A0A061IL27_CRIGR Loading...

Periostin

Induces cell attachment and spreading and plays a role in cell adhesion. Enhances incorporation of BMP1 in the fibronectin matrix of connective tissues, and subsequent proteolytic activation of lysyl oxidase LOX.

AlphaFold DB , UniProt , Accession A0A061IL27, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Postn, Length 836 aa.

						>A0A061IL27_CRIGR|A0A061IL27|Postn
MVPLLPLLALLLLCDLNPANANNYYDKVLAHSRIRGRDQGPNVCALQQILGTKKKYFSSCKNWYQGAICGKKTTVLYECCPGYMRMEGMKGCPAVMPIDHVYGTLGIVGATTTQHYSDVSKLREEIEGKGSYTYFAPSNEAWENLDSDIRRGLENNVNVELLNALHSHMVNKRMLTKDLKHGMVIPSMYNNLGLFINHYPNGVVTVNCARVIHGNQIATNGVVHVIDRVLTQIGTSIQDFLEAEDDLSSFRAAAITSDLLESLGRDGHFTLFAPTNEAFEKLPRGVLERIMGDKVASEALLKYHILNTLQCSEAITGGAVFETMEGNTIEIGCEGDSISINGIKMVNKKDIVTKNGVIHLIDEVLIPDSAKQVIELAGKQQTTFTDLVSQLGLASSLKPDGEYTLLAPVNNAFSDDTLSMDQRLLKLLLQNHILKVKVGLSDLYNGQILETIGGKQLRVFVYRTAICIENSCMVRGSKQGRNGAIHIFREIIQPAEKSLHDKLRQDKRFSIFLSLLEAADLKDLLTQPGDWTLFAPTNDAFKGMTNEEREILIGDKNALQNIILYHLTPGVYIGKGFEPGVTNILKTTQGSKIYLKGVNETLLVNELKSKESDIMTTNGVIHVVDKLLYPADIPVGNDQLLEILNKLIKYIQIKFVRGSTFKEIPMTVYTTKIITKLVEPKIKVIHGSLQPITKTEGPAMTKIHIEGEPDFRLIKEGETVTEVIHGEPVIKKYTKIIDGVPVEITEKQTREERIITGPEIKYTRISTGGVETGETLEKLLQKEVSKVTKYIEGGDGHLFEDEEIKRLLQGDTPAKKIQSSRRVQGSRRRSREGRSQ
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	34	Very low	248 Å²	248	146.2 Å²	146.2	100%	1.222	81%	0.813	S	S	*	*				0	128.3	0	-86.9	169.8	152.8	0	0	107.9
2	V	32.1	Very low	33.6	Very low	127 Å²	127	145.9 Å²	145.9	77%	0.77	81%	0.808	S	S	*	*			trans	-62.5	138.8	-163.2	177.6	0	0	0	0	113.5
3	P	37.8	Very low	33.4	Very low	116 Å²	116	145.7 Å²	145.7	75%	0.753	80%	0.803	S	S	*	*			trans	-92.6	123	161.9	32.3	-22.7	0	0	0	110.4	L5	P3-L5 PolarHBondContact O-N 3.29Å; P3-L5 VanDerWaalsContact O-N 3.17Å
4	L	34.8	Very low	33.6	Very low	165 Å²	165	143.8 Å²	143.8	86%	0.864	80%	0.803	S	S	*	*			trans	-69.9	100.5	170	-107.6	87.6	0	0	0	109.6
5	L	35.8	Very low	33.9	Very low	156 Å²	156	144.5 Å²	144.5	82%	0.817	80%	0.804	S	S	*	*			trans	-143.3	77.9	162.7	-114.5	141.1	0	0	0	107.9	P3	P3-L5 PolarHBondContact O-N 3.29Å; P3-L5 VanDerWaalsContact O-N 3.17Å
6	P	34.3	Very low	33.9	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	81%	0.806	S	S	*	*			trans	-148.8	81.9	134.9	35.1	-15.2	0	0	0	111.1
7	L	33.5	Very low	33.6	Very low	162 Å²	162	145.5 Å²	145.5	85%	0.848	81%	0.805	S	S	*	*	S	Bend	trans	-131.3	-6.5	161	-138.9	88.3	0	0	0	113.1
8	L	33.2	Very low	33.8	Very low	136 Å²	136	145.1 Å²	145.1	71%	0.712	81%	0.81	S	S	*	*	S	Bend	trans	-101.8	-6.9	-178.6	-135.1	78.8	0	0	0	114
9	A	30.2	Very low	33.8	Very low	71 Å²	71	141.4 Å²	141.4	59%	0.587	80%	0.801	S	S	*	*	S	Bend	trans	-91.2	-6.2	-177.4	0	0	0	0	0	114.4
10	L	32.5	Very low	33.8	Very low	167 Å²	167	141.9 Å²	141.9	87%	0.874	80%	0.801	S	S	*	*	S	Bend	trans	-92.9	-5.5	177.6	-124.5	85.8	0	0	0	114.2
11	L	34.5	Very low	34.1	Very low	153 Å²	153	139.9 Å²	139.9	80%	0.801	80%	0.802	S	S	*	*	S	Bend	trans	-103.4	0.5	179.6	-95.4	148.7	0	0	0	113.7
12	L	29.3	Very low	34.8	Very low	143 Å²	143	133.2 Å²	133.2	75%	0.749	77%	0.771	S	S	*	*	S	Bend	trans	-116.7	16.1	-174.5	-90.6	157.2	0	0	0	114.5
13	L	31.1	Very low	36.8	Very low	143 Å²	143	128.6 Å²	128.6	75%	0.749	74%	0.742	S	S	*	*	S	Bend	trans	-103.7	21	174.1	-78.9	169.6	0	0	0	113.9
14	C	35.9	Very low	39	Very low	119 Å²	119	127.9 Å²	127.9	80%	0.804	73%	0.725	S	S	*	*	S	Bend	trans	-98.5	-5.8	175.3	-82.5	0	0	0	0	115.6
15	D	39.1	Very low	41.3	Very low	154 Å²	154	120.4 Å²	120.4	82%	0.824	69%	0.686	S	S	*	*			trans	-125.7	75.6	-177.3	-73.4	-41.7	0	0	0	112.6
16	L	34.1	Very low	43.6	Very low	159 Å²	159	116.3 Å²	116.3	83%	0.832	66%	0.664	S	S	*	*			trans	-144.4	88	163.1	-80.8	173.8	0	0	0	110.8
17	N	28.8	Very low	46	Very low	147 Å²	147	116.8 Å²	116.8	79%	0.786	66%	0.656	S	S	*	*			trans	152.4	112.7	130.4	-104.6	-13.4	0	0	0	111.7	A19	N17-A19 PolarHBondContact O-N 3.39Å
18	P	36.5	Very low	48.5	Very low	138 Å²	138	109.6 Å²	109.6	90%	0.896	62%	0.619	S	S	*	*			trans	-91.5	72.1	171.2	36	-28.5	0	0	0	109.6
19	A	33.4	Very low	51.1	Low	76 Å²	76	103.8 Å²	103.8	63%	0.628	59%	0.588	S	S	*	*			trans	-157.4	69.8	173.6	0	0	0	0	0	111.5	N17	N17-A19 PolarHBondContact O-N 3.39Å
20	N	34.9	Very low	53.8	Low	150 Å²	150	102.5 Å²	102.5	80%	0.802	58%	0.578	S	S	*	*	S	Bend	trans	175.2	136.1	147.7	-93.1	-21.8	0	0	0	107.2	N22	N20-N22 PolarHBondContact O-N 3.07Å
21	A	38.8	Very low	56.5	Low	100 Å²	100	97.5 Å²	97.5	83%	0.826	55%	0.549	S	S	*	.			trans	-53.7	108.9	171.2	0	0	0	0	0	108.8	N23	A21-N23 PolarHBondContact O-N 3.23Å
22	N	51.1	Low	59.1	Low	108 Å²	108	90.2 Å²	90.2	58%	0.578	51%	0.511	S	S	*	.			trans	-61.9	113.9	-170.1	-86	-39.6	0	0	0	110.9	N20 Y24	N20-N22 PolarHBondContact O-N 3.07Å; N22-Y24 PolarHBondContact O-N 2.79Å
23	N	72.7	Confident	61.9	Low	31 Å²	31	88.1 Å²	88.1	17%	0.166	49%	0.494	C	S	.	.			trans	-71.6	95.2	170.3	-173.6	2.9	0	0	0	109.6	A21 Y25 D26 K27 K177 H198	A21-N23 PolarHBondContact O-N 3.23Å; N23-Y25 PolarHBondContact O-N 2.77Å; N23-Y25 PolarHBondContact OD1-N 3.26Å; N23-D26 HydrophobicContact CB-CB 4.2Å; N23-D26 PolarHBondContact ND2-OD1 3.12Å; N23-D26 PolarHBondContact ND2-OD2 3.02Å; N23-D26 PolarHBondContact O-N 3.08Å; N23-K27 PolarHBondContact O-N 3.16Å; N23-K177 VanDerWaalsContact ND2-CA 3.34Å; N23-K177 WeakPolarHBondContact ND2-CA 3.3Å; N23-K177 VanDerWaalsContact ND2-CB 3.28Å; N23-K177 WeakPolarHBondContact ND2-CB 3.38Å; N23-H198 PolarHBondContact OD1-NE2 3.24Å
24	Y	84.1	Confident	64.8	Low	100 Å²	100	87.1 Å²	87.1	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-31.2	-176.1	-59.1	-84.1	0	0	0	112.3	N22 K27 V28 H198 P200	N22-Y24 PolarHBondContact O-N 2.79Å; Y24-K27 PolarHBondContact O-N 3.25Å; Y24-V28 VanDerWaalsContact O-CG2 3.31Å; Y24-V28 WeakPolarHBondContact O-CG2 3.48Å; Y24-V28 PolarHBondContact O-N 3.39Å; Y24-H198 AromaticContact CD2-ND1 3.89Å; Y24-P200 HydrophobicContact CD1-CB 4.41Å; Y24-P200 WeakPolarHBondContact CD1-O 3.43Å; Y24-P200 HydrophobicContact CE1-CB 4.2Å
25	Y	83.9	Confident	67.4	Low	9 Å²	9	83.3 Å²	83.3	4%	0.035	46%	0.456	C	S	.	.	H	α-helix	trans	-63.5	-49.8	177.6	177.8	-90.5	0	0	0	111	N23 K27 V28 L29 T176 H198 G202 V204 G214	N23-Y25 PolarHBondContact O-N 2.77Å; N23-Y25 PolarHBondContact OD1-N 3.26Å; Y25-K27 VanDerWaalsContact C-N 3.27Å; Y25-K27 PolarHBondContact O-N 3.1Å; Y25-V28 PolarHBondContact O-N 3.5Å; Y25-L29 HydrophobicContact CE1-CD2 4.07Å; Y25-L29 WeakPolarHBondContact O-CB 3.5Å; Y25-L29 PolarHBondContact O-N 2.96Å; Y25-T176 HydrophobicContact CD1-CG2 4.24Å; Y25-T176 WeakPolarHBondContact CD1-OG1 3.43Å; Y25-T176 HydrophobicContact CE1-CG2 4.2Å; Y25-H198 WeakPolarHBondContact CB-NE2 3.11Å; Y25-H198 PolarHBondContact N-CE1 3.2Å; Y25-H198 PolarHBondContact N-NE2 3.14Å; Y25-G202 WeakPolarHBondContact CD2-O 3.42Å; Y25-V204 HydrophobicContact CD2-CG2 4.08Å; Y25-V204 HydrophobicContact CG-CG2 4.35Å; Y25-G214 PolarHBondContact OH-N 3.21Å
26	D	83.5	Confident	69.8	Low	69 Å²	69	76 Å²	76	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-36.3	179.4	-74.8	-9.5	0	0	0	111.6	N23 L29 A30	N23-D26 HydrophobicContact CB-CB 4.2Å; N23-D26 PolarHBondContact ND2-OD1 3.12Å; N23-D26 PolarHBondContact ND2-OD2 3.02Å; N23-D26 PolarHBondContact O-N 3.08Å; D26-L29 PolarHBondContact O-N 3.17Å; D26-A30 VanDerWaalsContact O-CB 3.3Å; D26-A30 WeakPolarHBondContact O-CB 3.13Å; D26-A30 PolarHBondContact O-N 2.91Å
27	K	85.3	Confident	72.6	Confident	118 Å²	118	77.7 Å²	77.7	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-63.2	-45.5	176.3	-164.4	175.1	-173	173.4	0	111.5	N23 Y24 Y25 A30 H31	N23-K27 PolarHBondContact O-N 3.16Å; Y24-K27 PolarHBondContact O-N 3.25Å; Y25-K27 VanDerWaalsContact C-N 3.27Å; Y25-K27 PolarHBondContact O-N 3.1Å; K27-A30 PolarHBondContact O-N 2.93Å; K27-H31 PolarHBondContact O-N 2.94Å; K27-H31 VanDerWaalsContact O-N 3.14Å
28	V	86.5	Confident	75.5	Confident	11 Å²	11	78 Å²	78	7%	0.067	41%	0.414	C	S	.	.	H	α-helix	trans	-68.9	-38.7	178.5	175.8	0	0	0	0	111.2	Y24 Y25 H31 S32 F57	Y24-V28 VanDerWaalsContact O-CG2 3.31Å; Y24-V28 WeakPolarHBondContact O-CG2 3.48Å; Y24-V28 PolarHBondContact O-N 3.39Å; Y25-V28 PolarHBondContact O-N 3.5Å; V28-H31 PolarHBondContact O-N 3Å; V28-S32 PolarHBondContact O-N 3.07Å; V28-F57 VanDerWaalsContact CG1-C 3.49Å; V28-F57 HydrophobicContact CG1-CB 3.84Å; V28-F57 VanDerWaalsContact CG1-O 3.22Å; V28-F57 WeakPolarHBondContact CG1-O 3.45Å
29	L	86.4	Confident	78.1	Confident	13 Å²	13	76 Å²	76	7%	0.068	39%	0.393	C	S	.	.	H	α-helix	trans	-65	-40.2	175.1	-174.3	63.7	0	0	0	112.2	Y25 D26 H31 S32 R33 F57 P81	Y25-L29 HydrophobicContact CE1-CD2 4.07Å; Y25-L29 WeakPolarHBondContact O-CB 3.5Å; Y25-L29 PolarHBondContact O-N 2.96Å; D26-L29 PolarHBondContact O-N 3.17Å; L29-H31 VanDerWaalsContact C-N 3.35Å; L29-H31 PolarHBondContact O-N 3.34Å; L29-S32 WeakPolarHBondContact O-CB 3.39Å; L29-S32 PolarHBondContact O-N 3.15Å; L29-R33 PolarHBondContact O-N 2.99Å; L29-F57 HydrophobicContact CD1-CD1 3.92Å; L29-F57 HydrophobicContact CD1-CE1 3.67Å; L29-F57 HydrophobicContact CD1-CG 4.49Å; L29-F57 HydrophobicContact CD1-CZ 4.06Å; L29-P81 HydrophobicContact CD1-CG 4.47Å
30	A	87	Confident	80.9	Confident	45 Å²	45	73 Å²	73	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-43.3	175	0	0	0	0	0	111.5	D26 K27 S32 R33 I34	D26-A30 VanDerWaalsContact O-CB 3.3Å; D26-A30 WeakPolarHBondContact O-CB 3.13Å; D26-A30 PolarHBondContact O-N 2.91Å; K27-A30 PolarHBondContact O-N 2.93Å; A30-S32 VanDerWaalsContact C-N 3.33Å; A30-S32 PolarHBondContact O-N 3.02Å; A30-R33 WeakPolarHBondContact O-CB 3.36Å; A30-R33 PolarHBondContact O-N 3.38Å; A30-I34 WeakPolarHBondContact O-CG1 3.22Å; A30-I34 PolarHBondContact O-N 3.22Å; A30-I34 VanDerWaalsContact O-N 3.08Å
31	H	89.1	Confident	83.6	Confident	61 Å²	61	69 Å²	69	28%	0.282	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-38.8	173.7	-67	176.7	0	0	0	112.3	K27 V28 L29 R33 I34 R35 C60	K27-H31 PolarHBondContact O-N 2.94Å; K27-H31 VanDerWaalsContact O-N 3.14Å; V28-H31 PolarHBondContact O-N 3Å; L29-H31 VanDerWaalsContact C-N 3.35Å; L29-H31 PolarHBondContact O-N 3.34Å; H31-R33 VanDerWaalsContact C-N 3.34Å; H31-R33 PolarHBondContact O-N 3.38Å; H31-I34 PolarHBondContact O-N 3.23Å; H31-R35 VanDerWaalsContact O-CG 3.3Å; H31-R35 WeakPolarHBondContact O-CG 3.31Å; H31-R35 PolarHBondContact O-N 3.46Å; H31-R35 VanDerWaalsContact O-N 3.09Å; H31-C60 PolarHBondContact ND1-SG 2.79Å
32	S	89.1	Confident	86.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-41	174.6	177	0	0	0	0	112.2	V28 L29 A30 R35 G36 C44 A45	V28-S32 PolarHBondContact O-N 3.07Å; L29-S32 WeakPolarHBondContact O-CB 3.39Å; L29-S32 PolarHBondContact O-N 3.15Å; A30-S32 VanDerWaalsContact C-N 3.33Å; A30-S32 PolarHBondContact O-N 3.02Å; S32-R35 PolarHBondContact O-N 3.25Å; S32-G36 PolarHBondContact O-N 3.08Å; S32-C44 WeakPolarHBondContact OG-CB 3.38Å; S32-A45 PolarHBondContact O-N 3.07Å; S32-A45 PolarHBondContact OG-N 3.02Å; S32-A45 PolarHBondContact OG-O 3.26Å
33	R	89.8	Confident	88.1	Confident	100 Å²	100	61.8 Å²	61.8	38%	0.377	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-44.5	173.5	-76	174.4	-179.2	177.4	2	112.5	L29 A30 H31 R35 G36 R37 C44 C80	L29-R33 PolarHBondContact O-N 2.99Å; A30-R33 WeakPolarHBondContact O-CB 3.36Å; A30-R33 PolarHBondContact O-N 3.38Å; H31-R33 VanDerWaalsContact C-N 3.34Å; H31-R33 PolarHBondContact O-N 3.38Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 3.43Å; R33-G36 PolarHBondContact O-N 3.3Å; R33-R37 PolarHBondContact O-N 3.4Å; R33-R37 VanDerWaalsContact O-N 3.12Å; R33-C44 VanDerWaalsContact CG-SG 3.59Å; R33-C80 WeakPolarHBondContact CG-SG 3.41Å
34	I	89.9	Confident	88.9	Confident	121 Å²	121	60.3 Å²	60.3	62%	0.621	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-42.7	178.5	-68.2	166.3	0	0	0	110.3	A30 H31 G36 R37	A30-I34 WeakPolarHBondContact O-CG1 3.22Å; A30-I34 PolarHBondContact O-N 3.22Å; A30-I34 VanDerWaalsContact O-N 3.08Å; H31-I34 PolarHBondContact O-N 3.23Å; I34-G36 VanDerWaalsContact C-N 3.34Å; I34-G36 PolarHBondContact O-N 3.39Å; I34-R37 WeakPolarHBondContact O-CB 3.21Å; I34-R37 PolarHBondContact O-N 2.79Å
35	R	91.6	Very high	89.3	Confident	39 Å²	39	55.6 Å²	55.6	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-28.9	178.2	-65.2	163.9	-171.2	161.7	7.1	113.6	H31 S32 R33 A45 S58 C60 W63	H31-R35 VanDerWaalsContact O-CG 3.3Å; H31-R35 WeakPolarHBondContact O-CG 3.31Å; H31-R35 PolarHBondContact O-N 3.46Å; H31-R35 VanDerWaalsContact O-N 3.09Å; S32-R35 PolarHBondContact O-N 3.25Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 3.43Å; R35-A45 HydrophobicContact CB-CB 3.75Å; R35-S58 PolarHBondContact NH1-O 3.17Å; R35-C60 VanDerWaalsContact NH2-CA 3.3Å; R35-C60 PolarHBondContact NH2-SG 3.33Å; R35-W63 HydrophobicContact CB-CZ2 4.36Å; R35-W63 HydrophobicContact CG-CZ2 4.41Å
36	G	90.1	Very high	89.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-85.5	-8.7	178.7	0	0	0	0	0	114.5	S32 R33 I34 D38 Q39	S32-G36 PolarHBondContact O-N 3.08Å; R33-G36 PolarHBondContact O-N 3.3Å; I34-G36 VanDerWaalsContact C-N 3.34Å; I34-G36 PolarHBondContact O-N 3.39Å; G36-D38 VanDerWaalsContact C-N 3.25Å; G36-D38 PolarHBondContact O-N 2.86Å; G36-D38 VanDerWaalsContact O-N 3.12Å; G36-Q39 WeakPolarHBondContact O-CB 3.38Å; G36-Q39 PolarHBondContact O-N 2.68Å
37	R	91.3	Very high	89.8	Confident	195 Å²	195	52.2 Å²	52.2	74%	0.736	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-55.1	-36.3	-169.4	-172.7	178.9	-179.2	178.6	0.1	114	R33 I34 Q39 G40	R33-R37 PolarHBondContact O-N 3.4Å; R33-R37 VanDerWaalsContact O-N 3.12Å; I34-R37 WeakPolarHBondContact O-CB 3.21Å; I34-R37 PolarHBondContact O-N 2.79Å; R37-Q39 PolarHBondContact O-N 2.82Å; R37-G40 PolarHBondContact O-N 2.89Å
38	D	90.4	Very high	90.1	Very high	153 Å²	153	48.7 Å²	48.7	82%	0.818	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-70.5	-20.3	-178.1	-62.6	-22.8	0	0	0	113.1	G36 G40	G36-D38 VanDerWaalsContact C-N 3.25Å; G36-D38 PolarHBondContact O-N 2.86Å; G36-D38 VanDerWaalsContact O-N 3.12Å; D38-G40 VanDerWaalsContact C-N 3.31Å
