	0	0	0	115.6	D586 E588	D586-G590 PolarHBondContact O-N 2.64Å; E588-G590 VanDerWaalsContact C-N 3.32Å; E588-G590 PolarHBondContact O-N 2.98Å
591	A	41.7	Very low	45.2	Very low	75 Å²	75	100 Å²	100	62%	0.62	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-7.2	-177.2	0	0	0	0	0	114.2	E587 E588 E589 D593	E587-A591 PolarHBondContact O-N 3.03Å; E588-A591 PolarHBondContact O-N 3.11Å; E589-A591 VanDerWaalsContact C-N 3.32Å; E589-A591 PolarHBondContact O-N 2.93Å; A591-D593 VanDerWaalsContact C-N 3.33Å; A591-D593 PolarHBondContact O-N 2.97Å
592	S	37.5	Very low	42.8	Very low	63 Å²	63	105 Å²	105	44%	0.441	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-67.1	-24.5	-174.8	-179.5	0	0	0	0	114.6	G594	S592-G594 PolarHBondContact O-N 3.2Å
593	D	32.7	Very low	40.6	Very low	163 Å²	163	106.1 Å²	106.1	87%	0.872	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-89.2	14.1	-165.7	-72.3	-12.2	0	0	0	115.6	A591	A591-D593 VanDerWaalsContact C-N 3.33Å; A591-D593 PolarHBondContact O-N 2.97Å
594	G	28.9	Very low	38.8	Very low	58 Å²	58	106.3 Å²	106.3	60%	0.598	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-122.2	-4.7	-165.2	0	0	0	0	0	119.5	S592	S592-G594 PolarHBondContact O-N 3.2Å
595	F	31	Very low	37.1	Very low	197 Å²	197	107 Å²	107	86%	0.864	63%	0.628	S	S	*	*			trans	-131.3	79.9	-172.1	-89.9	-92.1	0	0	0	113.8	D597	F595-D597 PolarHBondContact O-N 3.31Å
596	E	27.8	Very low	35.6	Very low	191 Å²	191	107.4 Å²	107.4	89%	0.893	64%	0.639	S	S	*	*			trans	-79.5	95.4	157.2	-72.6	-175.2	153.3	0	0	108.9
597	D	29	Very low	34	Very low	160 Å²	160	106.3 Å²	106.3	86%	0.856	64%	0.639	S	S	*	*	S	Bend	trans	160	109.2	142.9	-83.9	-25.4	0	0	0	111.2	F595	F595-D597 PolarHBondContact O-N 3.31Å
598	G	28.9	Very low	32.7	Very low	88 Å²	88	107.7 Å²	107.7	91%	0.907	65%	0.648	S	S	*	*	S	Bend	trans	105	-5.1	153.1	0	0	0	0	0	119.3
599	A	30.2	Very low	31.6	Very low	91 Å²	91	110.9 Å²	110.9	75%	0.752	67%	0.672	S	S	*	*			trans	-148.6	49.4	177.5	0	0	0	0	0	113.2	I601	A599-I601 PolarHBondContact O-N 3.33Å
600	S	27	Very low	30.8	Very low	103 Å²	103	113.3 Å²	113.3	72%	0.72	69%	0.687	S	S	*	*			trans	-83.1	105.2	172.2	55.6	0	0	0	0	110.6
601	I	30.5	Very low	30.5	Very low	72 Å²	72	118.6 Å²	118.6	37%	0.369	70%	0.699	S	S	.	*			trans	177.5	72.7	137.6	-73.6	143.6	0	0	0	104.2	N272 A599	N272-I601 WeakPolarHBondContact OD1-CD1 3.44Å; A599-I601 PolarHBondContact O-N 3.33Å