39	Q	92.3	Very high	90.2	Very high	96 Å²	96	48.3 Å²	48.3	45%	0.449	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-82.6	-11.3	177.3	-58.3	-59.9	-38.8	0	0	112.8	G36 R37 V43 Y77 G91	G36-Q39 WeakPolarHBondContact O-CB 3.38Å; G36-Q39 PolarHBondContact O-N 2.68Å; R37-Q39 PolarHBondContact O-N 2.82Å; Q39-V43 HydrophobicContact CB-CB 4.2Å; Q39-V43 HydrophobicContact CB-CG1 3.85Å; Q39-V43 HydrophobicContact CB-CG2 4.22Å; Q39-Y77 HydrophobicContact CB-CD1 4.45Å; Q39-Y77 HydrophobicContact CG-CD1 3.55Å; Q39-Y77 HydrophobicContact CG-CD2 3.95Å; Q39-Y77 HydrophobicContact CG-CE1 3.79Å; Q39-Y77 HydrophobicContact CG-CE2 4.18Å; Q39-Y77 HydrophobicContact CG-CG 3.62Å; Q39-G91 PolarHBondContact O-N 2.69Å
40	G	91.1	Very high	90.2	Very high	15 Å²	15	52 Å²	52	16%	0.155	26%	0.258	C	S	.	.			trans	129.2	179.3	177.7	0	0	0	0	0	113.5	R37 D38	R37-G40 PolarHBondContact O-N 2.89Å; D38-G40 VanDerWaalsContact C-N 3.31Å
41	P	91.8	Very high	90.1	Very high	66 Å²	66	54 Å²	54	43%	0.429	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	142.1	-178.9	27	-35.4	0	0	0	111.6	V43 K90 C92 P93	P41-V43 PolarHBondContact O-N 3.36Å; P41-V43 VanDerWaalsContact O-N 3.11Å; P41-K90 WeakPolarHBondContact CD-O 3.43Å; P41-C92 CarbonylContact O-C 3.34Å; P41-C92 WeakPolarHBondContact O-CA 3.49Å; P41-C92 PolarHBondContact O-N 3.04Å; P41-P93 HydrophobicContact CG-CB 4.14Å
42	N	90.9	Very high	89.9	Confident	51 Å²	51	52.9 Å²	52.9	27%	0.273	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	29.9	175.5	-43	-56.9	0	0	0	115.4	C80 Y83 C92	N42-C80 WeakPolarHBondContact O-CB 3.38Å; N42-C80 PolarHBondContact O-N 3.13Å; N42-C80 PolarHBondContact O-SG 3.21Å; N42-C80 VanDerWaalsContact O-SG 3.33Å; N42-Y83 HydrophobicContact CB-CD1 3.51Å; N42-Y83 HydrophobicContact CB-CD2 3.77Å; N42-Y83 HydrophobicContact CB-CE1 3.9Å; N42-Y83 HydrophobicContact CB-CE2 4.15Å; N42-Y83 HydrophobicContact CB-CG 3.42Å; N42-Y83 VanDerWaalsContact CB-CG 3.42Å; N42-Y83 WeakPolarHBondContact ND2-CD1 3.45Å; N42-Y83 WeakPolarHBondContact ND2-CE1 3.39Å; N42-C92 HydrophobicContact CB-CB 4.29Å; N42-C92 WeakPolarHBondContact CB-O 3.26Å; N42-C92 PolarHBondContact ND2-O 3.43Å
43	V	92.5	Very high	89.6	Confident	5 Å²	5	60 Å²	60	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.9	170.1	-177.8	0	0	0	0	109.5	Q39 P41 Y77 G91	Q39-V43 HydrophobicContact CB-CB 4.2Å; Q39-V43 HydrophobicContact CB-CG1 3.85Å; Q39-V43 HydrophobicContact CB-CG2 4.22Å; P41-V43 PolarHBondContact O-N 3.36Å; P41-V43 VanDerWaalsContact O-N 3.11Å; V43-Y77 HydrophobicContact CG1-CD1 4.18Å; V43-Y77 HydrophobicContact CG1-CG 4.48Å; V43-G91 VanDerWaalsContact CG2-CA 3.45Å
44	C	91.1	Very high	89.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.5	175.6	-84.1	0	0	0	0	109.6	S32 R33 L46 F57 E78 C80	S32-C44 WeakPolarHBondContact OG-CB 3.38Å; R33-C44 VanDerWaalsContact CG-SG 3.59Å; C44-L46 HydrophobicContact CB-CD1 4.45Å; C44-F57 HydrophobicContact CB-CE1 3.96Å; C44-E78 PolarHBondContact N-O 3.49Å; C44-E78 PolarHBondContact O-N 3.41Å; C44-C80 VanDerWaalsContact CA-SG 3.52Å; C44-C80 HydrophobicContact CB-CB 4.08Å; C44-C80 WeakPolarHBondContact CB-SG 3.42Å; C44-C80 PolarHBondContact N-SG 2.76Å; C44-C80 WeakPolarHBondContact SG-CA 3.34Å; C44-C80 WeakPolarHBondContact SG-CB 3.47Å; C44-C80 CovalentContact SG-SG 2.04Å; C44-C80 PolarHBondContact SG-SG 3.09Å
45	A	91.6	Very high	89.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.2	174.4	0	0	0	0	0	110.8	S32 R35 W63 V75 L76 Y77	S32-A45 PolarHBondContact O-N 3.07Å; S32-A45 PolarHBondContact OG-N 3.02Å; S32-A45 PolarHBondContact OG-O 3.26Å; R35-A45 HydrophobicContact CB-CB 3.75Å; A45-W63 HydrophobicContact CB-CH2 3.51Å; A45-W63 HydrophobicContact CB-CZ2 4.36Å; A45-W63 HydrophobicContact CB-CZ3 4.02Å; A45-V75 HydrophobicContact CB-CG1 4.41Å; A45-L76 CarbonylContact C-O 3.42Å; A45-L76 WeakPolarHBondContact CA-O 3.44Å; A45-Y77 HydrophobicContact CB-CD1 3.86Å; A45-Y77 HydrophobicContact CB-CE1 3.67Å
46	L	89.9	Confident	88.9	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.6	179.2	-60.4	94.4	0	0	0	109.7	C44 K55 F57 V75 L76 E78	C44-L46 HydrophobicContact CB-CD1 4.45Å; L46-K55 HydrophobicContact CD2-CB 4.18Å; L46-F57 HydrophobicContact CD1-CE1 4.19Å; L46-F57 HydrophobicContact CD2-CD1 4.22Å; L46-F57 HydrophobicContact CD2-CE1 3.8Å; L46-F57 HydrophobicContact CD2-CE2 4.15Å; L46-F57 HydrophobicContact CD2-CZ 3.76Å; L46-F57 HydrophobicContact CG-CD1 4.05Å; L46-F57 HydrophobicContact CG-CE1 3.78Å; L46-F57 HydrophobicContact CG-CZ 4.26Å; L46-V75 CarbonylContact O-C 3.53Å; L46-V75 WeakPolarHBondContact O-CA 3.32Å; L46-L76 PolarHBondContact N-O 3.35Å; L46-L76 PolarHBondContact O-N 2.99Å; L46-E78 HydrophobicContact CD1-CB 3.85Å; L46-E78 HydrophobicContact CD1-CG 4.21Å
47	Q	89	Confident	88.6	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.2	167.5	-75.4	-178.3	-58.5	0	0	109.4	K55 Y56 S58 W63 I68 T73	Q47-K55 WeakPolarHBondContact O-CA 3.32Å; Q47-Y56 PolarHBondContact N-O 3.38Å; Q47-Y56 PolarHBondContact O-N 2.82Å; Q47-S58 PolarHBondContact OE1-OG 3.26Å; Q47-W63 HydrophobicContact CG-CE3 3.71Å; Q47-W63 HydrophobicContact CG-CZ3 3.72Å; Q47-W63 PolarHBondContact NE2-O 3.27Å; Q47-I68 HydrophobicContact CB-CD1 3.99Å; Q47-T73 HydrophobicContact CB-CG2 4.22Å; Q47-T73 PolarHBondContact NE2-OG1 3.43Å
48	Q	89.8	Confident	87.9	Confident	45 Å²	45	45.6 Å²	45.6	21%	0.21	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.6	169.6	-176.2	-179	3.2	0	0	109.2	L50 T52 K54 K55 T73 T74 L76	Q48-L50 PolarHBondContact O-N 3.21Å; Q48-T52 PolarHBondContact NE2-O 3.49Å; Q48-K54 WeakPolarHBondContact CA-O 3.13Å; Q48-K55 HydrophobicContact CB-CG 4.43Å; Q48-K55 HydrophobicContact CG-CG 4.43Å; Q48-T73 CarbonylContact O-C 3.59Å; Q48-T73 WeakPolarHBondContact O-CA 3.41Å; Q48-T73 VanDerWaalsContact O-CB 3.28Å; Q48-T73 WeakPolarHBondContact O-CB 3.43Å; Q48-T74 PolarHBondContact N-O 3.47Å; Q48-T74 PolarHBondContact O-N 3.46Å; Q48-L76 HydrophobicContact CB-CD1 3.98Å; Q48-L76 HydrophobicContact CB-CG 4.27Å
49	I	89.4	Confident	87.3	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.6	175.2	-58.1	177.4	0	0	0	109	G51 T52 K54 Y56 I68 K71 T73	I49-G51 PolarHBondContact O-N 2.71Å; I49-T52 HydrophobicContact CB-CG2 4.44Å; I49-T52 WeakPolarHBondContact CB-OG1 3.4Å; I49-T52 HydrophobicContact CG2-CG2 4.13Å; I49-T52 PolarHBondContact O-N 3.26Å; I49-T52 VanDerWaalsContact O-N 3.09Å; I49-T52 PolarHBondContact O-OG1 2.75Å; I49-K54 HydrophobicContact CD1-CB 4.48Å; I49-K54 PolarHBondContact N-O 3.49Å; I49-Y56 HydrophobicContact CD1-CD2 4.43Å; I49-Y56 HydrophobicContact CD1-CE2 3.72Å; I49-Y56 HydrophobicContact CG1-CD2 4.48Å; I49-Y56 HydrophobicContact CG1-CE2 4.19Å; I49-I68 HydrophobicContact CD1-CB 4.13Å; I49-I68 HydrophobicContact CD1-CG2 3.82Å; I49-I68 HydrophobicContact CG1-CB 4.08Å; I49-I68 HydrophobicContact CG1-CG2 4.29Å; I49-K71 HydrophobicContact CG2-CB 3.58Å; I49-K71 HydrophobicContact CG2-CG 4.21Å; I49-T73 HydrophobicContact CG1-CG2 4.32Å
50	L	87.4	Confident	86.6	Confident	91 Å²	91	37.1 Å²	37.1	48%	0.476	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.5	179.2	-81.3	172.9	0	0	0	111.3	Q48 T52 K72 T74	Q48-L50 PolarHBondContact O-N 3.21Å; L50-T52 VanDerWaalsContact C-N 3.3Å; L50-K72 WeakPolarHBondContact CB-O 3.42Å; L50-K72 HydrophobicContact CD1-CB 3.72Å; L50-K72 WeakPolarHBondContact CG-O 3.4Å; L50-K72 PolarHBondContact N-O 3.26Å; L50-T74 HydrophobicContact CD2-CG2 3.48Å; L50-T74 VanDerWaalsContact CD2-CG2 3.48Å; L50-T74 HydrophobicContact CG-CG2 4.05Å
51	G	83.6	Confident	85.9	Confident	87 Å²	87	43.2 Å²	43.2	90%	0.897	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-1.3	-178.5	0	0	0	0	0	114.7	I49	I49-G51 PolarHBondContact O-N 2.71Å
52	T	84.9	Confident	85.1	Confident	36 Å²	36	40.8 Å²	40.8	22%	0.221	22%	0.222	C	C	.	.	S	Bend	trans	-126.7	166	175.2	87.7	0	0	0	0	111.3	Q48 I49 L50 K54	Q48-T52 PolarHBondContact NE2-O 3.49Å; I49-T52 HydrophobicContact CB-CG2 4.44Å; I49-T52 WeakPolarHBondContact CB-OG1 3.4Å; I49-T52 HydrophobicContact CG2-CG2 4.13Å; I49-T52 PolarHBondContact O-N 3.26Å; I49-T52 VanDerWaalsContact O-N 3.09Å; I49-T52 PolarHBondContact O-OG1 2.75Å; L50-T52 VanDerWaalsContact C-N 3.3Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-K54 PolarHBondContact OG1-N 3.26Å; T52-K54 VanDerWaalsContact OG1-N 3.15Å
53	K	83.6	Confident	84.7	Confident	151 Å²	151	40.4 Å²	40.4	66%	0.657	22%	0.217	S	C	*	.			trans	-89.4	3	172.3	-65.6	-177.2	-179.6	178	0	112.9	K55	K53-K55 PolarHBondContact O-N 3.12Å
54	K	85.1	Confident	84.2	Confident	45 Å²	45	49.3 Å²	49.3	20%	0.196	25%	0.251	C	S	.	.			trans	-75.1	124.8	-175.1	-64.5	-171	172.9	-176.2	0	111	Q48 I49 T52 Y56 E313 D336	Q48-K54 WeakPolarHBondContact CA-O 3.13Å; I49-K54 HydrophobicContact CD1-CB 4.48Å; I49-K54 PolarHBondContact N-O 3.49Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-K54 PolarHBondContact OG1-N 3.26Å; T52-K54 VanDerWaalsContact OG1-N 3.15Å; K54-Y56 HydrophobicContact CB-CE2 3.79Å; K54-E313 IonicContact NZ-OE1 3.7Å; K54-E313 PolarHBondContact NZ-OE1 3.46Å; K54-D336 WeakPolarHBondContact CE-OD1 3.24Å; K54-D336 IonicContact NZ-OD1 3.63Å; K54-D336 PolarHBondContact NZ-OD1 3.48Å
55	K	86.1	Confident	83.8	Confident	58 Å²	58	54.8 Å²	54.8	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.9	-179	-57.3	176.4	-170.1	177.3	0	110	L46 Q47 Q48 K53 L76 E78 R210	L46-K55 HydrophobicContact CD2-CB 4.18Å; Q47-K55 WeakPolarHBondContact O-CA 3.32Å; Q48-K55 HydrophobicContact CB-CG 4.43Å; Q48-K55 HydrophobicContact CG-CG 4.43Å; K53-K55 PolarHBondContact O-N 3.12Å; K55-L76 HydrophobicContact CD-CD1 4.27Å; K55-E78 IonicContact NZ-OE1 3.44Å; K55-E78 PolarHBondContact NZ-OE1 2.94Å; K55-E78 IonicContact NZ-OE2 3.78Å; K55-R210 PolarHBondContact O-NH1 3.07Å
56	Y	85.3	Confident	83.4	Confident	17 Å²	17	56.2 Å²	56.2	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.7	-179.8	-63.1	-90.6	0	0	0	111.3	Q47 I49 K54 S58 I68 E313 T316	Q47-Y56 PolarHBondContact N-O 3.38Å; Q47-Y56 PolarHBondContact O-N 2.82Å; I49-Y56 HydrophobicContact CD1-CD2 4.43Å; I49-Y56 HydrophobicContact CD1-CE2 3.72Å; I49-Y56 HydrophobicContact CG1-CD2 4.48Å; I49-Y56 HydrophobicContact CG1-CE2 4.19Å; K54-Y56 HydrophobicContact CB-CE2 3.79Å; Y56-S58 PolarHBondContact O-N 2.94Å; Y56-I68 HydrophobicContact CD2-CD1 3.82Å; Y56-I68 HydrophobicContact CE2-CG2 4.49Å; Y56-I68 HydrophobicContact CG-CD1 4.08Å; Y56-E313 PolarHBondContact OH-OE2 3.07Å; Y56-T316 HydrophobicContact CD1-CG2 4.32Å; Y56-T316 HydrophobicContact CE1-CG2 4.23Å
57	F	83.1	Confident	83.3	Confident	28 Å²	28	57.3 Å²	57.3	12%	0.123	30%	0.302	C	S	.	.			trans	-73.4	104.3	152.3	-59.4	-76.2	0	0	0	106.6	V28 L29 C44 L46 P81	V28-F57 VanDerWaalsContact CG1-C 3.49Å; V28-F57 HydrophobicContact CG1-CB 3.84Å; V28-F57 VanDerWaalsContact CG1-O 3.22Å; V28-F57 WeakPolarHBondContact CG1-O 3.45Å; L29-F57 HydrophobicContact CD1-CD1 3.92Å; L29-F57 HydrophobicContact CD1-CE1 3.67Å; L29-F57 HydrophobicContact CD1-CG 4.49Å; L29-F57 HydrophobicContact CD1-CZ 4.06Å; C44-F57 HydrophobicContact CB-CE1 3.96Å; L46-F57 HydrophobicContact CD1-CE1 4.19Å; L46-F57 HydrophobicContact CD2-CD1 4.22Å; L46-F57 HydrophobicContact CD2-CE1 3.8Å; L46-F57 HydrophobicContact CD2-CE2 4.15Å; L46-F57 HydrophobicContact CD2-CZ 3.76Å; L46-F57 HydrophobicContact CG-CD1 4.05Å; L46-F57 HydrophobicContact CG-CE1 3.78Å; L46-F57 HydrophobicContact CG-CZ 4.26Å; F57-P81 HydrophobicContact CZ-CG 4.33Å
58	S	76.6	Confident	83.2	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.028	30%	0.301	C	S	.	.			trans	-98.2	146.4	-171.1	64.7	0	0	0	0	113.2	R35 Q47 Y56	R35-S58 PolarHBondContact NH1-O 3.17Å; Q47-S58 PolarHBondContact OE1-OG 3.26Å; Y56-S58 PolarHBondContact O-N 2.94Å
59	S	78.3	Confident	83.2	Confident	24 Å²	24	55.6 Å²	55.6	17%	0.168	29%	0.294	C	S	.	.			trans	-58.6	162.2	172.6	75.6	0	0	0	0	111.4	K61 N62 W63	S59-K61 PolarHBondContact O-N 3.3Å; S59-N62 PolarHBondContact O-N 3.45Å; S59-N62 PolarHBondContact OG-N 3.29Å; S59-W63 VanDerWaalsContact O-CB 3.31Å; S59-W63 WeakPolarHBondContact O-CB 3.28Å; S59-W63 PolarHBondContact O-N 3.22Å
60	C	78.1	Confident	83	Confident	46 Å²	46	58.8 Å²	58.8	31%	0.311	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-39	175.8	-68.1	0	0	0	0	112.5	H31 R35 W63 Y64	H31-C60 PolarHBondContact ND1-SG 2.79Å; R35-C60 VanDerWaalsContact NH2-CA 3.3Å; R35-C60 PolarHBondContact NH2-SG 3.33Å; C60-W63 PolarHBondContact O-N 3.4Å; C60-Y64 HydrophobicContact CB-CD2 4.48Å; C60-Y64 HydrophobicContact CB-CE2 4.26Å; C60-Y64 WeakPolarHBondContact O-CD2 3.47Å; C60-Y64 PolarHBondContact O-N 3Å; C60-Y64 VanDerWaalsContact O-N 3.13Å
61	K	76.1	Confident	83.1	Confident	143 Å²	143	59.2 Å²	59.2	62%	0.622	33%	0.326	S	S	*	.	H	α-helix	trans	-58	-53.9	177.9	-174.4	-178.4	177.4	-173.7	0	111.1	S59 W63 Q65	S59-K61 PolarHBondContact O-N 3.3Å; K61-W63 VanDerWaalsContact C-N 3.33Å; K61-W63 PolarHBondContact O-N 2.99Å; K61-Q65 WeakPolarHBondContact O-CG 3.32Å; K61-Q65 PolarHBondContact O-N 3.24Å
62	N	75.7	Confident	83.5	Confident	16 Å²	16	62.8 Å²	62.8	9%	0.086	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-34.2	-178.2	-64.8	4.3	0	0	0	111.7	S59 Q65 G66 T316	S59-N62 PolarHBondContact O-N 3.45Å; S59-N62 PolarHBondContact OG-N 3.29Å; N62-Q65 PolarHBondContact O-N 3.3Å; N62-G66 PolarHBondContact O-N 3.36Å; N62-T316 PolarHBondContact ND2-OG1 2.9Å; N62-T316 VanDerWaalsContact ND2-OG1 3.15Å
63	W	81.8	Confident	83.8	Confident	43 Å²	43	62 Å²	62	16%	0.163	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-52.5	177.3	-175.2	-88.4	0	0	0	112.1	R35 A45 Q47 S59 C60 K61 Q65 G66 V75	R35-W63 HydrophobicContact CB-CZ2 4.36Å; R35-W63 HydrophobicContact CG-CZ2 4.41Å; A45-W63 HydrophobicContact CB-CH2 3.51Å; A45-W63 HydrophobicContact CB-CZ2 4.36Å; A45-W63 HydrophobicContact CB-CZ3 4.02Å; Q47-W63 HydrophobicContact CG-CE3 3.71Å; Q47-W63 HydrophobicContact CG-CZ3 3.72Å; Q47-W63 PolarHBondContact NE2-O 3.27Å; S59-W63 VanDerWaalsContact O-CB 3.31Å; S59-W63 WeakPolarHBondContact O-CB 3.28Å; S59-W63 PolarHBondContact O-N 3.22Å; C60-W63 PolarHBondContact O-N 3.4Å; K61-W63 VanDerWaalsContact C-N 3.33Å; K61-W63 PolarHBondContact O-N 2.99Å; W63-Q65 VanDerWaalsContact C-N 3.3Å; W63-Q65 PolarHBondContact O-N 3.49Å; W63-G66 PolarHBondContact O-N 2.88Å; W63-G66 VanDerWaalsContact O-N 3.15Å; W63-V75 HydrophobicContact CH2-CB 4.21Å; W63-V75 HydrophobicContact CH2-CG1 3.53Å; W63-V75 HydrophobicContact CH2-CG2 3.64Å; W63-V75 HydrophobicContact CZ2-CG1 4.11Å; W63-V75 HydrophobicContact CZ2-CG2 3.8Å; W63-V75 HydrophobicContact CZ3-CG2 4.36Å
64	Y	82.4	Confident	84.2	Confident	191 Å²	191	57.6 Å²	57.6	75%	0.749	30%	0.298	S	S	*	.	H	α-helix	trans	-71.2	-24.5	-178.8	-68.6	-61.9	0	0	0	113.5	C60 G66	C60-Y64 HydrophobicContact CB-CD2 4.48Å; C60-Y64 HydrophobicContact CB-CE2 4.26Å; C60-Y64 WeakPolarHBondContact O-CD2 3.47Å; C60-Y64 PolarHBondContact O-N 3Å; C60-Y64 VanDerWaalsContact O-N 3.13Å; Y64-G66 PolarHBondContact O-N 3.5Å
65	Q	81.3	Confident	84.5	Confident	115 Å²	115	58.3 Å²	58.3	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-24.8	172	-75.6	176.1	-20.5	0	0	112.7	K61 N62 W63 A67	K61-Q65 WeakPolarHBondContact O-CG 3.32Å; K61-Q65 PolarHBondContact O-N 3.24Å; N62-Q65 PolarHBondContact O-N 3.3Å; W63-Q65 VanDerWaalsContact C-N 3.3Å; W63-Q65 PolarHBondContact O-N 3.49Å; Q65-A67 PolarHBondContact O-N 3.05Å; Q65-A67 VanDerWaalsContact O-N 3.16Å
66	G	84.3	Confident	84.7	Confident	30 Å²	30	57.8 Å²	57.8	31%	0.309	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	15.1	-179.9	0	0	0	0	0	114.2	N62 W63 Y64 T73	N62-G66 PolarHBondContact O-N 3.36Å; W63-G66 PolarHBondContact O-N 2.88Å; W63-G66 VanDerWaalsContact O-N 3.15Å; Y64-G66 PolarHBondContact O-N 3.5Å; G66-T73 PolarHBondContact O-N 3Å; G66-T73 PolarHBondContact O-OG1 3.47Å
67	A	87.4	Confident	85	Confident	28 Å²	28	61 Å²	61	23%	0.231	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.1	-179.1	0	0	0	0	0	110.7	Q65 K71	Q65-A67 PolarHBondContact O-N 3.05Å; Q65-A67 VanDerWaalsContact O-N 3.16Å; A67-K71 CarbonylContact C-O 3.56Å; A67-K71 WeakPolarHBondContact CA-O 3.41Å; A67-K71 WeakPolarHBondContact CB-O 3.42Å
68	I	87.7	Confident	85.4	Confident	2 Å²	2	62 Å²	62	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.5	171.7	-64	174.2	0	0	0	106.1	Q47 I49 Y56 G70 K71 T73 T316	Q47-I68 HydrophobicContact CB-CD1 3.99Å; I49-I68 HydrophobicContact CD1-CB 4.13Å; I49-I68 HydrophobicContact CD1-CG2 3.82Å; I49-I68 HydrophobicContact CG1-CB 4.08Å; I49-I68 HydrophobicContact CG1-CG2 4.29Å; Y56-I68 HydrophobicContact CD2-CD1 3.82Å; Y56-I68 HydrophobicContact CE2-CG2 4.49Å; Y56-I68 HydrophobicContact CG-CD1 4.08Å; I68-G70 VanDerWaalsContact C-N 3.28Å; I68-G70 PolarHBondContact O-N 3.35Å; I68-K71 PolarHBondContact N-O 2.9Å; I68-K71 PolarHBondContact O-N 3.27Å; I68-T73 HydrophobicContact CB-CG2 3.97Å; I68-T73 HydrophobicContact CD1-CG2 3.95Å; I68-T73 HydrophobicContact CG1-CG2 3.77Å; I68-T316 HydrophobicContact CG2-CG2 4.33Å
69	C	88.4	Confident	86	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.061	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	47	-175.9	-59.7	0	0	0	0	113.3	K71 T316 C333 E334 G335	C69-K71 PolarHBondContact O-N 3.46Å; C69-T316 PolarHBondContact N-O 2.95Å; C69-C333 CarbonylContact C-O 3.53Å; C69-C333 VanDerWaalsContact C-O 3.23Å; C69-C333 WeakPolarHBondContact CA-O 2.89Å; C69-C333 WeakPolarHBondContact CA-SG 3.45Å; C69-C333 HydrophobicContact CB-CB 3.61Å; C69-C333 WeakPolarHBondContact CB-O 3.18Å; C69-C333 WeakPolarHBondContact CB-SG 3.42Å; C69-C333 WeakPolarHBondContact SG-CB 3.15Å; C69-C333 CovalentContact SG-SG 2.02Å; C69-C333 PolarHBondContact SG-SG 2.99Å; C69-E334 CarbonylContact O-C 3.3Å; C69-E334 VanDerWaalsContact O-CA 3.27Å; C69-E334 WeakPolarHBondContact O-CA 3.23Å; C69-G335 WeakPolarHBondContact CB-O 3.44Å; C69-G335 PolarHBondContact O-N 3.47Å
70	G	86.4	Confident	86.4	Confident	71 Å²	71	62.3 Å²	62.3	73%	0.732	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-4.2	-179.8	0	0	0	0	0	115.8	I68	I68-G70 VanDerWaalsContact C-N 3.28Å; I68-G70 PolarHBondContact O-N 3.35Å
71	K	89.7	Confident	86.6	Confident	100 Å²	100	60.9 Å²	60.9	44%	0.435	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.6	179	-65.4	-69.7	-178.3	178.4	0	109.9	I49 A67 I68 C69	I49-K71 HydrophobicContact CG2-CB 3.58Å; I49-K71 HydrophobicContact CG2-CG 4.21Å; A67-K71 CarbonylContact C-O 3.56Å; A67-K71 WeakPolarHBondContact CA-O 3.41Å; A67-K71 WeakPolarHBondContact CB-O 3.42Å; I68-K71 PolarHBondContact N-O 2.9Å; I68-K71 PolarHBondContact O-N 3.27Å; C69-K71 PolarHBondContact O-N 3.46Å
72	K	91.3	Very high	86.9	Confident	161 Å²	161	55 Å²	55	70%	0.7	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	145.3	173.5	-77.4	-174.5	-178.8	-176.7	0	110.3	L50	L50-K72 WeakPolarHBondContact CB-O 3.42Å; L50-K72 HydrophobicContact CD1-CB 3.72Å; L50-K72 WeakPolarHBondContact CG-O 3.4Å; L50-K72 PolarHBondContact N-O 3.26Å
73	T	90.9	Very high	87.4	Confident	21 Å²	21	57.2 Å²	57.2	13%	0.129	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.5	178.6	59.8	0	0	0	0	111.7	Q47 Q48 I49 G66 I68	Q47-T73 HydrophobicContact CB-CG2 4.22Å; Q47-T73 PolarHBondContact NE2-OG1 3.43Å; Q48-T73 CarbonylContact O-C 3.59Å; Q48-T73 WeakPolarHBondContact O-CA 3.41Å; Q48-T73 VanDerWaalsContact O-CB 3.28Å; Q48-T73 WeakPolarHBondContact O-CB 3.43Å; I49-T73 HydrophobicContact CG1-CG2 4.32Å; G66-T73 PolarHBondContact O-N 3Å; G66-T73 PolarHBondContact O-OG1 3.47Å; I68-T73 HydrophobicContact CB-CG2 3.97Å; I68-T73 HydrophobicContact CD1-CG2 3.95Å; I68-T73 HydrophobicContact CG1-CG2 3.77Å
74	T	91.9	Very high	87.6	Confident	57 Å²	57	58.9 Å²	58.9	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.4	167.1	46.8	0	0	0	0	109.5	Q48 L50	Q48-T74 PolarHBondContact N-O 3.47Å; Q48-T74 PolarHBondContact O-N 3.46Å; L50-T74 HydrophobicContact CD2-CG2 3.48Å; L50-T74 VanDerWaalsContact CD2-CG2 3.48Å; L50-T74 HydrophobicContact CG-CG2 4.05Å
75	V	91.6	Very high	88	Confident	60 Å²	60	57.2 Å²	57.2	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.9	174.8	175.9	0	0	0	0	109.3	A45 L46 W63 Y77	A45-V75 HydrophobicContact CB-CG1 4.41Å; L46-V75 CarbonylContact O-C 3.53Å; L46-V75 WeakPolarHBondContact O-CA 3.32Å; W63-V75 HydrophobicContact CH2-CB 4.21Å; W63-V75 HydrophobicContact CH2-CG1 3.53Å; W63-V75 HydrophobicContact CH2-CG2 3.64Å; W63-V75 HydrophobicContact CZ2-CG1 4.11Å; W63-V75 HydrophobicContact CZ2-CG2 3.8Å; W63-V75 HydrophobicContact CZ3-CG2 4.36Å; V75-Y77 HydrophobicContact CG1-CD2 4.33Å; V75-Y77 HydrophobicContact CG1-CE1 4.12Å; V75-Y77 HydrophobicContact CG1-CE2 3.77Å
76	L	90.9	Very high	88.4	Confident	48 Å²	48	55.7 Å²	55.7	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.7	170.5	-70.9	-176.8	0	0	0	110.4	A45 L46 Q48 K55	A45-L76 CarbonylContact C-O 3.42Å; A45-L76 WeakPolarHBondContact CA-O 3.44Å; L46-L76 PolarHBondContact N-O 3.35Å; L46-L76 PolarHBondContact O-N 2.99Å; Q48-L76 HydrophobicContact CB-CD1 3.98Å; Q48-L76 HydrophobicContact CB-CG 4.27Å; K55-L76 HydrophobicContact CD-CD1 4.27Å
77	Y	91.4	Very high	88.7	Confident	84 Å²	84	63.9 Å²	63.9	33%	0.329	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	109.7	176	-64.8	-77.7	0	0	0	109.9	Q39 V43 A45 V75 R85	Q39-Y77 HydrophobicContact CB-CD1 4.45Å; Q39-Y77 HydrophobicContact CG-CD1 3.55Å; Q39-Y77 HydrophobicContact CG-CD2 3.95Å; Q39-Y77 HydrophobicContact CG-CE1 3.79Å; Q39-Y77 HydrophobicContact CG-CE2 4.18Å; Q39-Y77 HydrophobicContact CG-CG 3.62Å; V43-Y77 HydrophobicContact CG1-CD1 4.18Å; V43-Y77 HydrophobicContact CG1-CG 4.48Å; A45-Y77 HydrophobicContact CB-CD1 3.86Å; A45-Y77 HydrophobicContact CB-CE1 3.67Å; V75-Y77 HydrophobicContact CG1-CD2 4.33Å; V75-Y77 HydrophobicContact CG1-CE1 4.12Å; V75-Y77 HydrophobicContact CG1-CE2 3.77Å; Y77-R85 PolarHBondContact O-NH2 2.93Å
78	E	90.3	Very high	88.8	Confident	49 Å²	49	66.7 Å²	66.7	23%	0.229	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	164.2	-177.9	-63.1	-177.1	171.3	0	0	109.9	C44 L46 K55 C80	C44-E78 PolarHBondContact N-O 3.49Å; C44-E78 PolarHBondContact O-N 3.41Å; L46-E78 HydrophobicContact CD1-CB 3.85Å; L46-E78 HydrophobicContact CD1-CG 4.21Å; K55-E78 IonicContact NZ-OE1 3.44Å; K55-E78 PolarHBondContact NZ-OE1 2.94Å; K55-E78 IonicContact NZ-OE2 3.78Å; E78-C80 PolarHBondContact O-N 3.31Å
79	C	89.4	Confident	89	Confident	34 Å²	34	71.7 Å²	71.7	23%	0.23	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.6	172.5	-61.6	0	0	0	0	109.9	Y83 R85 C92	C79-Y83 WeakPolarHBondContact CB-O 3.36Å; C79-R85 WeakPolarHBondContact SG-CG 3.44Å; C79-C92 WeakPolarHBondContact CA-SG 3.4Å; C79-C92 HydrophobicContact CB-CB 3.68Å; C79-C92 WeakPolarHBondContact CB-SG 3.5Å; C79-C92 WeakPolarHBondContact SG-CB 3.5Å; C79-C92 CovalentContact SG-SG 2.03Å; C79-C92 PolarHBondContact SG-SG 3.48Å
80	C	87.2	Confident	89.1	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.007	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-60.2	152.9	170.9	-65.3	0	0	0	0	110.4	R33 N42 C44 E78 G82 Y83	R33-C80 WeakPolarHBondContact CG-SG 3.41Å; N42-C80 WeakPolarHBondContact O-CB 3.38Å; N42-C80 PolarHBondContact O-N 3.13Å; N42-C80 PolarHBondContact O-SG 3.21Å; N42-C80 VanDerWaalsContact O-SG 3.33Å; C44-C80 VanDerWaalsContact CA-SG 3.52Å; C44-C80 HydrophobicContact CB-CB 4.08Å; C44-C80 WeakPolarHBondContact CB-SG 3.42Å; C44-C80 PolarHBondContact N-SG 2.76Å; C44-C80 WeakPolarHBondContact SG-CA 3.34Å; C44-C80 WeakPolarHBondContact SG-CB 3.47Å; C44-C80 CovalentContact SG-SG 2.04Å; C44-C80 PolarHBondContact SG-SG 3.09Å; E78-C80 PolarHBondContact O-N 3.31Å; C80-G82 PolarHBondContact O-N 3.42Å; C80-Y83 HydrophobicContact CB-CD2 4.22Å; C80-Y83 PolarHBondContact O-N 3.4Å
81	P	82.5	Confident	89.4	Confident	15 Å²	15	77 Å²	77	10%	0.097	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	129.9	175.2	-27.4	34.9	0	0	0	111.7	L29 F57 G214	L29-P81 HydrophobicContact CD1-CG 4.47Å; F57-P81 HydrophobicContact CZ-CG 4.33Å; P81-G214 WeakPolarHBondContact CB-O 3.31Å
82	G	82.1	Confident	89.6	Confident	19 Å²	19	72.3 Å²	72.3	20%	0.196	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	1.3	-175.9	0	0	0	0	0	116.7	C80 V95 M96 Q216	C80-G82 PolarHBondContact O-N 3.42Å; G82-V95 WeakPolarHBondContact O-CA 3.33Å; G82-V95 WeakPolarHBondContact O-CG1 3.29Å; G82-M96 PolarHBondContact O-N 3.1Å; G82-Q216 VanDerWaalsContact N-OE1 3.16Å
83	Y	87.4	Confident	89.6	Confident	63 Å²	63	66.9 Å²	66.9	25%	0.247	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.5	-179.1	-63.9	-91.8	0	0	0	112.8	N42 C79 C80 A94 V95	N42-Y83 HydrophobicContact CB-CD1 3.51Å; N42-Y83 HydrophobicContact CB-CD2 3.77Å; N42-Y83 HydrophobicContact CB-CE1 3.9Å; N42-Y83 HydrophobicContact CB-CE2 4.15Å; N42-Y83 HydrophobicContact CB-CG 3.42Å; N42-Y83 VanDerWaalsContact CB-CG 3.42Å; N42-Y83 WeakPolarHBondContact ND2-CD1 3.45Å; N42-Y83 WeakPolarHBondContact ND2-CE1 3.39Å; C79-Y83 WeakPolarHBondContact CB-O 3.36Å; C80-Y83 HydrophobicContact CB-CD2 4.22Å; C80-Y83 PolarHBondContact O-N 3.4Å; Y83-A94 CarbonylContact C-O 3.52Å; Y83-A94 VanDerWaalsContact CA-O 3.28Å; Y83-A94 WeakPolarHBondContact CA-O 3.49Å; Y83-V95 HydrophobicContact CD1-CG2 4.14Å; Y83-V95 HydrophobicContact CE1-CG2 3.81Å
84	M	86.1	Confident	89.4	Confident	78 Å²	78	66.8 Å²	66.8	38%	0.384	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.9	178.8	66.6	-178.5	-67.1	0	0	112.5	C92 A94 M96	M84-C92 CarbonylContact O-C 3.55Å; M84-C92 VanDerWaalsContact O-CA 3.23Å; M84-C92 WeakPolarHBondContact O-CA 3.45Å; M84-A94 HydrophobicContact CG-CB 3.74Å; M84-A94 PolarHBondContact N-O 2.89Å; M84-A94 PolarHBondContact O-N 2.93Å; M84-M96 HydrophobicContact CB-CG 4.09Å
85	R	90.5	Very high	89.1	Confident	156 Å²	156	68.7 Å²	68.7	59%	0.589	37%	0.365	S	S	*	.			trans	-77.4	150.1	174.9	-57.8	-169.1	178.2	-163	-0.3	110.1	Y77 C79	Y77-R85 PolarHBondContact O-NH2 2.93Å; C79-R85 WeakPolarHBondContact SG-CG 3.44Å
86	M	89.8	Confident	88.6	Confident	84 Å²	84	67.6 Å²	67.6	41%	0.414	36%	0.356	S	S	.	.			trans	-118.9	142.7	166.5	-65.4	-146.9	-56.6	0	0	109.6	G88 M89 P93 A94	M86-G88 PolarHBondContact O-N 3.13Å; M86-M89 HydrophobicContact CB-CB 4.4Å; M86-M89 HydrophobicContact CB-CG 4.36Å; M86-M89 HydrophobicContact CB-SD 4.33Å; M86-M89 HydrophobicContact CE-CE 3.58Å; M86-M89 HydrophobicContact CE-SD 3.42Å; M86-M89 WeakPolarHBondContact CE-SD 3.34Å; M86-M89 PolarHBondContact O-N 3.26Å; M86-M89 VanDerWaalsContact O-N 3.13Å; M86-P93 HydrophobicContact CB-CG 4.31Å; M86-P93 HydrophobicContact CG-CG 4.33Å; M86-A94 HydrophobicContact CG-CB 3.6Å; M86-A94 HydrophobicContact SD-CB 3.87Å
87	E	90	Very high	88.2	Confident	202 Å²	202	69.2 Å²	69.2	94%	0.944	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	134.4	-179.6	-164	175	-176.8	0	0	110.8	M89	E87-M89 PolarHBondContact O-N 3.03Å
88	G	89.6	Confident	87.9	Confident	87 Å²	87	70.8 Å²	70.8	90%	0.897	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-3.5	-177.6	0	0	0	0	0	116.1	M86	M86-G88 PolarHBondContact O-N 3.13Å
89	M	91.9	Very high	88	Confident	107 Å²	107	71.3 Å²	71.3	53%	0.527	39%	0.387	S	S	.	.			trans	-108.1	145.1	178.7	-60.2	-164.8	-178.5	0	0	112.8	M86 E87 P93	M86-M89 HydrophobicContact CB-CB 4.4Å; M86-M89 HydrophobicContact CB-CG 4.36Å; M86-M89 HydrophobicContact CB-SD 4.33Å; M86-M89 HydrophobicContact CE-CE 3.58Å; M86-M89 HydrophobicContact CE-SD 3.42Å; M86-M89 WeakPolarHBondContact CE-SD 3.34Å; M86-M89 PolarHBondContact O-N 3.26Å; M86-M89 VanDerWaalsContact O-N 3.13Å; E87-M89 PolarHBondContact O-N 3.03Å; M89-P93 HydrophobicContact CB-CG 3.85Å; M89-P93 HydrophobicContact CG-CG 4.45Å; M89-P93 HydrophobicContact SD-CB 4.37Å; M89-P93 HydrophobicContact SD-CG 3.79Å
90	K	91.4	Very high	88.4	Confident	180 Å²	180	71.7 Å²	71.7	78%	0.783	39%	0.385	S	S	*	.	S	Bend	trans	-76.5	143.4	174.2	-71.1	-172.8	176.9	-176.8	0	111.2	P41	P41-K90 WeakPolarHBondContact CD-O 3.43Å
91	G	91.7	Very high	88.9	Confident	12 Å²	12	71.7 Å²	71.7	12%	0.124	39%	0.385	C	S	.	.	S	Bend	trans	69.3	-143.9	178.5	0	0	0	0	0	114	Q39 V43 P93	Q39-G91 PolarHBondContact O-N 2.69Å; V43-G91 VanDerWaalsContact CG2-CA 3.45Å; G91-P93 WeakPolarHBondContact O-CD 3.43Å
92	C	93.3	Very high	89.6	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.385	C	S	.	.			trans	-127	70.9	-176.6	-53.8	0	0	0	0	110.2	P41 N42 C79 M84 A94	P41-C92 CarbonylContact O-C 3.34Å; P41-C92 WeakPolarHBondContact O-CA 3.49Å; P41-C92 PolarHBondContact O-N 3.04Å; N42-C92 HydrophobicContact CB-CB 4.29Å; N42-C92 WeakPolarHBondContact CB-O 3.26Å; N42-C92 PolarHBondContact ND2-O 3.43Å; C79-C92 WeakPolarHBondContact CA-SG 3.4Å; C79-C92 HydrophobicContact CB-CB 3.68Å; C79-C92 WeakPolarHBondContact CB-SG 3.5Å; C79-C92 WeakPolarHBondContact SG-CB 3.5Å; C79-C92 CovalentContact SG-SG 2.03Å; C79-C92 PolarHBondContact SG-SG 3.48Å; M84-C92 CarbonylContact O-C 3.55Å; M84-C92 VanDerWaalsContact O-CA 3.23Å; M84-C92 WeakPolarHBondContact O-CA 3.45Å; C92-A94 VanDerWaalsContact C-N 3.29Å; C92-A94 PolarHBondContact O-N 3.16Å