602	F	31.3	Very low	30	Very low	117 Å²	117	122.1 Å²	122.1	51%	0.513	71%	0.707	S	S	.	*	S	Bend	trans	-142.5	127.9	158.8	-87	-85.3	0	0	0	103.6	M369	M369-F602 HydrophobicContact CE-CE1 4.38Å; M369-F602 HydrophobicContact CE-CZ 3.91Å
603	L	29.9	Very low	29.8	Very low	95 Å²	95	127.3 Å²	127.3	50%	0.497	73%	0.729	S	S	.	*			trans	82	99.2	-170.1	-72.4	72.3	0	0	0	115.3	E588	E588-L603 WeakPolarHBondContact O-CD2 3.43Å
604	N	30.1	Very low	29.8	Very low	124 Å²	124	128.9 Å²	128.9	66%	0.663	73%	0.731	S	S	*	*			trans	-162.8	142.4	130.1	-95.3	-8.2	0	0	0	108.9
605	C	29.1	Very low	30.1	Very low	77 Å²	77	134.9 Å²	134.9	52%	0.52	74%	0.743	S	S	.	*	S	Bend	trans	88.2	86.3	167.1	-143.5	0	0	0	0	117.5	E398	E398-C605 HydrophobicContact CG-CB 4.16Å; E398-C605 VanDerWaalsContact OE1-CB 3.27Å; E398-C605 WeakPolarHBondContact OE1-CB 3.46Å; E398-C605 PolarHBondContact OE1-SG 2.6Å
606	C	27.9	Very low	30.2	Very low	87 Å²	87	131 Å²	131	59%	0.588	74%	0.736	S	S	*	*				177.6	83	109.2	-122.4	0	0	0	0	111.9
607	C	27.1	Very low	30.4	Very low	87 Å²	87	130.6 Å²	130.6	59%	0.588	73%	0.734	S	S	*	*	S	Bend	trans	-146.1	82.5	164.7	-157.8	0	0	0	0	108.9	E589	E589-C607 WeakPolarHBondContact OE1-CB 3.38Å; E589-C607 PolarHBondContact OE1-SG 3.04Å
608	M	28.7	Very low	30.7	Very low	183 Å²	183	131.3 Å²	131.3	90%	0.901	73%	0.732	S	S	*	*	S	Bend	trans	-176	22.2	164.6	-108.1	-88.1	-166.9	0	0	117
609	T	30	Very low	31	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	73%	0.731	S	S	*	*	S	Bend	trans	-143	30.6	-175.6	-19.8	0	0	0	0	118.2
610	L	30.2	Very low	31.3	Very low	153 Å²	153	142 Å²	142	80%	0.801	74%	0.739	S	S	*	*	S	Bend	trans	-137.7	21.9	175.2	-113.7	135.9	0	0	0	117.5
611	L	31.3	Very low	31.6	Very low	174 Å²	174	140.4 Å²	140.4	91%	0.911	74%	0.739	S	S	*	*	S	Bend	trans	-112.3	15.8	175.5	-108.3	162.6	0	0	0	115.7
612	L	30.4	Very low	31.9	Very low	150 Å²	150	143.3 Å²	143.3	79%	0.785	76%	0.759	S	S	*	*	S	Bend	trans	-128.8	10.8	-175.4	-95.3	163.8	0	0	0	117.5
613	L	32.6	Very low	32.1	Very low	172 Å²	172	143.7 Å²	143.7	90%	0.901	77%	0.772	S	S	*	*	S	Bend	trans	-112.6	13.7	-179.9	-111.6	105.9	0	0	0	117
614	Q	34.4	Very low	32.1	Very low	195 Å²	195	144 Å²	144	91%	0.911	78%	0.782	S	S	*	*	S	Bend	trans	-117.5	7.5	178.2	-137.5	163.5	-6.9	0	0	115.8
615	E	34.8	Very low	32.4	Very low	184 Å²	184	146.6 Å²	146.6	86%	0.86	80%	0.795	S	S	*	*	S	Bend	trans	-130.6	10.8	-177.7	-88.4	-171.9	160.1	0	0	117.3	Q617	E615-Q617 PolarHBondContact O-N 3.47Å