93	P	91	Very high	90.2	Very high	47 Å²	47	71.6 Å²	71.6	31%	0.305	38%	0.38	S	S	.	.			trans	-74	-20	-172.6	31.1	-36.3	0	0	0	113.3	P41 M86 M89 G91	P41-P93 HydrophobicContact CG-CB 4.14Å; M86-P93 HydrophobicContact CB-CG 4.31Å; M86-P93 HydrophobicContact CG-CG 4.33Å; M89-P93 HydrophobicContact CB-CG 3.85Å; M89-P93 HydrophobicContact CG-CG 4.45Å; M89-P93 HydrophobicContact SD-CB 4.37Å; M89-P93 HydrophobicContact SD-CG 3.79Å; G91-P93 WeakPolarHBondContact O-CD 3.43Å
94	A	87.5	Confident	90.6	Very high	19 Å²	19	68.8 Å²	68.8	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.2	-178.8	0	0	0	0	0	111.4	Y83 M84 M86 C92	Y83-A94 CarbonylContact C-O 3.52Å; Y83-A94 VanDerWaalsContact CA-O 3.28Å; Y83-A94 WeakPolarHBondContact CA-O 3.49Å; M84-A94 HydrophobicContact CG-CB 3.74Å; M84-A94 PolarHBondContact N-O 2.89Å; M84-A94 PolarHBondContact O-N 2.93Å; M86-A94 HydrophobicContact CG-CB 3.6Å; M86-A94 HydrophobicContact SD-CB 3.87Å; C92-A94 VanDerWaalsContact C-N 3.29Å; C92-A94 PolarHBondContact O-N 3.16Å
95	V	85.6	Confident	91.1	Very high	97 Å²	97	65 Å²	65	59%	0.588	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	139.6	166.5	-177.5	0	0	0	0	107.5	G82 Y83	G82-V95 WeakPolarHBondContact O-CA 3.33Å; G82-V95 WeakPolarHBondContact O-CG1 3.29Å; Y83-V95 HydrophobicContact CD1-CG2 4.14Å; Y83-V95 HydrophobicContact CE1-CG2 3.81Å
96	M	81.4	Confident	91.2	Very high	38 Å²	38	59 Å²	59	19%	0.187	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-59.5	139.5	174.3	-68.7	-177.7	107.1	0	0	109.8	G82 M84 I98 I107	G82-M96 PolarHBondContact O-N 3.1Å; M84-M96 HydrophobicContact CB-CG 4.09Å; M96-I98 PolarHBondContact O-N 3.29Å; M96-I107 HydrophobicContact CB-CG2 4.28Å; M96-I107 HydrophobicContact CE-CB 4.49Å; M96-I107 HydrophobicContact CE-CG2 3.19Å; M96-I107 WeakPolarHBondContact CE-O 3.49Å; M96-I107 HydrophobicContact CG-CG2 4.47Å; M96-I107 HydrophobicContact SD-CG2 3.88Å
97	P	81.4	Confident	91.3	Very high	82 Å²	82	57.2 Å²	57.2	53%	0.532	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-58.4	136	175	25.1	-32	0	0	0	109.1	I107	P97-I107 HydrophobicContact CG-CD1 4.2Å; P97-I107 WeakPolarHBondContact O-CD1 3.25Å
98	I	86.1	Confident	91.3	Very high	116 Å²	116	48.8 Å²	48.8	60%	0.595	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-80.1	129.8	170.3	55.1	173.6	0	0	0	107.9	M96 T219	M96-I98 PolarHBondContact O-N 3.29Å; I98-T219 HydrophobicContact CB-CG2 4.35Å; I98-T219 HydrophobicContact CD1-CG2 4.32Å; I98-T219 HydrophobicContact CG1-CG2 4.27Å
99	D	93.1	Very high	91.4	Very high	60 Å²	60	46.4 Å²	46.4	32%	0.321	27%	0.266	S	S	.	.			trans	-129.2	174.3	173.6	-156.8	-9.4	0	0	0	108.6	G103 T104 I107 A218 T219	D99-G103 WeakPolarHBondContact OD2-CA 3.47Å; D99-T104 PolarHBondContact O-OG1 3.23Å; D99-I107 HydrophobicContact CB-CD1 3.97Å; D99-A218 CarbonylContact O-C 3.49Å; D99-A218 WeakPolarHBondContact O-CA 3.48Å; D99-A218 VanDerWaalsContact O-CB 3.24Å; D99-A218 WeakPolarHBondContact O-CB 3.27Å; D99-T219 PolarHBondContact O-N 3.44Å; D99-T219 PolarHBondContact O-OG1 2.93Å
100	H	96.4	Very high	91.6	Very high	43 Å²	43	41.3 Å²	41.3	20%	0.199	24%	0.241	C	C	.	.			trans	-61	165.8	166.6	48.5	65.8	0	0	0	111	Y102 G103 T104 E127 T219 N220	H100-Y102 PolarHBondContact O-N 2.87Å; H100-G103 PolarHBondContact CE1-N 3.01Å; H100-G103 PolarHBondContact ND1-N 3.31Å; H100-G103 VanDerWaalsContact ND1-N 3.13Å; H100-G103 PolarHBondContact O-N 3.44Å; H100-G103 VanDerWaalsContact O-N 3.07Å; H100-T104 PolarHBondContact O-N 3.35Å; H100-T104 PolarHBondContact O-OG1 3.19Å; H100-E127 IonicContact CE1-OE1 2.75Å; H100-E127 IonicContact NE2-OE1 3.92Å; H100-T219 VanDerWaalsContact CA-OG1 3.22Å; H100-T219 WeakPolarHBondContact CA-OG1 3.24Å; H100-T219 PolarHBondContact N-OG1 2.86Å; H100-N220 WeakPolarHBondContact CA-OD1 3.13Å
101	V	97.3	Very high	91.9	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54.6	-42	-174.3	164.5	0	0	0	0	111.3	G103 T104 L105 I126 Y134 A218 N220 V223	V101-G103 PolarHBondContact O-N 3.39Å; V101-T104 WeakPolarHBondContact O-CB 3.33Å; V101-T104 PolarHBondContact O-N 2.76Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 2.93Å; V101-L105 VanDerWaalsContact O-N 3.12Å; V101-I126 HydrophobicContact CB-CB 4.16Å; V101-I126 HydrophobicContact CG1-CB 4.12Å; V101-I126 HydrophobicContact CG1-CD1 4.31Å; V101-I126 HydrophobicContact CG1-CG2 4.38Å; V101-I126 PolarHBondContact N-O 3.43Å; V101-Y134 HydrophobicContact CG1-CD1 3.71Å; V101-Y134 HydrophobicContact CG1-CG 4.29Å; V101-A218 HydrophobicContact CB-CB 4.41Å; V101-A218 HydrophobicContact CG2-CB 3.65Å; V101-N220 WeakPolarHBondContact CG2-OD1 3.24Å; V101-N220 PolarHBondContact N-OD1 3.2Å; V101-V223 HydrophobicContact CG1-CG2 4.12Å
102	Y	97.9	Very high	92.2	Very high	23 Å²	23	36.9 Å²	36.9	9%	0.09	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-46.7	175.9	179.2	-98.2	0	0	0	114.1	H100 T104 L105 Q114 D118 R123 I126 E127	H100-Y102 PolarHBondContact O-N 2.87Å; Y102-T104 VanDerWaalsContact C-N 3.3Å; Y102-L105 WeakPolarHBondContact O-CB 3.39Å; Y102-L105 PolarHBondContact O-N 3.42Å; Y102-Q114 HydrophobicContact CD2-CG 4.06Å; Y102-Q114 HydrophobicContact CE1-CG 4.13Å; Y102-Q114 HydrophobicContact CE2-CG 3.59Å; Y102-Q114 VanDerWaalsContact CE2-O 3.3Å; Y102-Q114 WeakPolarHBondContact CE2-O 3.17Å; Y102-Q114 PolarHBondContact O-NE2 3.46Å; Y102-Q114 VanDerWaalsContact O-NE2 3.11Å; Y102-D118 HydrophobicContact CE2-CB 4.09Å; Y102-R123 HydrophobicContact CD1-CG 4.16Å; Y102-R123 HydrophobicContact CD2-CB 4Å; Y102-R123 HydrophobicContact CD2-CG 3.75Å; Y102-R123 HydrophobicContact CE1-CG 4.27Å; Y102-R123 HydrophobicContact CE2-CB 4.03Å; Y102-R123 HydrophobicContact CE2-CG 3.83Å; Y102-R123 HydrophobicContact CG-CG 3.92Å; Y102-R123 PolarHBondContact OH-NH1 3.4Å; Y102-I126 HydrophobicContact CD2-CD1 4.05Å; Y102-I126 HydrophobicContact CG-CD1 4.41Å; Y102-E127 HydrophobicContact CD1-CG 4.37Å; Y102-E127 VanDerWaalsContact CD1-OE1 3.3Å; Y102-E127 WeakPolarHBondContact CD1-OE1 3.41Å; Y102-E127 HydrophobicContact CG-CG 4.3Å
103	G	95.8	Very high	92.4	Very high	9 Å²	9	36.9 Å²	36.9	9%	0.093	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-36.4	179.3	0	0	0	0	0	111.1	D99 H100 V101 L105 G106 I107	D99-G103 WeakPolarHBondContact OD2-CA 3.47Å; H100-G103 PolarHBondContact CE1-N 3.01Å; H100-G103 PolarHBondContact ND1-N 3.31Å; H100-G103 VanDerWaalsContact ND1-N 3.13Å; H100-G103 PolarHBondContact O-N 3.44Å; H100-G103 VanDerWaalsContact O-N 3.07Å; V101-G103 PolarHBondContact O-N 3.39Å; G103-L105 PolarHBondContact O-N 3.14Å; G103-G106 PolarHBondContact O-N 2.95Å; G103-I107 WeakPolarHBondContact O-CG1 3.16Å; G103-I107 PolarHBondContact O-N 2.89Å; G103-I107 VanDerWaalsContact O-N 3.14Å
104	T	95.3	Very high	92.7	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-32.5	175.2	-54.6	0	0	0	0	112.4	D99 H100 V101 Y102 G106 I107 V108 Q216 A218 V223	D99-T104 PolarHBondContact O-OG1 3.23Å; H100-T104 PolarHBondContact O-N 3.35Å; H100-T104 PolarHBondContact O-OG1 3.19Å; V101-T104 WeakPolarHBondContact O-CB 3.33Å; V101-T104 PolarHBondContact O-N 2.76Å; Y102-T104 VanDerWaalsContact C-N 3.3Å; T104-G106 VanDerWaalsContact C-N 3.31Å; T104-G106 PolarHBondContact O-N 3.32Å; T104-I107 WeakPolarHBondContact O-CB 3.46Å; T104-I107 PolarHBondContact O-N 2.98Å; T104-V108 HydrophobicContact CG2-CG1 4.18Å; T104-V108 WeakPolarHBondContact O-CG1 3.45Å; T104-V108 WeakPolarHBondContact O-CG2 3.42Å; T104-V108 PolarHBondContact O-N 2.77Å; T104-Q216 HydrophobicContact CG2-CB 4.15Å; T104-A218 WeakPolarHBondContact OG1-CB 3.32Å; T104-V223 HydrophobicContact CG2-CB 3.99Å; T104-V223 HydrophobicContact CG2-CG2 3.67Å
105	L	96.1	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-43.1	173.8	-64.3	173.6	0	0	0	112	V101 Y102 G103 V108 G109 A110 T113 Q114 I126 Y134 A136 V223	V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 2.93Å; V101-L105 VanDerWaalsContact O-N 3.12Å; Y102-L105 WeakPolarHBondContact O-CB 3.39Å; Y102-L105 PolarHBondContact O-N 3.42Å; G103-L105 PolarHBondContact O-N 3.14Å; L105-V108 WeakPolarHBondContact O-CG2 3.39Å; L105-G109 PolarHBondContact O-N 2.81Å; L105-A110 PolarHBondContact O-N 3.27Å; L105-T113 HydrophobicContact CD1-CG2 4.28Å; L105-T113 HydrophobicContact CD2-CG2 4.22Å; L105-Q114 HydrophobicContact CB-CB 3.8Å; L105-Q114 HydrophobicContact CB-CG 4.14Å; L105-Q114 HydrophobicContact CD1-CB 4.24Å; L105-I126 HydrophobicContact CD1-CD1 4.29Å; L105-Y134 HydrophobicContact CD1-CE1 4.34Å; L105-Y134 HydrophobicContact CD2-CG 4.46Å; L105-A136 HydrophobicContact CD2-CB 3.46Å; L105-A136 VanDerWaalsContact CD2-CB 3.46Å; L105-V223 HydrophobicContact CD2-CG1 3.96Å; L105-V223 HydrophobicContact CD2-CG2 4.3Å
106	G	93.6	Very high	93.8	Very high	28 Å²	28	36.5 Å²	36.5	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-68	-40.3	175.8	0	0	0	0	0	112.3	G103 T104 V108 G109 Q114	G103-G106 PolarHBondContact O-N 2.95Å; T104-G106 VanDerWaalsContact C-N 3.31Å; T104-G106 PolarHBondContact O-N 3.32Å; G106-V108 VanDerWaalsContact C-N 3.29Å; G106-V108 PolarHBondContact O-N 3.46Å; G106-G109 PolarHBondContact O-N 2.91Å; G106-Q114 VanDerWaalsContact CA-OE1 3.3Å
107	I	90.7	Very high	94.6	Very high	48 Å²	48	34.7 Å²	34.7	25%	0.246	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-40.4	177.4	-66.9	175.4	0	0	0	111.4	M96 P97 D99 G103 T104 G109	M96-I107 HydrophobicContact CB-CG2 4.28Å; M96-I107 HydrophobicContact CE-CB 4.49Å; M96-I107 HydrophobicContact CE-CG2 3.19Å; M96-I107 WeakPolarHBondContact CE-O 3.49Å; M96-I107 HydrophobicContact CG-CG2 4.47Å; M96-I107 HydrophobicContact SD-CG2 3.88Å; P97-I107 HydrophobicContact CG-CD1 4.2Å; P97-I107 WeakPolarHBondContact O-CD1 3.25Å; D99-I107 HydrophobicContact CB-CD1 3.97Å; G103-I107 WeakPolarHBondContact O-CG1 3.16Å; G103-I107 PolarHBondContact O-N 2.89Å; G103-I107 VanDerWaalsContact O-N 3.14Å; T104-I107 WeakPolarHBondContact O-CB 3.46Å; T104-I107 PolarHBondContact O-N 2.98Å; I107-G109 VanDerWaalsContact C-N 3.29Å; I107-G109 PolarHBondContact O-N 2.87Å
108	V	89.8	Confident	95.3	Very high	24 Å²	24	33.9 Å²	33.9	15%	0.145	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.3	179.2	-53.5	0	0	0	0	113.6	T104 L105 G106 A110 Q216 V223 V225	T104-V108 HydrophobicContact CG2-CG1 4.18Å; T104-V108 WeakPolarHBondContact O-CG1 3.45Å; T104-V108 WeakPolarHBondContact O-CG2 3.42Å; T104-V108 PolarHBondContact O-N 2.77Å; L105-V108 WeakPolarHBondContact O-CG2 3.39Å; G106-V108 VanDerWaalsContact C-N 3.29Å; G106-V108 PolarHBondContact O-N 3.46Å; V108-A110 VanDerWaalsContact C-N 3.35Å; V108-A110 HydrophobicContact CG2-CB 3.99Å; V108-Q216 HydrophobicContact CG1-CB 3.6Å; V108-Q216 HydrophobicContact CG1-CG 3.43Å; V108-Q216 VanDerWaalsContact CG1-CG 3.43Å; V108-V223 HydrophobicContact CG2-CG1 3.99Å; V108-V225 HydrophobicContact CB-CG2 3.83Å; V108-V225 HydrophobicContact CG2-CG2 3.53Å
109	G	91.9	Very high	95.8	Very high	37 Å²	37	30.8 Å²	30.8	38%	0.381	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	10.5	178.6	0	0	0	0	0	115.3	L105 G106 I107 T111 N139	L105-G109 PolarHBondContact O-N 2.81Å; G106-G109 PolarHBondContact O-N 2.91Å; I107-G109 VanDerWaalsContact C-N 3.29Å; I107-G109 PolarHBondContact O-N 2.87Å; G109-T111 PolarHBondContact O-N 3.17Å; G109-N139 PolarHBondContact O-ND2 2.91Å; G109-N139 VanDerWaalsContact O-ND2 3.13Å
110	A	95.9	Very high	95.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	16%	0.164	C	C	.	.			trans	-82.6	53.4	175.4	0	0	0	0	0	111.2	L105 V108 T112 T113 Q114 A136	L105-A110 PolarHBondContact O-N 3.27Å; V108-A110 VanDerWaalsContact C-N 3.35Å; V108-A110 HydrophobicContact CG2-CB 3.99Å; A110-T112 VanDerWaalsContact C-N 3.33Å; A110-T112 PolarHBondContact O-N 3.31Å; A110-T113 PolarHBondContact O-N 3.36Å; A110-Q114 PolarHBondContact O-N 3.21Å; A110-A136 HydrophobicContact CB-CB 4.13Å
111	T	97.7	Very high	95.8	Very high	67 Å²	67	32.6 Å²	32.6	41%	0.411	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-33.5	-171.8	50.2	0	0	0	0	113.1	G109 Q114 H115 N139	G109-T111 PolarHBondContact O-N 3.17Å; T111-Q114 WeakPolarHBondContact O-CB 3.18Å; T111-Q114 PolarHBondContact O-N 3.05Å; T111-H115 WeakPolarHBondContact O-CB 3.43Å; T111-H115 PolarHBondContact O-N 3.3Å; T111-N139 PolarHBondContact N-OD1 3.19Å; T111-N139 VanDerWaalsContact N-OD1 3.17Å; T111-N139 PolarHBondContact OG1-ND2 3.37Å; T111-N139 PolarHBondContact OG1-OD1 3.02Å
112	T	97.7	Very high	95.8	Very high	31 Å²	31	32.7 Å²	32.7	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-44.5	175.4	-57.1	0	0	0	0	110.9	A110 Q114 H115 Y116 N139 W142	A110-T112 VanDerWaalsContact C-N 3.33Å; A110-T112 PolarHBondContact O-N 3.31Å; T112-Q114 VanDerWaalsContact C-N 3.3Å; T112-Q114 PolarHBondContact O-N 3.45Å; T112-H115 PolarHBondContact O-N 3.42Å; T112-Y116 HydrophobicContact CG2-CD2 3.86Å; T112-Y116 HydrophobicContact CG2-CE2 3.39Å; T112-Y116 WeakPolarHBondContact O-CD2 3.21Å; T112-Y116 PolarHBondContact O-N 3.31Å; T112-N139 WeakPolarHBondContact CB-OD1 3.3Å; T112-N139 PolarHBondContact N-OD1 2.65Å; T112-N139 PolarHBondContact OG1-OD1 2.84Å; T112-W142 HydrophobicContact CG2-CB 3.77Å; T112-W142 HydrophobicContact CG2-CD2 4.37Å; T112-W142 HydrophobicContact CG2-CG 3.64Å
113	T	98.2	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-37.5	174.3	-58.9	0	0	0	0	111.6	L105 A110 S117 Y134 A136 P137 W142	L105-T113 HydrophobicContact CD1-CG2 4.28Å; L105-T113 HydrophobicContact CD2-CG2 4.22Å; A110-T113 PolarHBondContact O-N 3.36Å; T113-S117 WeakPolarHBondContact O-CB 3.37Å; T113-S117 PolarHBondContact O-N 3.35Å; T113-S117 PolarHBondContact O-OG 3.21Å; T113-Y134 HydrophobicContact CG2-CE2 3.77Å; T113-A136 HydrophobicContact CG2-CB 4Å; T113-P137 PolarHBondContact OG1-O 3.1Å; T113-W142 PolarHBondContact OG1-NE1 3.42Å
114	Q	98.2	Very high	95.7	Very high	39 Å²	39	42.7 Å²	42.7	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-48.8	174	-169.4	179.5	27.6	0	0	111.5	Y102 L105 G106 A110 T111 T112 Y116 S117 D118	Y102-Q114 HydrophobicContact CD2-CG 4.06Å; Y102-Q114 HydrophobicContact CE1-CG 4.13Å; Y102-Q114 HydrophobicContact CE2-CG 3.59Å; Y102-Q114 VanDerWaalsContact CE2-O 3.3Å; Y102-Q114 WeakPolarHBondContact CE2-O 3.17Å; Y102-Q114 PolarHBondContact O-NE2 3.46Å; Y102-Q114 VanDerWaalsContact O-NE2 3.11Å; L105-Q114 HydrophobicContact CB-CB 3.8Å; L105-Q114 HydrophobicContact CB-CG 4.14Å; L105-Q114 HydrophobicContact CD1-CB 4.24Å; G106-Q114 VanDerWaalsContact CA-OE1 3.3Å; A110-Q114 PolarHBondContact O-N 3.21Å; T111-Q114 WeakPolarHBondContact O-CB 3.18Å; T111-Q114 PolarHBondContact O-N 3.05Å; T112-Q114 VanDerWaalsContact C-N 3.3Å; T112-Q114 PolarHBondContact O-N 3.45Å; Q114-Y116 PolarHBondContact O-N 3.33Å; Q114-S117 WeakPolarHBondContact O-CB 3.17Å; Q114-S117 PolarHBondContact O-N 3.2Å; Q114-D118 PolarHBondContact O-N 3.41Å; Q114-D118 VanDerWaalsContact O-N 3.08Å
115	H	97.9	Very high	95.8	Very high	103 Å²	103	45.7 Å²	45.7	48%	0.477	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-45.6	177.1	178.5	61.2	0	0	0	111.8	T111 T112 S117 D118 V119	T111-H115 WeakPolarHBondContact O-CB 3.43Å; T111-H115 PolarHBondContact O-N 3.3Å; T112-H115 PolarHBondContact O-N 3.42Å; H115-S117 VanDerWaalsContact C-N 3.29Å; H115-S117 PolarHBondContact O-N 2.99Å; H115-D118 VanDerWaalsContact O-CB 3.32Å; H115-D118 WeakPolarHBondContact O-CB 3.35Å; H115-D118 PolarHBondContact O-N 2.81Å; H115-V119 PolarHBondContact O-N 3.41Å
116	Y	97.9	Very high	95.8	Very high	13 Å²	13	45.7 Å²	45.7	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-34.3	176.1	-71.9	-31.4	0	0	0	113.3	T112 Q114 D118 V119 S120 W142 R150 E154 L161	T112-Y116 HydrophobicContact CG2-CD2 3.86Å; T112-Y116 HydrophobicContact CG2-CE2 3.39Å; T112-Y116 WeakPolarHBondContact O-CD2 3.21Å; T112-Y116 PolarHBondContact O-N 3.31Å; Q114-Y116 PolarHBondContact O-N 3.33Å; Y116-D118 VanDerWaalsContact C-N 3.3Å; Y116-D118 PolarHBondContact O-N 2.91Å; Y116-V119 HydrophobicContact CD1-CG2 4.36Å; Y116-S120 VanDerWaalsContact O-CB 3.26Å; Y116-S120 WeakPolarHBondContact O-CB 3.24Å; Y116-S120 PolarHBondContact O-N 3.31Å; Y116-S120 VanDerWaalsContact O-N 3.16Å; Y116-S120 PolarHBondContact O-OG 2.68Å; Y116-W142 AromaticContact CD2-CD2 3.88Å; Y116-W142 HydrophobicContact CD2-CD2 3.88Å; Y116-W142 AromaticContact CD2-CE2 3.67Å; Y116-W142 HydrophobicContact CD2-CE3 4.1Å; Y116-W142 AromaticContact CD2-CH2 3.97Å; Y116-W142 HydrophobicContact CD2-CH2 3.97Å; Y116-W142 AromaticContact CD2-CZ2 3.74Å; Y116-W142 HydrophobicContact CD2-CZ2 3.74Å; Y116-W142 HydrophobicContact CD2-CZ3 4.14Å; Y116-W142 AromaticContact CE2-CD2 3.54Å; Y116-W142 HydrophobicContact CE2-CD2 3.54Å; Y116-W142 AromaticContact CE2-CE2 3.86Å; Y116-W142 AromaticContact CE2-CE3 3.56Å; Y116-W142 HydrophobicContact CE2-CE3 3.56Å; Y116-W142 HydrophobicContact CE2-CG 4.03Å; Y116-W142 HydrophobicContact CE2-CH2 4.24Å; Y116-W142 HydrophobicContact CE2-CZ2 4.22Å; Y116-W142 AromaticContact CE2-CZ3 3.92Å; Y116-W142 HydrophobicContact CE2-CZ3 3.92Å; Y116-R150 PolarHBondContact OH-NE 3.38Å; Y116-R150 VanDerWaalsContact OH-NE 3.12Å; Y116-R150 PolarHBondContact OH-NH2 3.23Å; Y116-E154 HydrophobicContact CE1-CG 3.96Å; Y116-E154 PolarHBondContact OH-OE1 3.26Å; Y116-L161 HydrophobicContact CD1-CD1 4.4Å; Y116-L161 HydrophobicContact CD1-CD2 3.83Å; Y116-L161 HydrophobicContact CD2-CD1 4.35Å; Y116-L161 HydrophobicContact CG-CD1 4.04Å; Y116-L161 HydrophobicContact CG-CD2 4.07Å
117	S	97.6	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-31.3	173	-57.8	0	0	0	0	112.6	T113 Q114 H115 S120 L122 R123 Y134	T113-S117 WeakPolarHBondContact O-CB 3.37Å; T113-S117 PolarHBondContact O-N 3.35Å; T113-S117 PolarHBondContact O-OG 3.21Å; Q114-S117 WeakPolarHBondContact O-CB 3.17Å; Q114-S117 PolarHBondContact O-N 3.2Å; H115-S117 VanDerWaalsContact C-N 3.29Å; H115-S117 PolarHBondContact O-N 2.99Å; S117-S120 PolarHBondContact O-OG 3.43Å; S117-L122 PolarHBondContact O-N 3.34Å; S117-L122 VanDerWaalsContact O-N 3.12Å; S117-R123 PolarHBondContact O-N 3.28Å; S117-Y134 PolarHBondContact OG-OH 2.98Å; S117-Y134 VanDerWaalsContact OG-OH 3.05Å
118	D	96.8	Very high	96.1	Very high	65 Å²	65	47 Å²	47	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-70.6	-53.7	175.9	-166.9	51.7	0	0	0	111.3	Y102 Q114 H115 Y116 S120 K121 R123	Y102-D118 HydrophobicContact CE2-CB 4.09Å; Q114-D118 PolarHBondContact O-N 3.41Å; Q114-D118 VanDerWaalsContact O-N 3.08Å; H115-D118 VanDerWaalsContact O-CB 3.32Å; H115-D118 WeakPolarHBondContact O-CB 3.35Å; H115-D118 PolarHBondContact O-N 2.81Å; Y116-D118 VanDerWaalsContact C-N 3.3Å; Y116-D118 PolarHBondContact O-N 2.91Å; D118-S120 VanDerWaalsContact C-N 3.27Å; D118-S120 PolarHBondContact O-N 3.3Å; D118-K121 PolarHBondContact O-N 3.45Å; D118-R123 WeakPolarHBondContact OD1-CD 3.39Å; D118-R123 IonicContact OD1-CZ 3.9Å; D118-R123 IonicContact OD1-NE 3.5Å; D118-R123 IonicContact OD1-NH1 3.9Å; D118-R123 PolarHBondContact OD1-NH1 2.8Å
119	V	96.4	Very high	96.3	Very high	51 Å²	51	55.8 Å²	55.8	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-20.4	-175.4	-57.4	0	0	0	0	113.9	H115 Y116 V157 L161	H115-V119 PolarHBondContact O-N 3.41Å; Y116-V119 HydrophobicContact CD1-CG2 4.36Å; V119-V157 HydrophobicContact CG2-CB 4.46Å; V119-V157 HydrophobicContact CG2-CG1 4.15Å; V119-L161 HydrophobicContact CG2-CD2 3.86Å
120	S	95.4	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.3	176.2	59.8	0	0	0	0	114.2	Y116 S117 D118 L122 V157 L165	Y116-S120 VanDerWaalsContact O-CB 3.26Å; Y116-S120 WeakPolarHBondContact O-CB 3.24Å; Y116-S120 PolarHBondContact O-N 3.31Å; Y116-S120 VanDerWaalsContact O-N 3.16Å; Y116-S120 PolarHBondContact O-OG 2.68Å; S117-S120 PolarHBondContact O-OG 3.43Å; D118-S120 VanDerWaalsContact C-N 3.27Å; D118-S120 PolarHBondContact O-N 3.3Å; S120-L122 PolarHBondContact O-N 3.05Å; S120-V157 WeakPolarHBondContact CA-O 3.5Å; S120-V157 VanDerWaalsContact CB-O 3.31Å; S120-V157 WeakPolarHBondContact CB-O 3.32Å; S120-L165 WeakPolarHBondContact OG-CD1 3.4Å
121	K	94.6	Very high	96.4	Very high	142 Å²	142	58.6 Å²	58.6	62%	0.617	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	8.9	-173.1	-51.3	177.4	179.9	175	0	115.2	D118 R123	D118-K121 PolarHBondContact O-N 3.45Å; K121-R123 PolarHBondContact O-N 3.44Å
122	L	96.8	Very high	96.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-29.7	173.6	-179.8	60	0	0	0	111.8	S117 S120 E124 E125 I126 Y134 L162 L165 H166 M169	S117-L122 PolarHBondContact O-N 3.34Å; S117-L122 VanDerWaalsContact O-N 3.12Å; S120-L122 PolarHBondContact O-N 3.05Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.48Å; L122-E125 HydrophobicContact CD1-CB 4.43Å; L122-E125 WeakPolarHBondContact CD1-OE2 3.47Å; L122-E125 WeakPolarHBondContact O-CB 3.37Å; L122-E125 PolarHBondContact O-N 2.83Å; L122-I126 HydrophobicContact CD1-CG2 4.2Å; L122-I126 HydrophobicContact CG-CD1 4.39Å; L122-I126 HydrophobicContact CG-CG1 4.39Å; L122-I126 HydrophobicContact CG-CG2 4.26Å; L122-I126 WeakPolarHBondContact O-CG1 3.34Å; L122-I126 PolarHBondContact O-N 3.18Å; L122-Y134 HydrophobicContact CD2-CE1 3.9Å; L122-L162 HydrophobicContact CB-CD1 3.81Å; L122-L162 HydrophobicContact CD1-CD1 4.16Å; L122-L162 HydrophobicContact CG-CD1 4.47Å; L122-L165 HydrophobicContact CD2-CB 3.66Å; L122-L165 HydrophobicContact CD2-CD1 3.94Å; L122-L165 HydrophobicContact CD2-CG 4.45Å; L122-H166 VanDerWaalsContact CD1-NE2 3.35Å; L122-H166 WeakPolarHBondContact CD1-NE2 3.42Å; L122-M169 HydrophobicContact CD1-CE 4.38Å; L122-M169 HydrophobicContact CD1-SD 3.92Å; L122-M169 HydrophobicContact CD2-SD 3.7Å; L122-M169 HydrophobicContact CG-SD 4.29Å
123	R	97	Very high	96.5	Very high	84 Å²	84	55 Å²	55	32%	0.317	28%	0.278	S	S	.	.	H	α-helix	trans	-47.1	-50.6	-177.8	175.5	176	-177.6	172.5	2.9	113.6	Y102 S117 D118 K121 E125 I126 E127	Y102-R123 HydrophobicContact CD1-CG 4.16Å; Y102-R123 HydrophobicContact CD2-CB 4Å; Y102-R123 HydrophobicContact CD2-CG 3.75Å; Y102-R123 HydrophobicContact CE1-CG 4.27Å; Y102-R123 HydrophobicContact CE2-CB 4.03Å; Y102-R123 HydrophobicContact CE2-CG 3.83Å; Y102-R123 HydrophobicContact CG-CG 3.92Å; Y102-R123 PolarHBondContact OH-NH1 3.4Å; S117-R123 PolarHBondContact O-N 3.28Å; D118-R123 WeakPolarHBondContact OD1-CD 3.39Å; D118-R123 IonicContact OD1-CZ 3.9Å; D118-R123 IonicContact OD1-NE 3.5Å; D118-R123 IonicContact OD1-NH1 3.9Å; D118-R123 PolarHBondContact OD1-NH1 2.8Å; K121-R123 PolarHBondContact O-N 3.44Å; R123-E125 PolarHBondContact O-N 2.87Å; R123-I126 WeakPolarHBondContact O-CG1 3.43Å; R123-I126 PolarHBondContact O-N 2.93Å; R123-I126 VanDerWaalsContact O-N 3.14Å; R123-E127 HydrophobicContact CG-CG 3.99Å; R123-E127 IonicContact CZ-OE1 3.76Å; R123-E127 IonicContact NE-OE1 3.31Å; R123-E127 PolarHBondContact NE-OE1 3.29Å; R123-E127 IonicContact NE-OE2 3.31Å; R123-E127 IonicContact NH2-OE1 3.18Å; R123-E127 PolarHBondContact NH2-OE1 3.48Å; R123-E127 WeakPolarHBondContact O-CB 3.47Å; R123-E127 WeakPolarHBondContact O-CG 3.3Å; R123-E127 PolarHBondContact O-N 3.08Å
124	E	95.3	Very high	96.5	Very high	159 Å²	159	55 Å²	55	74%	0.743	28%	0.278	S	S	*	.	H	α-helix	trans	-59.2	-35.2	-176.5	-63.8	-180	-172.7	0	0	112	L122 G128	L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.48Å; E124-G128 PolarHBondContact O-N 2.82Å; E124-G128 VanDerWaalsContact O-N 3.15Å
125	E	96.4	Very high	96.5	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-68.4	-48.6	176.2	-177.6	178.7	-171.3	0	0	111.4	L122 R123 E127 G128 Y132 H166 M188	L122-E125 HydrophobicContact CD1-CB 4.43Å; L122-E125 WeakPolarHBondContact CD1-OE2 3.47Å; L122-E125 WeakPolarHBondContact O-CB 3.37Å; L122-E125 PolarHBondContact O-N 2.83Å; R123-E125 PolarHBondContact O-N 2.87Å; E125-E127 PolarHBondContact O-N 3.34Å; E125-G128 PolarHBondContact O-N 3.12Å; E125-G128 VanDerWaalsContact O-N 3.12Å; E125-Y132 HydrophobicContact CG-CE1 4.36Å; E125-Y132 WeakPolarHBondContact CG-OH 3.41Å; E125-H166 IonicContact OE2-CD2 2.92Å; E125-H166 IonicContact OE2-CE1 3.63Å; E125-H166 IonicContact OE2-NE2 3.62Å; E125-H166 PolarHBondContact OE2-NE2 2.89Å; E125-M188 WeakPolarHBondContact OE1-CE 3.29Å
126	I	96.8	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-84	-5.5	-175.2	58	163.9	0	0	0	114.4	V101 Y102 L105 L122 R123 Y134 M169 N220	V101-I126 HydrophobicContact CB-CB 4.16Å; V101-I126 HydrophobicContact CG1-CB 4.12Å; V101-I126 HydrophobicContact CG1-CD1 4.31Å; V101-I126 HydrophobicContact CG1-CG2 4.38Å; V101-I126 PolarHBondContact N-O 3.43Å; Y102-I126 HydrophobicContact CD2-CD1 4.05Å; Y102-I126 HydrophobicContact CG-CD1 4.41Å; L105-I126 HydrophobicContact CD1-CD1 4.29Å; L122-I126 HydrophobicContact CD1-CG2 4.2Å; L122-I126 HydrophobicContact CG-CD1 4.39Å; L122-I126 HydrophobicContact CG-CG1 4.39Å; L122-I126 HydrophobicContact CG-CG2 4.26Å; L122-I126 WeakPolarHBondContact O-CG1 3.34Å; L122-I126 PolarHBondContact O-N 3.18Å; R123-I126 WeakPolarHBondContact O-CG1 3.43Å; R123-I126 PolarHBondContact O-N 2.93Å; R123-I126 VanDerWaalsContact O-N 3.14Å; I126-Y134 HydrophobicContact CD1-CD1 4.42Å; I126-Y134 HydrophobicContact CD1-CE1 4.06Å; I126-M169 HydrophobicContact CG2-CE 3.23Å; I126-M169 HydrophobicContact CG2-SD 4.21Å; I126-N220 PolarHBondContact O-ND2 3.4Å
127	E	96.9	Very high	96.5	Very high	70 Å²	70	47.6 Å²	47.6	33%	0.327	25%	0.245	S	C	.	.	H	α-helix	trans	-87.8	-27.2	160.5	-67.1	-169.5	164.4	0	0	111.9	H100 Y102 R123 E125	H100-E127 IonicContact CE1-OE1 2.75Å; H100-E127 IonicContact NE2-OE1 3.92Å; Y102-E127 HydrophobicContact CD1-CG 4.37Å; Y102-E127 VanDerWaalsContact CD1-OE1 3.3Å; Y102-E127 WeakPolarHBondContact CD1-OE1 3.41Å; Y102-E127 HydrophobicContact CG-CG 4.3Å; R123-E127 HydrophobicContact CG-CG 3.99Å; R123-E127 IonicContact CZ-OE1 3.76Å; R123-E127 IonicContact NE-OE1 3.31Å; R123-E127 PolarHBondContact NE-OE1 3.29Å; R123-E127 IonicContact NE-OE2 3.31Å; R123-E127 IonicContact NH2-OE1 3.18Å; R123-E127 PolarHBondContact NH2-OE1 3.48Å; R123-E127 WeakPolarHBondContact O-CB 3.47Å; R123-E127 WeakPolarHBondContact O-CG 3.3Å; R123-E127 PolarHBondContact O-N 3.08Å; E125-E127 PolarHBondContact O-N 3.34Å
128	G	93	Very high	96.5	Very high	33 Å²	33	48.1 Å²	48.1	34%	0.34	25%	0.248	S	C	.	.	S	Bend	trans	-75.7	-165.7	-174.7	0	0	0	0	0	115.5	E124 E125 N220	E124-G128 PolarHBondContact O-N 2.82Å; E124-G128 VanDerWaalsContact O-N 3.15Å; E125-G128 PolarHBondContact O-N 3.12Å; E125-G128 VanDerWaalsContact O-N 3.12Å; G128-N220 PolarHBondContact O-ND2 3.33Å
129	K	93.3	Very high	96.4	Very high	209 Å²	209	46.8 Å²	46.8	91%	0.909	24%	0.241	S	C	*	.	S	Bend	trans	-75	132.7	179.6	-63.9	-179.7	-177.3	176.4	0	110.2	Y132	K129-Y132 PolarHBondContact O-OH 2.9Å
130	G	94.6	Very high	96.3	Very high	42 Å²	42	48.1 Å²	48.1	43%	0.433	24%	0.244	S	C	.	.	S	Bend	trans	162.4	-173.8	175.8	0	0	0	0	0	111.8	N220	G130-N220 WeakPolarHBondContact O-CB 3.26Å
131	S	96.9	Very high	96.2	Very high	56 Å²	56	48.2 Å²	48.2	39%	0.392	25%	0.245	S	C	.	.			trans	-139.2	104.5	172.8	-175.3	0	0	0	0	107.7	N171 K172 R173 N220	S131-N171 CarbonylContact O-C 3.57Å; S131-N171 VanDerWaalsContact O-O 3.05Å; S131-K172 CarbonylContact O-C 3.56Å; S131-K172 WeakPolarHBondContact O-CA 3.37Å; S131-K172 PolarHBondContact O-N 2.86Å; S131-R173 VanDerWaalsContact OG-CB 3.31Å; S131-R173 WeakPolarHBondContact OG-CB 3.33Å; S131-R173 PolarHBondContact OG-N 2.93Å; S131-N220 CarbonylContact C-O 3.51Å; S131-N220 WeakPolarHBondContact CA-O 3.33Å
132	Y	97.8	Very high	96.3	Very high	22 Å²	22	41.5 Å²	41.5	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153	-171	-52.9	-80.2	0	0	0	112.2	E125 K129 M169 V170 M188 N220 G221 V222	E125-Y132 HydrophobicContact CG-CE1 4.36Å; E125-Y132 WeakPolarHBondContact CG-OH 3.41Å; K129-Y132 PolarHBondContact O-OH 2.9Å; Y132-M169 HydrophobicContact CD1-CE 3.98Å; Y132-M169 HydrophobicContact CG-CE 4.26Å; Y132-V170 CarbonylContact C-O 2.94Å; Y132-V170 WeakPolarHBondContact CA-O 3.48Å; Y132-M188 HydrophobicContact CD1-CE 3.99Å; Y132-M188 HydrophobicContact CD1-SD 3.72Å; Y132-M188 HydrophobicContact CE1-CE 3.73Å; Y132-M188 HydrophobicContact CE1-SD 4.09Å; Y132-N220 WeakPolarHBondContact CD2-O 3.48Å; Y132-N220 PolarHBondContact N-O 3.46Å; Y132-G221 CarbonylContact O-C 3.39Å; Y132-G221 WeakPolarHBondContact O-CA 3.27Å; Y132-V222 PolarHBondContact O-N 3.31Å
133	T	98.4	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.5	159	-61	0	0	0	0	107.9	F135 M169 V170 K172 R173 M174 V222 H224	T133-F135 HydrophobicContact CG2-CD2 4.46Å; T133-F135 HydrophobicContact CG2-CE1 4.19Å; T133-F135 HydrophobicContact CG2-CE2 3.98Å; T133-F135 HydrophobicContact CG2-CZ 3.84Å; T133-M169 CarbonylContact O-C 3.49Å; T133-M169 VanDerWaalsContact O-CA 3.27Å; T133-M169 WeakPolarHBondContact O-CA 2.93Å; T133-V170 PolarHBondContact N-O 3.46Å; T133-V170 PolarHBondContact O-N 3.14Å; T133-K172 WeakPolarHBondContact CB-O 3.15Å; T133-K172 PolarHBondContact N-O 3.42Å; T133-K172 PolarHBondContact OG1-O 3.4Å; T133-R173 WeakPolarHBondContact OG1-CA 2.98Å; T133-M174 HydrophobicContact CG2-CB 4.33Å; T133-M174 WeakPolarHBondContact OG1-CB 3.23Å; T133-M174 PolarHBondContact OG1-N 2.95Å; T133-V222 CarbonylContact C-O 3.58Å; T133-V222 WeakPolarHBondContact CA-O 3.44Å; T133-V222 HydrophobicContact CG2-CG1 3.95Å; T133-V222 WeakPolarHBondContact OG1-CG1 3.42Å; T133-H224 VanDerWaalsContact CG2-CD2 3.5Å; T133-H224 WeakPolarHBondContact CG2-CD2 3.44Å