616	T	32.1	Very low	32.6	Very low	117 Å²	117	150.3 Å²	150.3	72%	0.718	81%	0.809	S	S	*	*			trans	-104.5	61.9	176.1	56.6	0	0	0	0	113.1
617	Q	33.7	Very low	33	Very low	182 Å²	182	151.7 Å²	151.7	85%	0.85	82%	0.819	S	S	*	*	S	Bend	trans	-146	61	163.1	-91.1	-78.6	-23	0	0	108.5	E615	E615-Q617 PolarHBondContact O-N 3.47Å
618	Q	33.9	Very low	33.4	Very low	174 Å²	174	157.5 Å²	157.5	81%	0.813	83%	0.829	S	S	*	*	S	Bend	trans	174.2	131.8	152.3	-99.5	168.7	34.9	0	0	110.9
619	R	34.8	Very low	33.7	Very low	232 Å²	232	156.5 Å²	156.5	88%	0.875	82%	0.819	S	S	*	*			trans	100.9	85.5	164.3	-60.2	177.5	177.2	-173.3	-0.7	118.2
620	N	37	Very low	33.9	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	82%	0.815	S	S	*	*			trans	-10.8	136.9	135.6	-55.3	-24.4	0	0	0	116.9
621	G	34.3	Very low	34.5	Very low	70 Å²	70	161.8 Å²	161.8	72%	0.722	84%	0.838	S	S	*	*			trans	150.2	75.1	150.3	0	0	0	0	0	118.3
622	V	36.5	Very low	34.6	Very low	133 Å²	133	161.2 Å²	161.2	81%	0.806	83%	0.834	S	S	*	*				56.4	136.3	128.2	-175.9	0	0	0	0	121
623	T	36.2	Very low	34.9	Very low	126 Å²	126	161.8 Å²	161.8	77%	0.773	84%	0.836	S	S	*	*			trans	90.1	95.7	154.5	42.5	0	0	0	0	122.3
624	S	30	Very low	35	Very low	102 Å²	102	161.2 Å²	161.2	71%	0.713	83%	0.833	S	S	*	*			trans	17	131.6	132.1	67.4	0	0	0	0	121.6
625	L	36.1	Very low	35	Very low	177 Å²	177	159.2 Å²	159.2	93%	0.927	83%	0.828	S	S	*	*				-161.3	118.5	127.1	-104.6	146.7	0	0	0	110.5
626	N	33.5	Very low	35	Very low	155 Å²	155	157.7 Å²	157.7	83%	0.829	83%	0.826	S	S	*	*			trans	-73.1	140.6	171.6	-74	-34.1	0	0	0	110.8
627	C	36.2	Very low	35.2	Very low	117 Å²	117	160.4 Å²	160.4	79%	0.791	83%	0.834	S	S	*	*			trans	-152.1	99.3	145.2	-132.1	0	0	0	0	109.7
628	W	34.2	Very low	35.3	Very low	209 Å²	209	158.9 Å²	158.9	79%	0.792	83%	0.832	S	S	*	*				68.9	99	111.3	-79.2	85.7	0	0	0	114
629	F	34.8	Very low	35.4	Very low	161 Å²	161	157.7 Å²	157.7	71%	0.706	83%	0.834	S	S	*	*				78.7	104.3	96.8	-109.2	-109	0	0	0	112.1
630	Q	35.4	Very low	35.5	Very low	153 Å²	153	151.5 Å²	151.5	72%	0.715	83%	0.83	S	S	*	*				96.6	101.4	74.7	-168.6	164.4	-15.2	0	0	112.2
631	L	41.9	Very low	35.4	Very low	244 Å²	244	149.7 Å²	149.7	100%	1.277	82%	0.823	S	S	*	*			trans	-146.4	0	135.6	-113	168.8	0	0	0	107.6

Retrieved 631 of 631 residues in 318 ms (Link to these results)

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