134	Y	98.4	Very high	95.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.3	177.9	-152.6	134.1	0	0	0	109.5	V101 L105 T113 S117 L122 I126 A136 L165 H168 M169 V222 V223 H224	V101-Y134 HydrophobicContact CG1-CD1 3.71Å; V101-Y134 HydrophobicContact CG1-CG 4.29Å; L105-Y134 HydrophobicContact CD1-CE1 4.34Å; L105-Y134 HydrophobicContact CD2-CG 4.46Å; T113-Y134 HydrophobicContact CG2-CE2 3.77Å; S117-Y134 PolarHBondContact OG-OH 2.98Å; S117-Y134 VanDerWaalsContact OG-OH 3.05Å; L122-Y134 HydrophobicContact CD2-CE1 3.9Å; I126-Y134 HydrophobicContact CD1-CD1 4.42Å; I126-Y134 HydrophobicContact CD1-CE1 4.06Å; Y134-A136 VanDerWaalsContact C-N 3.33Å; Y134-A136 HydrophobicContact CD2-CB 4.02Å; Y134-A136 HydrophobicContact CE2-CB 4.4Å; Y134-A136 PolarHBondContact O-N 3.42Å; Y134-L165 WeakPolarHBondContact OH-CD2 3.37Å; Y134-H168 HydrophobicContact CE2-CB 4.23Å; Y134-M169 HydrophobicContact CD1-CE 4.1Å; Y134-M169 HydrophobicContact CD1-CG 3.72Å; Y134-M169 HydrophobicContact CD1-SD 3.73Å; Y134-M169 HydrophobicContact CD2-CG 4.07Å; Y134-M169 HydrophobicContact CE1-CE 4.37Å; Y134-M169 HydrophobicContact CE1-CG 3.88Å; Y134-M169 HydrophobicContact CE1-SD 3.54Å; Y134-M169 VanDerWaalsContact CE1-SD 3.54Å; Y134-M169 HydrophobicContact CE2-CG 4.2Å; Y134-M169 HydrophobicContact CG-CG 3.83Å; Y134-M169 HydrophobicContact CG-SD 4.45Å; Y134-V222 PolarHBondContact N-O 3.01Å; Y134-V223 WeakPolarHBondContact O-CA 3.49Å; Y134-H224 PolarHBondContact O-N 2.79Å
135	F	98.3	Very high	95.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	79.3	169.2	-61.6	-70.8	0	0	0	109.4	T133 P137 H168 V170 L179 L194 I196 V206 H224 I226	T133-F135 HydrophobicContact CG2-CD2 4.46Å; T133-F135 HydrophobicContact CG2-CE1 4.19Å; T133-F135 HydrophobicContact CG2-CE2 3.98Å; T133-F135 HydrophobicContact CG2-CZ 3.84Å; F135-P137 VanDerWaalsContact O-CD 3.31Å; F135-P137 WeakPolarHBondContact O-CD 3.46Å; F135-H168 WeakPolarHBondContact CB-O 3.23Å; F135-H168 WeakPolarHBondContact CD2-O 3.43Å; F135-H168 PolarHBondContact N-O 2.78Å; F135-H168 PolarHBondContact O-CD2 3.48Å; F135-V170 HydrophobicContact CE2-CG2 4.05Å; F135-L179 HydrophobicContact CE1-CD1 3.81Å; F135-L179 HydrophobicContact CZ-CD1 4.05Å; F135-L179 HydrophobicContact CZ-CD2 4.04Å; F135-L194 HydrophobicContact CD2-CD1 3.99Å; F135-L194 HydrophobicContact CE2-CD1 3.93Å; F135-I196 HydrophobicContact CZ-CD1 4.32Å; F135-V206 HydrophobicContact CD1-CG2 3.67Å; F135-V206 HydrophobicContact CD2-CG1 4.3Å; F135-V206 HydrophobicContact CE1-CG2 3.58Å; F135-V206 HydrophobicContact CE2-CG1 4.42Å; F135-V206 HydrophobicContact CG-CG1 4.42Å; F135-V206 HydrophobicContact CG-CG2 4.21Å; F135-V206 HydrophobicContact CZ-CG2 4.04Å; F135-H224 CarbonylContact C-O 3.23Å; F135-H224 WeakPolarHBondContact CA-O 3.48Å; F135-H224 HydrophobicContact CD1-CB 3.86Å; F135-H224 AromaticContact CD1-CD2 3.86Å; F135-H224 HydrophobicContact CE1-CB 4.25Å; F135-H224 AromaticContact CE1-CD2 3.51Å; F135-I226 HydrophobicContact CB-CD1 4.14Å; F135-I226 HydrophobicContact CB-CG2 4.16Å; F135-I226 HydrophobicContact CD1-CG2 4.37Å
136	A	98.1	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.9	-171.2	0	0	0	0	0	111.3	L105 A110 T113 Y134 V223 H224 V225 I226	L105-A136 HydrophobicContact CD2-CB 3.46Å; L105-A136 VanDerWaalsContact CD2-CB 3.46Å; A110-A136 HydrophobicContact CB-CB 4.13Å; T113-A136 HydrophobicContact CG2-CB 4Å; Y134-A136 VanDerWaalsContact C-N 3.33Å; Y134-A136 HydrophobicContact CD2-CB 4.02Å; Y134-A136 HydrophobicContact CE2-CB 4.4Å; Y134-A136 PolarHBondContact O-N 3.42Å; A136-V223 HydrophobicContact CB-CG1 3.93Å; A136-H224 PolarHBondContact N-O 2.77Å; A136-V225 CarbonylContact O-C 3.6Å; A136-V225 VanDerWaalsContact O-CA 3.27Å; A136-V225 WeakPolarHBondContact O-CA 3.24Å; A136-I226 PolarHBondContact O-N 3.19Å
137	P	98.3	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	142.1	171.6	-19.6	32.1	0	0	0	110.9	T113 F135 A141 W142 H168 I226 V229	T113-P137 PolarHBondContact OG1-O 3.1Å; F135-P137 VanDerWaalsContact O-CD 3.31Å; F135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-A141 HydrophobicContact CB-CB 3.74Å; P137-W142 HydrophobicContact CG-CZ2 4.15Å; P137-H168 WeakPolarHBondContact CG-NE2 3.45Å; P137-I226 HydrophobicContact CB-CG1 4.39Å; P137-I226 HydrophobicContact CG-CD1 4.33Å; P137-I226 HydrophobicContact CG-CG1 4.36Å; P137-V229 HydrophobicContact CB-CG2 3.85Å; P137-V229 HydrophobicContact CG-CB 4.41Å; P137-V229 HydrophobicContact CG-CG2 4.06Å
138	S	96.2	Very high	95.3	Very high	10 Å²	10	49 Å²	49	7%	0.07	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-67.6	169	172.9	87.8	0	0	0	0	111.4	E140 A141 W142 I226	S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 WeakPolarHBondContact CB-OE2 3.27Å; S138-E140 PolarHBondContact O-N 3.49Å; S138-E140 PolarHBondContact OG-N 2.72Å; S138-E140 PolarHBondContact OG-OE2 3.25Å; S138-A141 VanDerWaalsContact O-CB 3.3Å; S138-A141 WeakPolarHBondContact O-CB 3.25Å; S138-A141 PolarHBondContact O-N 3.49Å; S138-A141 VanDerWaalsContact O-N 3.15Å; S138-A141 PolarHBondContact OG-N 3.17Å; S138-A141 VanDerWaalsContact OG-N 3.17Å; S138-W142 VanDerWaalsContact O-CD1 3.32Å; S138-W142 PolarHBondContact O-N 3.14Å; S138-I226 PolarHBondContact N-O 3.32Å
139	N	95.9	Very high	95.3	Very high	37 Å²	37	51.5 Å²	51.5	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-42	175.8	-64	-18.1	0	0	0	111	G109 T111 T112 A141 W142 E143	G109-N139 PolarHBondContact O-ND2 2.91Å; G109-N139 VanDerWaalsContact O-ND2 3.13Å; T111-N139 PolarHBondContact N-OD1 3.19Å; T111-N139 VanDerWaalsContact N-OD1 3.17Å; T111-N139 PolarHBondContact OG1-ND2 3.37Å; T111-N139 PolarHBondContact OG1-OD1 3.02Å; T112-N139 WeakPolarHBondContact CB-OD1 3.3Å; T112-N139 PolarHBondContact N-OD1 2.65Å; T112-N139 PolarHBondContact OG1-OD1 2.84Å; N139-A141 VanDerWaalsContact C-N 3.27Å; N139-A141 PolarHBondContact O-N 3.02Å; N139-W142 PolarHBondContact O-N 2.91Å; N139-E143 WeakPolarHBondContact O-CG 3.49Å; N139-E143 PolarHBondContact O-N 3.05Å
140	E	93.4	Very high	95.3	Very high	79 Å²	79	44.6 Å²	44.6	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-33.9	175.3	-57.8	80.1	-177.5	0	0	112	S138 W142 E143 N144	S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 WeakPolarHBondContact CB-OE2 3.27Å; S138-E140 PolarHBondContact O-N 3.49Å; S138-E140 PolarHBondContact OG-N 2.72Å; S138-E140 PolarHBondContact OG-OE2 3.25Å; E140-W142 VanDerWaalsContact C-N 3.3Å; E140-W142 PolarHBondContact O-N 2.67Å; E140-E143 PolarHBondContact O-N 2.85Å; E140-N144 WeakPolarHBondContact O-CB 3.4Å; E140-N144 PolarHBondContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 2.82Å
141	A	95	Very high	95.2	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-40.9	176.2	0	0	0	0	0	111.7	P137 S138 N139 L145 D227 V229	P137-A141 HydrophobicContact CB-CB 3.74Å; S138-A141 VanDerWaalsContact O-CB 3.3Å; S138-A141 WeakPolarHBondContact O-CB 3.25Å; S138-A141 PolarHBondContact O-N 3.49Å; S138-A141 VanDerWaalsContact O-N 3.15Å; S138-A141 PolarHBondContact OG-N 3.17Å; S138-A141 VanDerWaalsContact OG-N 3.17Å; N139-A141 VanDerWaalsContact C-N 3.27Å; N139-A141 PolarHBondContact O-N 3.02Å; A141-L145 PolarHBondContact O-N 3.19Å; A141-D227 WeakPolarHBondContact CB-O 3.16Å; A141-V229 HydrophobicContact CB-CG2 4.41Å
142	W	96.1	Very high	95	Very high	1 Å²	1	48 Å²	48	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-73.4	-32.4	174.9	-72.8	108.7	0	0	0	113.2	T112 T113 Y116 P137 S138 N139 E140 N144 L145 R150 L153 L161 L165 V229	T112-W142 HydrophobicContact CG2-CB 3.77Å; T112-W142 HydrophobicContact CG2-CD2 4.37Å; T112-W142 HydrophobicContact CG2-CG 3.64Å; T113-W142 PolarHBondContact OG1-NE1 3.42Å; Y116-W142 AromaticContact CD2-CD2 3.88Å; Y116-W142 HydrophobicContact CD2-CD2 3.88Å; Y116-W142 AromaticContact CD2-CE2 3.67Å; Y116-W142 HydrophobicContact CD2-CE3 4.1Å; Y116-W142 AromaticContact CD2-CH2 3.97Å; Y116-W142 HydrophobicContact CD2-CH2 3.97Å; Y116-W142 AromaticContact CD2-CZ2 3.74Å; Y116-W142 HydrophobicContact CD2-CZ2 3.74Å; Y116-W142 HydrophobicContact CD2-CZ3 4.14Å; Y116-W142 AromaticContact CE2-CD2 3.54Å; Y116-W142 HydrophobicContact CE2-CD2 3.54Å; Y116-W142 AromaticContact CE2-CE2 3.86Å; Y116-W142 AromaticContact CE2-CE3 3.56Å; Y116-W142 HydrophobicContact CE2-CE3 3.56Å; Y116-W142 HydrophobicContact CE2-CG 4.03Å; Y116-W142 HydrophobicContact CE2-CH2 4.24Å; Y116-W142 HydrophobicContact CE2-CZ2 4.22Å; Y116-W142 AromaticContact CE2-CZ3 3.92Å; Y116-W142 HydrophobicContact CE2-CZ3 3.92Å; P137-W142 HydrophobicContact CG-CZ2 4.15Å; S138-W142 VanDerWaalsContact O-CD1 3.32Å; S138-W142 PolarHBondContact O-N 3.14Å; N139-W142 PolarHBondContact O-N 2.91Å; E140-W142 VanDerWaalsContact C-N 3.3Å; E140-W142 PolarHBondContact O-N 2.67Å; W142-N144 VanDerWaalsContact C-N 3.33Å; W142-L145 HydrophobicContact CE3-CD2 3.85Å; W142-L145 HydrophobicContact CZ3-CD2 3.81Å; W142-L145 PolarHBondContact O-N 3.49Å; W142-R150 PolarHBondContact O-NH1 3.41Å; W142-L153 HydrophobicContact CH2-CD1 4.39Å; W142-L153 HydrophobicContact CZ3-CD1 3.9Å; W142-L161 HydrophobicContact CH2-CD1 4.36Å; W142-L165 HydrophobicContact CH2-CD2 4.27Å; W142-L165 HydrophobicContact CZ2-CD2 3.9Å; W142-V229 HydrophobicContact CD2-CG2 3.6Å; W142-V229 HydrophobicContact CE3-CG1 4.46Å; W142-V229 HydrophobicContact CE3-CG2 3.6Å; W142-V229 HydrophobicContact CG-CG2 4.11Å; W142-V229 HydrophobicContact CH2-CG1 3.91Å; W142-V229 HydrophobicContact CH2-CG2 4.26Å; W142-V229 HydrophobicContact CZ2-CG1 4.39Å; W142-V229 HydrophobicContact CZ2-CG2 4.26Å; W142-V229 HydrophobicContact CZ3-CG1 3.95Å; W142-V229 HydrophobicContact CZ3-CG2 3.95Å
143	E	94.2	Very high	94.8	Very high	123 Å²	123	48 Å²	48	58%	0.575	25%	0.25	S	S	*	.	H	α-helix	trans	-66.4	-35.5	172.8	-71	172.3	-177.2	0	0	112.1	N139 E140 L145	N139-E143 WeakPolarHBondContact O-CG 3.49Å; N139-E143 PolarHBondContact O-N 3.05Å; E140-E143 PolarHBondContact O-N 2.85Å; E143-L145 VanDerWaalsContact C-N 3.33Å
144	N	91.7	Very high	94.5	Very high	131 Å²	131	51.9 Å²	51.9	70%	0.701	27%	0.268	S	S	*	.	S	Bend	trans	-84.7	-5.4	179.2	-66.2	-32.5	0	0	0	113.6	E140 W142	E140-N144 WeakPolarHBondContact O-CB 3.4Å; E140-N144 PolarHBondContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 2.82Å; W142-N144 VanDerWaalsContact C-N 3.33Å
145	L	93.5	Very high	94.2	Very high	25 Å²	25	58.1 Å²	58.1	13%	0.131	30%	0.301	C	S	.	.	S	Bend	trans	-68.6	141.5	174.2	-174.7	62.3	0	0	0	109.4	A141 W142 E143 S147 I149 R150 L153 V229	A141-L145 PolarHBondContact O-N 3.19Å; W142-L145 HydrophobicContact CE3-CD2 3.85Å; W142-L145 HydrophobicContact CZ3-CD2 3.81Å; W142-L145 PolarHBondContact O-N 3.49Å; E143-L145 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3.18Å; L145-I149 HydrophobicContact CD1-CG2 4.18Å; L145-I149 HydrophobicContact CD2-CG2 4.17Å; L145-I149 HydrophobicContact CG-CB 4.43Å; L145-I149 HydrophobicContact CG-CG2 4.31Å; L145-R150 HydrophobicContact CD2-CB 4.06Å; L145-R150 HydrophobicContact CG-CB 4.36Å; L145-L153 HydrophobicContact CD2-CD1 4.1Å; L145-V229 HydrophobicContact CB-CG2 4.44Å; L145-V229 HydrophobicContact CD1-CB 4.24Å; L145-V229 HydrophobicContact CD2-CB 4.41Å; L145-V229 HydrophobicContact CD2-CG1 4.29Å; L145-V229 HydrophobicContact CD2-CG2 4.28Å
146	D	93.4	Very high	93.9	Very high	82 Å²	82	61 Å²	61	44%	0.439	32%	0.317	S	S	.	.			trans	-49.4	133.7	174.8	177.6	-90.4	0	0	0	111.2	D148 I149 R150	D146-D148 PolarHBondContact O-N 3.37Å; D146-D148 WeakPolarHBondContact OD1-CA 3.46Å; D146-D148 WeakPolarHBondContact OD1-CB 3.43Å; D146-D148 PolarHBondContact OD1-N 2.92Å; D146-I149 HydrophobicContact CB-CB 4.18Å; D146-I149 HydrophobicContact CB-CD1 3.91Å; D146-I149 HydrophobicContact CB-CG1 3.94Å; D146-I149 PolarHBondContact O-N 2.86Å; D146-I149 PolarHBondContact OD1-N 3.33Å; D146-R150 WeakPolarHBondContact O-CB 3.29Å; D146-R150 PolarHBondContact O-N 2.95Å
147	S	92.3	Very high	93.6	Very high	74 Å²	74	62.8 Å²	62.8	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-29.8	-171.3	55	0	0	0	0	113	L145 R151	L145-S147 PolarHBondContact O-N 3.18Å; S147-R151 VanDerWaalsContact O-CB 3.22Å; S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 PolarHBondContact O-N 2.89Å
148	D	92.5	Very high	93.2	Very high	101 Å²	101	66.9 Å²	66.9	54%	0.54	35%	0.35	S	S	.	.	H	α-helix	trans	-81.2	-38.9	-179.5	-65	-26.9	0	0	0	110.8	D146 R151 G152	D146-D148 PolarHBondContact O-N 3.37Å; D146-D148 WeakPolarHBondContact OD1-CA 3.46Å; D146-D148 WeakPolarHBondContact OD1-CB 3.43Å; D146-D148 PolarHBondContact OD1-N 2.92Å; D148-R151 PolarHBondContact O-N 3.05Å; D148-R151 IonicContact OD1-CZ 3.87Å; D148-R151 IonicContact OD1-NE 3.73Å; D148-R151 IonicContact OD1-NH2 2.77Å; D148-R151 PolarHBondContact OD1-NH2 2.9Å; D148-G152 PolarHBondContact O-N 3.47Å
149	I	92.3	Very high	93	Very high	86 Å²	86	69.7 Å²	69.7	44%	0.441	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-49.9	169.7	-60	-179.5	0	0	0	110.1	L145 D146 R151 G152 L153	L145-I149 HydrophobicContact CD1-CG2 4.18Å; L145-I149 HydrophobicContact CD2-CG2 4.17Å; L145-I149 HydrophobicContact CG-CB 4.43Å; L145-I149 HydrophobicContact CG-CG2 4.31Å; D146-I149 HydrophobicContact CB-CB 4.18Å; D146-I149 HydrophobicContact CB-CD1 3.91Å; D146-I149 HydrophobicContact CB-CG1 3.94Å; D146-I149 PolarHBondContact O-N 2.86Å; D146-I149 PolarHBondContact OD1-N 3.33Å; I149-R151 PolarHBondContact O-N 3.43Å; I149-G152 PolarHBondContact O-N 3Å; I149-L153 HydrophobicContact CG2-CD1 4.42Å; I149-L153 WeakPolarHBondContact O-CG 3.48Å; I149-L153 PolarHBondContact O-N 3.31Å
150	R	93.6	Very high	92.9	Very high	65 Å²	65	72.2 Å²	72.2	25%	0.245	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-48.3	-179.4	-177.8	175	175.3	164.4	-1.1	111.8	Y116 W142 L145 D146 G152 L153 E154	Y116-R150 PolarHBondContact OH-NE 3.38Å; Y116-R150 VanDerWaalsContact OH-NE 3.12Å; Y116-R150 PolarHBondContact OH-NH2 3.23Å; W142-R150 PolarHBondContact O-NH1 3.41Å; L145-R150 HydrophobicContact CD2-CB 4.06Å; L145-R150 HydrophobicContact CG-CB 4.36Å; D146-R150 WeakPolarHBondContact O-CB 3.29Å; D146-R150 PolarHBondContact O-N 2.95Å; R150-G152 VanDerWaalsContact C-N 3.29Å; R150-G152 PolarHBondContact O-N 3.21Å; R150-L153 PolarHBondContact O-N 2.95Å; R150-E154 IonicContact CZ-OE1 3.72Å; R150-E154 IonicContact NE-OE1 2.81Å; R150-E154 PolarHBondContact NE-OE1 3.42Å; R150-E154 VanDerWaalsContact NE-OE1 3.1Å; R150-E154 IonicContact NH2-OE1 2.78Å; R150-E154 WeakPolarHBondContact O-CG 3.47Å; R150-E154 PolarHBondContact O-N 3.21Å
151	R	92.4	Very high	93	Very high	131 Å²	131	68.5 Å²	68.5	49%	0.494	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-37.1	177.6	-164.1	-167.6	-30.6	-134.5	7.5	111.8	S147 D148 I149 L153 E154 N155	S147-R151 VanDerWaalsContact O-CB 3.22Å; S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 PolarHBondContact O-N 2.89Å; D148-R151 PolarHBondContact O-N 3.05Å; D148-R151 IonicContact OD1-CZ 3.87Å; D148-R151 IonicContact OD1-NE 3.73Å; D148-R151 IonicContact OD1-NH2 2.77Å; D148-R151 PolarHBondContact OD1-NH2 2.9Å; I149-R151 PolarHBondContact O-N 3.43Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-E154 PolarHBondContact O-N 3.43Å; R151-N155 WeakPolarHBondContact O-CB 3.44Å; R151-N155 PolarHBondContact O-N 2.91Å; R151-N155 PolarHBondContact O-ND2 3.11Å
152	G	92.3	Very high	93	Very high	37 Å²	37	70.1 Å²	70.1	38%	0.381	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-44.4	174	0	0	0	0	0	112.4	D148 I149 R150 N156	D148-G152 PolarHBondContact O-N 3.47Å; I149-G152 PolarHBondContact O-N 3Å; R150-G152 VanDerWaalsContact C-N 3.29Å; R150-G152 PolarHBondContact O-N 3.21Å; G152-N156 PolarHBondContact O-N 3.46Å
153	L	93.5	Very high	92.9	Very high	23 Å²	23	71.7 Å²	71.7	12%	0.12	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-44.8	175.5	-63.1	173.5	0	0	0	111.8	W142 L145 I149 R150 R151 N155 N156 E160 L161 A164	W142-L153 HydrophobicContact CH2-CD1 4.39Å; W142-L153 HydrophobicContact CZ3-CD1 3.9Å; L145-L153 HydrophobicContact CD2-CD1 4.1Å; I149-L153 HydrophobicContact CG2-CD1 4.42Å; I149-L153 WeakPolarHBondContact O-CG 3.48Å; I149-L153 PolarHBondContact O-N 3.31Å; R150-L153 PolarHBondContact O-N 2.95Å; R151-L153 VanDerWaalsContact C-N 3.34Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 3.08Å; L153-N156 CarbonylContact O-C 3.53Å; L153-N156 PolarHBondContact O-N 2.83Å; L153-E160 HydrophobicContact CD2-CB 4.07Å; L153-L161 HydrophobicContact CB-CD1 4.15Å; L153-A164 HydrophobicContact CD2-CB 3.87Å
154	E	92.2	Very high	93	Very high	81 Å²	81	66.8 Å²	66.8	38%	0.379	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-32.2	179.8	-71.7	174.6	176.9	0	0	113	Y116 R150 R151 N156 V157	Y116-E154 HydrophobicContact CE1-CG 3.96Å; Y116-E154 PolarHBondContact OH-OE1 3.26Å; R150-E154 IonicContact CZ-OE1 3.72Å; R150-E154 IonicContact NE-OE1 2.81Å; R150-E154 PolarHBondContact NE-OE1 3.42Å; R150-E154 VanDerWaalsContact NE-OE1 3.1Å; R150-E154 IonicContact NH2-OE1 2.78Å; R150-E154 WeakPolarHBondContact O-CG 3.47Å; R150-E154 PolarHBondContact O-N 3.21Å; R151-E154 PolarHBondContact O-N 3.43Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-V157 VanDerWaalsContact O-CG1 3.26Å; E154-V157 WeakPolarHBondContact O-CG1 3.21Å
155	N	93.3	Very high	93.2	Very high	131 Å²	131	60.5 Å²	60.5	70%	0.701	32%	0.323	S	S	*	.	H	α-helix	trans	-74.2	-22.4	177.6	-72.6	-24.3	0	0	0	113.1	R151 L153	R151-N155 WeakPolarHBondContact O-CB 3.44Å; R151-N155 PolarHBondContact O-N 2.91Å; R151-N155 PolarHBondContact O-ND2 3.11Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 3.08Å
156	N	92.7	Very high	93.4	Very high	60 Å²	60	60.8 Å²	60.8	32%	0.321	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	67.2	-179.6	-167.8	-8.2	0	0	0	111.6	G152 L153 E154 N158 V159 E160 L161	G152-N156 PolarHBondContact O-N 3.46Å; L153-N156 CarbonylContact O-C 3.53Å; L153-N156 PolarHBondContact O-N 2.83Å; E154-N156 VanDerWaalsContact C-N 3.32Å; N156-N158 VanDerWaalsContact C-N 3.31Å; N156-N158 PolarHBondContact O-N 3.09Å; N156-V159 PolarHBondContact O-N 3.45Å; N156-V159 PolarHBondContact OD1-N 3.05Å; N156-E160 HydrophobicContact CB-CB 4.09Å; N156-E160 HydrophobicContact CB-CG 3.88Å; N156-E160 PolarHBondContact O-N 2.84Å; N156-L161 PolarHBondContact O-N 3Å; N156-L161 VanDerWaalsContact O-N 3.15Å
157	V	91.1	Very high	93.5	Very high	39 Å²	39	57.7 Å²	57.7	24%	0.236	31%	0.308	C	S	.	.	I	π-helix	trans	-64.5	-31.9	-175.2	-60	0	0	0	0	114.2	V119 S120 E154 L161 L162	V119-V157 HydrophobicContact CG2-CB 4.46Å; V119-V157 HydrophobicContact CG2-CG1 4.15Å; S120-V157 WeakPolarHBondContact CA-O 3.5Å; S120-V157 VanDerWaalsContact CB-O 3.31Å; S120-V157 WeakPolarHBondContact CB-O 3.32Å; E154-V157 VanDerWaalsContact O-CG1 3.26Å; E154-V157 WeakPolarHBondContact O-CG1 3.21Å; V157-L161 HydrophobicContact CB-CD2 4.18Å; V157-L161 HydrophobicContact CG1-CD2 4.01Å; V157-L162 PolarHBondContact O-N 3.07Å
158	N	89.6	Confident	93.8	Very high	86 Å²	86	54.1 Å²	54.1	46%	0.46	28%	0.284	S	S	.	.	I	π-helix	trans	-79.3	-21.3	-173.9	-68.4	-56.6	0	0	0	113.2	N156	N156-N158 VanDerWaalsContact C-N 3.31Å; N156-N158 PolarHBondContact O-N 3.09Å
159	V	91.8	Very high	94	Very high	69 Å²	69	49.3 Å²	49.3	42%	0.418	26%	0.258	S	S	.	.	I	π-helix	trans	-122.9	-67.7	-175.8	-176.2	0	0	0	0	110.2	N156 L162 N163	N156-V159 PolarHBondContact O-N 3.45Å; N156-V159 PolarHBondContact OD1-N 3.05Å; V159-L162 PolarHBondContact O-N 2.87Å; V159-N163 WeakPolarHBondContact O-CB 3.46Å; V159-N163 PolarHBondContact O-N 3.16Å; V159-N163 PolarHBondContact O-ND2 2.87Å; V159-N163 VanDerWaalsContact O-ND2 3.12Å; V159-N163 PolarHBondContact O-OD1 3.13Å
160	E	93.1	Very high	94.3	Very high	89 Å²	89	45.4 Å²	45.4	42%	0.416	24%	0.238	S	C	.	.	I	π-helix	trans	-66.6	-46.9	-172.3	-62.8	-58.1	149.7	0	0	112	L153 N156 N163 A164	L153-E160 HydrophobicContact CD2-CB 4.07Å; N156-E160 HydrophobicContact CB-CB 4.09Å; N156-E160 HydrophobicContact CB-CG 3.88Å; N156-E160 PolarHBondContact O-N 2.84Å; E160-N163 PolarHBondContact O-N 3.33Å; E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.43Å; E160-A164 PolarHBondContact O-N 3.11Å
161	L	95.5	Very high	94.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.252	C	S	.	.	I	π-helix	trans	-65.3	-46.1	177.5	-175.1	60.6	0	0	0	111.4	Y116 V119 W142 L153 N156 V157 N163 A164 L165	Y116-L161 HydrophobicContact CD1-CD1 4.4Å; Y116-L161 HydrophobicContact CD1-CD2 3.83Å; Y116-L161 HydrophobicContact CD2-CD1 4.35Å; Y116-L161 HydrophobicContact CG-CD1 4.04Å; Y116-L161 HydrophobicContact CG-CD2 4.07Å; V119-L161 HydrophobicContact CG2-CD2 3.86Å; W142-L161 HydrophobicContact CH2-CD1 4.36Å; L153-L161 HydrophobicContact CB-CD1 4.15Å; N156-L161 PolarHBondContact O-N 3Å; N156-L161 VanDerWaalsContact O-N 3.15Å; V157-L161 HydrophobicContact CB-CD2 4.18Å; V157-L161 HydrophobicContact CG1-CD2 4.01Å; L161-N163 PolarHBondContact O-N 3.06Å; L161-A164 PolarHBondContact O-N 2.85Å; L161-L165 HydrophobicContact CD1-CD1 4.46Å; L161-L165 HydrophobicContact CD1-CG 4.3Å; L161-L165 HydrophobicContact CG-CD1 4.24Å; L161-L165 HydrophobicContact CG-CG 4.44Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.28Å
162	L	95.9	Very high	94.6	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.194	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-48.7	177.6	179.9	59.1	0	0	0	111.4	L122 V157 V159 A164 L165 H166	L122-L162 HydrophobicContact CB-CD1 3.81Å; L122-L162 HydrophobicContact CD1-CD1 4.16Å; L122-L162 HydrophobicContact CG-CD1 4.47Å; V157-L162 PolarHBondContact O-N 3.07Å; V159-L162 PolarHBondContact O-N 2.87Å; L162-A164 VanDerWaalsContact C-N 3.35Å; L162-A164 PolarHBondContact O-N 3.35Å; L162-L165 PolarHBondContact O-N 2.93Å; L162-H166 PolarHBondContact O-N 3.34Å
163	N	94.6	Very high	94.8	Very high	35 Å²	35	50.9 Å²	50.9	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-44	176.9	-70.2	-17.4	0	0	0	111.7	V159 E160 L161 L165 H166 S167 Y189	V159-N163 WeakPolarHBondContact O-CB 3.46Å; V159-N163 PolarHBondContact O-N 3.16Å; V159-N163 PolarHBondContact O-ND2 2.87Å; V159-N163 VanDerWaalsContact O-ND2 3.12Å; V159-N163 PolarHBondContact O-OD1 3.13Å; E160-N163 PolarHBondContact O-N 3.33Å; L161-N163 PolarHBondContact O-N 3.06Å; N163-L165 PolarHBondContact O-N 3.49Å; N163-H166 PolarHBondContact O-N 3.5Å; N163-S167 PolarHBondContact O-N 3.09Å; N163-Y189 HydrophobicContact CB-CD1 4.46Å; N163-Y189 HydrophobicContact CB-CD2 3.68Å; N163-Y189 HydrophobicContact CB-CE1 4.25Å; N163-Y189 HydrophobicContact CB-CE2 3.41Å; N163-Y189 VanDerWaalsContact CB-CE2 3.41Å; N163-Y189 HydrophobicContact CB-CG 4.22Å; N163-Y189 VanDerWaalsContact OD1-CE2 3.29Å; N163-Y189 WeakPolarHBondContact OD1-CE2 3.34Å
164	A	94.8	Very high	94.9	Very high	19 Å²	19	51 Å²	51	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-46	176.4	0	0	0	0	0	110.7	L153 E160 L161 L162 S167 H168	L153-A164 HydrophobicContact CD2-CB 3.87Å; E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.43Å; E160-A164 PolarHBondContact O-N 3.11Å; L161-A164 PolarHBondContact O-N 2.85Å; L162-A164 VanDerWaalsContact C-N 3.35Å; L162-A164 PolarHBondContact O-N 3.35Å; A164-S167 WeakPolarHBondContact O-CB 3.39Å; A164-S167 PolarHBondContact O-N 2.99Å; A164-S167 PolarHBondContact O-OG 2.88Å; A164-H168 PolarHBondContact O-N 2.75Å; A164-H168 PolarHBondContact O-ND1 3.04Å
165	L	97.1	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-41.5	178.2	-63.2	178.9	0	0	0	112.6	S120 L122 Y134 W142 L161 L162 N163 S167 H168 M169	S120-L165 WeakPolarHBondContact OG-CD1 3.4Å; L122-L165 HydrophobicContact CD2-CB 3.66Å; L122-L165 HydrophobicContact CD2-CD1 3.94Å; L122-L165 HydrophobicContact CD2-CG 4.45Å; Y134-L165 WeakPolarHBondContact OH-CD2 3.37Å; W142-L165 HydrophobicContact CH2-CD2 4.27Å; W142-L165 HydrophobicContact CZ2-CD2 3.9Å; L161-L165 HydrophobicContact CD1-CD1 4.46Å; L161-L165 HydrophobicContact CD1-CG 4.3Å; L161-L165 HydrophobicContact CG-CD1 4.24Å; L161-L165 HydrophobicContact CG-CG 4.44Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.28Å; L162-L165 PolarHBondContact O-N 2.93Å; N163-L165 PolarHBondContact O-N 3.49Å; L165-S167 PolarHBondContact O-N 2.79Å; L165-H168 WeakPolarHBondContact O-CA 3.44Å; L165-H168 WeakPolarHBondContact O-CB 3.13Å; L165-H168 PolarHBondContact O-N 2.79Å; L165-M169 WeakPolarHBondContact O-CG 3.35Å
166	H	96.9	Very high	94.8	Very high	30 Å²	30	42.4 Å²	42.4	14%	0.139	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-29.6	173	-82.9	153.2	0	0	0	112.5	L122 E125 L162 N163 H168 M169 M188 Y189	L122-H166 VanDerWaalsContact CD1-NE2 3.35Å; L122-H166 WeakPolarHBondContact CD1-NE2 3.42Å; E125-H166 IonicContact OE2-CD2 2.92Å; E125-H166 IonicContact OE2-CE1 3.63Å; E125-H166 IonicContact OE2-NE2 3.62Å; E125-H166 PolarHBondContact OE2-NE2 2.89Å; L162-H166 PolarHBondContact O-N 3.34Å; N163-H166 PolarHBondContact O-N 3.5Å; H166-H168 PolarHBondContact O-N 2.85Å; H166-M169 PolarHBondContact O-N 3.3Å; H166-M169 VanDerWaalsContact O-N 3.08Å; H166-M188 HydrophobicContact CB-CB 4.2Å; H166-M188 PolarHBondContact O-N 3.42Å; H166-Y189 PolarHBondContact O-N 3.28Å
167	S	96.2	Very high	94.5	Very high	17 Å²	17	45.2 Å²	45.2	12%	0.119	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-21.2	173.5	81.2	0	0	0	0	112.7	N163 A164 L165 M169 S187 L194	N163-S167 PolarHBondContact O-N 3.09Å; A164-S167 WeakPolarHBondContact O-CB 3.39Å; A164-S167 PolarHBondContact O-N 2.99Å; A164-S167 PolarHBondContact O-OG 2.88Å; L165-S167 PolarHBondContact O-N 2.79Å; S167-M169 VanDerWaalsContact C-N 3.32Å; S167-S187 WeakPolarHBondContact O-CB 3.23Å; S167-L194 WeakPolarHBondContact O-CD2 3.41Å
168	H	97.9	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.2	173.7	-65.2	64.3	0	0	0	113.5	Y134 F135 P137 A164 L165 H166 L230	Y134-H168 HydrophobicContact CE2-CB 4.23Å; F135-H168 WeakPolarHBondContact CB-O 3.23Å; F135-H168 WeakPolarHBondContact CD2-O 3.43Å; F135-H168 PolarHBondContact N-O 2.78Å; F135-H168 PolarHBondContact O-CD2 3.48Å; P137-H168 WeakPolarHBondContact CG-NE2 3.45Å; A164-H168 PolarHBondContact O-N 2.75Å; A164-H168 PolarHBondContact O-ND1 3.04Å; L165-H168 WeakPolarHBondContact O-CA 3.44Å; L165-H168 WeakPolarHBondContact O-CB 3.13Å; L165-H168 PolarHBondContact O-N 2.79Å; H166-H168 PolarHBondContact O-N 2.85Å; H168-L230 PolarHBondContact CE1-N 2.98Å; H168-L230 PolarHBondContact CE1-O 3.02Å; H168-L230 VanDerWaalsContact CE1-O 3.31Å; H168-L230 WeakPolarHBondContact NE2-CB 3.47Å; H168-L230 PolarHBondContact NE2-N 3.07Å
169	M	98	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151	-172.4	-68	176.8	66.1	0	0	112.9	L122 I126 Y132 T133 Y134 L165 H166 S167 S187 M188	L122-M169 HydrophobicContact CD1-CE 4.38Å; L122-M169 HydrophobicContact CD1-SD 3.92Å; L122-M169 HydrophobicContact CD2-SD 3.7Å; L122-M169 HydrophobicContact CG-SD 4.29Å; I126-M169 HydrophobicContact CG2-CE 3.23Å; I126-M169 HydrophobicContact CG2-SD 4.21Å; Y132-M169 HydrophobicContact CD1-CE 3.98Å; Y132-M169 HydrophobicContact CG-CE 4.26Å; T133-M169 CarbonylContact O-C 3.49Å; T133-M169 VanDerWaalsContact O-CA 3.27Å; T133-M169 WeakPolarHBondContact O-CA 2.93Å; Y134-M169 HydrophobicContact CD1-CE 4.1Å; Y134-M169 HydrophobicContact CD1-CG 3.72Å; Y134-M169 HydrophobicContact CD1-SD 3.73Å; Y134-M169 HydrophobicContact CD2-CG 4.07Å; Y134-M169 HydrophobicContact CE1-CE 4.37Å; Y134-M169 HydrophobicContact CE1-CG 3.88Å; Y134-M169 HydrophobicContact CE1-SD 3.54Å; Y134-M169 VanDerWaalsContact CE1-SD 3.54Å; Y134-M169 HydrophobicContact CE2-CG 4.2Å; Y134-M169 HydrophobicContact CG-CG 3.83Å; Y134-M169 HydrophobicContact CG-SD 4.45Å; L165-M169 WeakPolarHBondContact O-CG 3.35Å; H166-M169 PolarHBondContact O-N 3.3Å; H166-M169 VanDerWaalsContact O-N 3.08Å; S167-M169 VanDerWaalsContact C-N 3.32Å; M169-S187 CarbonylContact O-C 3.43Å; M169-S187 WeakPolarHBondContact O-CA 3.46Å; M169-S187 WeakPolarHBondContact O-CB 3.17Å; M169-M188 HydrophobicContact CB-CB 4.3Å; M169-M188 HydrophobicContact CB-CG 4.14Å; M169-M188 HydrophobicContact CB-SD 3.65Å; M169-M188 HydrophobicContact CE-CE 4.23Å; M169-M188 HydrophobicContact CE-SD 3.83Å; M169-M188 PolarHBondContact O-N 3.48Å
170	V	97.9	Very high	94.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.4	172	-176.5	0	0	0	0	108.5	Y132 T133 F135 K172 I185 L194	Y132-V170 CarbonylContact C-O 2.94Å; Y132-V170 WeakPolarHBondContact CA-O 3.48Å; T133-V170 PolarHBondContact N-O 3.46Å; T133-V170 PolarHBondContact O-N 3.14Å; F135-V170 HydrophobicContact CE2-CG2 4.05Å; V170-K172 PolarHBondContact O-N 3.17Å; V170-I185 HydrophobicContact CB-CG2 4.3Å; V170-I185 HydrophobicContact CG1-CG2 3.61Å; V170-I185 HydrophobicContact CG2-CG2 3.64Å; V170-L194 HydrophobicContact CG2-CD1 3.85Å
171	N	96.5	Very high	94.4	Very high	102 Å²	102	46.4 Å²	46.4	55%	0.545	22%	0.22	S	C	.	.	S	Bend	trans	-78.1	24.5	-179.1	68.1	-6	0	0	0	114.6	S131 M188	S131-N171 CarbonylContact O-C 3.57Å; S131-N171 VanDerWaalsContact O-O 3.05Å; N171-M188 HydrophobicContact CB-CG 4.04Å; N171-M188 HydrophobicContact CB-SD 4.13Å
172	K	96.3	Very high	94.1	Very high	137 Å²	137	47.6 Å²	47.6	60%	0.596	23%	0.232	S	C	*	.	S	Bend	trans	-144.4	148.4	174.3	-64.8	-178.8	-175.6	174.3	0	109.2	S131 T133 V170 M174	S131-K172 CarbonylContact O-C 3.56Å; S131-K172 WeakPolarHBondContact O-CA 3.37Å; S131-K172 PolarHBondContact O-N 2.86Å; T133-K172 WeakPolarHBondContact CB-O 3.15Å; T133-K172 PolarHBondContact N-O 3.42Å; T133-K172 PolarHBondContact OG1-O 3.4Å; V170-K172 PolarHBondContact O-N 3.17Å; K172-M174 PolarHBondContact O-N 3.28Å
173	R	96.6	Very high	93.9	Very high	108 Å²	108	49.1 Å²	49.1	41%	0.408	24%	0.239	S	C	.	.			trans	-71.8	119	168.9	179.4	175.5	170.7	-176.7	-4.3	111.1	S131 T133 V222	S131-R173 VanDerWaalsContact OG-CB 3.31Å; S131-R173 WeakPolarHBondContact OG-CB 3.33Å; S131-R173 PolarHBondContact OG-N 2.93Å; T133-R173 WeakPolarHBondContact OG1-CA 2.98Å; R173-V222 HydrophobicContact CG-CB 4.12Å; R173-V222 HydrophobicContact CG-CG1 3.84Å
174	M	95.8	Very high	93.8	Very high	26 Å²	26	50.8 Å²	50.8	13%	0.128	25%	0.251	C	S	.	.			trans	-128.3	111.8	-177.9	-62.6	-75.9	-68.1	0	0	108.5	T133 K172 D178 L179 M183 I185 V222 H224	T133-M174 HydrophobicContact CG2-CB 4.33Å; T133-M174 WeakPolarHBondContact OG1-CB 3.23Å; T133-M174 PolarHBondContact OG1-N 2.95Å; K172-M174 PolarHBondContact O-N 3.28Å; M174-D178 HydrophobicContact CE-CB 4.11Å; M174-D178 HydrophobicContact SD-CB 4.4Å; M174-L179 HydrophobicContact CB-CD2 4.1Å; M174-L179 HydrophobicContact CE-CD2 4.18Å; M174-M183 HydrophobicContact CE-CE 3.8Å; M174-M183 HydrophobicContact CE-SD 3.97Å; M174-I185 HydrophobicContact CE-CD1 3.73Å; M174-I185 HydrophobicContact CE-CG1 4.46Å; M174-V222 WeakPolarHBondContact O-CG1 3.49Å; M174-H224 PolarHBondContact O-NE2 3.49Å
175	L	92.9	Very high	93.8	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.157	25%	0.245	C	C	.	.			trans	-83.2	165.7	174.6	-59.1	177.8	0	0	0	110.2	K177 D178 L179 N215 I217 V222	L175-K177 HydrophobicContact CB-CG 3.92Å; L175-K177 PolarHBondContact O-N 3.49Å; L175-K177 VanDerWaalsContact O-N 3.1Å; L175-D178 WeakPolarHBondContact CB-OD2 3.48Å; L175-D178 PolarHBondContact N-OD2 2.83Å; L175-D178 WeakPolarHBondContact O-CA 3.44Å; L175-D178 WeakPolarHBondContact O-CB 3.3Å; L175-D178 PolarHBondContact O-N 2.97Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.01Å; L175-N215 WeakPolarHBondContact CA-OD1 3.44Å; L175-N215 HydrophobicContact CD2-CB 4.48Å; L175-I217 HydrophobicContact CD2-CD1 3.61Å; L175-V222 HydrophobicContact CD2-CB 4.29Å; L175-V222 HydrophobicContact CD2-CG2 3.85Å
176	T	89.5	Confident	93.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.1	178.9	58.7	0	0	0	0	112.9	Y25 D178 L179 N215	Y25-T176 HydrophobicContact CD1-CG2 4.24Å; Y25-T176 WeakPolarHBondContact CD1-OG1 3.43Å; Y25-T176 HydrophobicContact CE1-CG2 4.2Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.2Å; T176-L179 WeakPolarHBondContact O-CB 3.43Å; T176-L179 PolarHBondContact O-N 3.19Å; T176-N215 PolarHBondContact N-OD1 3Å; T176-N215 PolarHBondContact OG1-ND2 2.87Å; T176-N215 PolarHBondContact OG1-OD1 3.32Å
177	K	86.8	Confident	93.6	Very high	120 Å²	120	52.1 Å²	52.1	52%	0.522	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.1	172.5	63.4	171.6	-174.5	174.3	0	114.3	N23 L175	N23-K177 VanDerWaalsContact ND2-CA 3.34Å; N23-K177 WeakPolarHBondContact ND2-CA 3.3Å; N23-K177 VanDerWaalsContact ND2-CB 3.28Å; N23-K177 WeakPolarHBondContact ND2-CB 3.38Å; L175-K177 HydrophobicContact CB-CG 3.92Å; L175-K177 PolarHBondContact O-N 3.49Å; L175-K177 VanDerWaalsContact O-N 3.1Å
178	D	91.8	Very high	93.6	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.332	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-20.6	178.8	-49.5	-45.5	0	0	0	110.6	M174 L175 T176 K180	M174-D178 HydrophobicContact CE-CB 4.11Å; M174-D178 HydrophobicContact SD-CB 4.4Å; L175-D178 WeakPolarHBondContact CB-OD2 3.48Å; L175-D178 PolarHBondContact N-OD2 2.83Å; L175-D178 WeakPolarHBondContact O-CA 3.44Å; L175-D178 WeakPolarHBondContact O-CB 3.3Å; L175-D178 PolarHBondContact O-N 2.97Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.2Å; D178-K180 PolarHBondContact O-N 3.44Å
179	L	91.8	Very high	93.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.276	C	S	.	.			trans	-78.9	74.8	176.6	-62.6	-175.5	0	0	0	111.5	F135 M174 L175 T176 I185 I196 V204	F135-L179 HydrophobicContact CE1-CD1 3.81Å; F135-L179 HydrophobicContact CZ-CD1 4.05Å; F135-L179 HydrophobicContact CZ-CD2 4.04Å; M174-L179 HydrophobicContact CB-CD2 4.1Å; M174-L179 HydrophobicContact CE-CD2 4.18Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.01Å; T176-L179 WeakPolarHBondContact O-CB 3.43Å; T176-L179 PolarHBondContact O-N 3.19Å; L179-I185 HydrophobicContact CD2-CD1 3.55Å; L179-I196 HydrophobicContact CB-CG2 3.64Å; L179-I196 HydrophobicContact CD2-CD1 4.16Å; L179-I196 HydrophobicContact CD2-CG1 4.26Å; L179-I196 HydrophobicContact CD2-CG2 4.47Å; L179-I196 HydrophobicContact CG-CG2 4.5Å; L179-V204 HydrophobicContact CD1-CG1 4.39Å
180	K	89.8	Confident	93	Very high	144 Å²	144	62.6 Å²	62.6	63%	0.626	31%	0.31	S	S	*	.			trans	-70.8	149.7	-179.5	-62.3	-176.4	-177.4	178.5	0	112.2	D178 G182 M183 I196	D178-K180 PolarHBondContact O-N 3.44Å; K180-G182 PolarHBondContact O-N 3.21Å; K180-M183 WeakPolarHBondContact O-CB 2.95Å; K180-M183 PolarHBondContact O-N 3.37Å; K180-I196 WeakPolarHBondContact O-CG2 3.32Å
181	H	90.2	Very high	92.6	Very high	101 Å²	101	68.5 Å²	68.5	47%	0.468	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	133.3	173.6	-176.8	88.9	0	0	0	111.5	M183 H198	H181-M183 VanDerWaalsContact C-N 3.26Å; H181-M183 PolarHBondContact O-N 2.92Å; H181-H198 HydrophobicContact CB-CB 4.04Å; H181-H198 PolarHBondContact ND1-N 3.44Å; H181-H198 PolarHBondContact ND1-O 2.99Å
182	G	88.6	Confident	92.2	Very high	26 Å²	26	66.7 Å²	66.7	27%	0.268	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	8.9	-179.6	0	0	0	0	0	114.2	K180 I196	K180-G182 PolarHBondContact O-N 3.21Å; G182-I196 PolarHBondContact N-O 2.62Å
183	M	91.7	Very high	92	Very high	68 Å²	68	61.1 Å²	61.1	34%	0.335	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.9	178.5	-172.2	-179.8	-173.1	0	0	110.4	M174 K180 H181 I185 I196	M174-M183 HydrophobicContact CE-CE 3.8Å; M174-M183 HydrophobicContact CE-SD 3.97Å; K180-M183 WeakPolarHBondContact O-CB 2.95Å; K180-M183 PolarHBondContact O-N 3.37Å; H181-M183 VanDerWaalsContact C-N 3.26Å; H181-M183 PolarHBondContact O-N 2.92Å; M183-I185 HydrophobicContact CE-CD1 4.41Å; M183-I185 HydrophobicContact CE-CG1 3.87Å; M183-I185 HydrophobicContact CG-CG1 3.91Å; M183-I185 HydrophobicContact SD-CD1 4.03Å; M183-I185 HydrophobicContact SD-CG1 3.85Å; M183-I196 HydrophobicContact CB-CB 4.18Å; M183-I196 HydrophobicContact CB-CG1 4.49Å; M183-I196 PolarHBondContact N-O 2.96Å; M183-I196 WeakPolarHBondContact O-CB 3.4Å; M183-I196 PolarHBondContact O-N 3.25Å
184	V	92.9	Very high	91.9	Very high	71 Å²	71	56.1 Å²	56.1	43%	0.43	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.8	169.8	-173.7	0	0	0	0	108.5	L194 F195	V184-L194 WeakPolarHBondContact CA-O 3.24Å; V184-F195 HydrophobicContact CG1-CE1 4.39Å; V184-F195 HydrophobicContact CG1-CE2 4.11Å; V184-F195 HydrophobicContact CG1-CZ 4.05Å; V184-F195 HydrophobicContact CG2-CD1 3.74Å; V184-F195 HydrophobicContact CG2-CE1 3.51Å; V184-F195 HydrophobicContact CG2-CG 4.42Å; V184-F195 HydrophobicContact CG2-CZ 4Å
185	I	94.4	Very high	91.8	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.1	-177.1	-54.4	171.3	0	0	0	109.1	V170 M174 L179 M183 S187 L194 I196	V170-I185 HydrophobicContact CB-CG2 4.3Å; V170-I185 HydrophobicContact CG1-CG2 3.61Å; V170-I185 HydrophobicContact CG2-CG2 3.64Å; M174-I185 HydrophobicContact CE-CD1 3.73Å; M174-I185 HydrophobicContact CE-CG1 4.46Å; L179-I185 HydrophobicContact CD2-CD1 3.55Å; M183-I185 HydrophobicContact CE-CD1 4.41Å; M183-I185 HydrophobicContact CE-CG1 3.87Å; M183-I185 HydrophobicContact CG-CG1 3.91Å; M183-I185 HydrophobicContact SD-CD1 4.03Å; M183-I185 HydrophobicContact SD-CG1 3.85Å; I185-S187 PolarHBondContact O-N 2.86Å; I185-L194 HydrophobicContact CB-CB 4.39Å; I185-L194 PolarHBondContact N-O 3.49Å; I185-L194 WeakPolarHBondContact O-CB 3.4Å; I185-L194 PolarHBondContact O-N 3.4Å; I185-I196 HydrophobicContact CD1-CD1 4.02Å; I185-I196 HydrophobicContact CD1-CG1 3.59Å; I185-I196 HydrophobicContact CG1-CG1 4.04Å
186	P	94.9	Very high	91.9	Very high	67 Å²	67	54.3 Å²	54.3	44%	0.435	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	124.9	172.8	28	-33.1	0	0	0	109.9	N191	P186-N191 HydrophobicContact CB-CB 4.16Å
187	S	95.4	Very high	92.1	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.021	28%	0.284	C	S	.	.			trans	-73.9	170.5	170.5	68.3	0	0	0	0	111.4	S167 M169 I185 Y189 L192	S167-S187 WeakPolarHBondContact O-CB 3.23Å; M169-S187 CarbonylContact O-C 3.43Å; M169-S187 WeakPolarHBondContact O-CA 3.46Å; M169-S187 WeakPolarHBondContact O-CB 3.17Å; I185-S187 PolarHBondContact O-N 2.86Å; S187-Y189 PolarHBondContact O-N 3.48Å; S187-Y189 PolarHBondContact OG-N 3.1Å; S187-Y189 PolarHBondContact OG-O 3.25Å; S187-L192 WeakPolarHBondContact CB-O 3.5Å; S187-L192 PolarHBondContact N-O 3.39Å; S187-L192 PolarHBondContact OG-N 3.43Å; S187-L192 PolarHBondContact OG-O 3.37Å
188	M	95.7	Very high	92.3	Very high	44 Å²	44	49.5 Å²	49.5	22%	0.217	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.1	176.7	-68.7	177.7	57.4	0	0	113.4	E125 Y132 H166 M169 N171	E125-M188 WeakPolarHBondContact OE1-CE 3.29Å; Y132-M188 HydrophobicContact CD1-CE 3.99Å; Y132-M188 HydrophobicContact CD1-SD 3.72Å; Y132-M188 HydrophobicContact CE1-CE 3.73Å; Y132-M188 HydrophobicContact CE1-SD 4.09Å; H166-M188 HydrophobicContact CB-CB 4.2Å; H166-M188 PolarHBondContact O-N 3.42Å; M169-M188 HydrophobicContact CB-CB 4.3Å; M169-M188 HydrophobicContact CB-CG 4.14Å; M169-M188 HydrophobicContact CB-SD 3.65Å; M169-M188 HydrophobicContact CE-CE 4.23Å; M169-M188 HydrophobicContact CE-SD 3.83Å; M169-M188 PolarHBondContact O-N 3.48Å; N171-M188 HydrophobicContact CB-CG 4.04Å; N171-M188 HydrophobicContact CB-SD 4.13Å
189	Y	93.9	Very high	92.3	Very high	60 Å²	60	47 Å²	47	24%	0.235	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	111.1	174.8	179.8	-119	0	0	0	111	N163 H166 S187 N191 L192	N163-Y189 HydrophobicContact CB-CD1 4.46Å; N163-Y189 HydrophobicContact CB-CD2 3.68Å; N163-Y189 HydrophobicContact CB-CE1 4.25Å; N163-Y189 HydrophobicContact CB-CE2 3.41Å; N163-Y189 VanDerWaalsContact CB-CE2 3.41Å; N163-Y189 HydrophobicContact CB-CG 4.22Å; N163-Y189 VanDerWaalsContact OD1-CE2 3.29Å; N163-Y189 WeakPolarHBondContact OD1-CE2 3.34Å; H166-Y189 PolarHBondContact O-N 3.28Å; S187-Y189 PolarHBondContact O-N 3.48Å; S187-Y189 PolarHBondContact OG-N 3.1Å; S187-Y189 PolarHBondContact OG-O 3.25Å; Y189-N191 PolarHBondContact O-N 2.97Å; Y189-L192 HydrophobicContact CD1-CD1 3.49Å; Y189-L192 VanDerWaalsContact CD1-CD1 3.49Å; Y189-L192 HydrophobicContact CD1-CG 4.24Å; Y189-L192 HydrophobicContact CE1-CD1 3.85Å; Y189-L192 WeakPolarHBondContact O-CG 3.37Å; Y189-L192 PolarHBondContact O-N 2.97Å
190	N	90.2	Very high	92.1	Very high	133 Å²	133	51.4 Å²	51.4	71%	0.711	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	27.4	175.6	-160.2	25.9	0	0	0	114.9	L192	N190-L192 PolarHBondContact O-N 2.93Å; N190-L192 VanDerWaalsContact O-N 3.16Å
191	N	88.8	Confident	91.9	Very high	127 Å²	127	46.1 Å²	46.1	68%	0.679	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	29.4	-172.6	-57	-45.7	0	0	0	114.2	P186 Y189 G193	P186-N191 HydrophobicContact CB-CB 4.16Å; Y189-N191 PolarHBondContact O-N 2.97Å; N191-G193 PolarHBondContact O-N 2.82Å
192	L	89.3	Confident	91.7	Very high	64 Å²	64	41.6 Å²	41.6	34%	0.335	24%	0.237	S	C	.	.			trans	-58.7	133.9	176.6	-72.2	179.5	0	0	0	110	S187 Y189 N190	S187-L192 WeakPolarHBondContact CB-O 3.5Å; S187-L192 PolarHBondContact N-O 3.39Å; S187-L192 PolarHBondContact OG-N 3.43Å; S187-L192 PolarHBondContact OG-O 3.37Å; Y189-L192 HydrophobicContact CD1-CD1 3.49Å; Y189-L192 VanDerWaalsContact CD1-CD1 3.49Å; Y189-L192 HydrophobicContact CD1-CG 4.24Å; Y189-L192 HydrophobicContact CE1-CD1 3.85Å; Y189-L192 WeakPolarHBondContact O-CG 3.37Å; Y189-L192 PolarHBondContact O-N 2.97Å; N190-L192 PolarHBondContact O-N 2.93Å; N190-L192 VanDerWaalsContact O-N 3.16Å
193	G	91.5	Very high	91.8	Very high	20 Å²	20	41 Å²	41	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.4	-177.9	0	0	0	0	0	112.9	N191 F195	N191-G193 PolarHBondContact O-N 2.82Å; G193-F195 WeakPolarHBondContact O-CD2 3.32Å
194	L	94.3	Very high	91.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.8	167.5	-68.6	172	0	0	0	109.3	F135 S167 V170 V184 I185 V206 L230	F135-L194 HydrophobicContact CD2-CD1 3.99Å; F135-L194 HydrophobicContact CE2-CD1 3.93Å; S167-L194 WeakPolarHBondContact O-CD2 3.41Å; V170-L194 HydrophobicContact CG2-CD1 3.85Å; V184-L194 WeakPolarHBondContact CA-O 3.24Å; I185-L194 HydrophobicContact CB-CB 4.39Å; I185-L194 PolarHBondContact N-O 3.49Å; I185-L194 WeakPolarHBondContact O-CB 3.4Å; I185-L194 PolarHBondContact O-N 3.4Å; L194-V206 HydrophobicContact CB-CG1 4.12Å; L194-V206 HydrophobicContact CD2-CG1 3.9Å; L194-V206 HydrophobicContact CG-CG1 4.47Å; L194-L230 HydrophobicContact CD2-CD1 3.61Å
195	F	94.1	Very high	92.1	Very high	16 Å²	16	34.4 Å²	34.4	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.4	-176	-71.9	-99.5	0	0	0	110.3	V184 G193 V206 N207 I233 K354	V184-F195 HydrophobicContact CG1-CE1 4.39Å; V184-F195 HydrophobicContact CG1-CE2 4.11Å; V184-F195 HydrophobicContact CG1-CZ 4.05Å; V184-F195 HydrophobicContact CG2-CD1 3.74Å; V184-F195 HydrophobicContact CG2-CE1 3.51Å; V184-F195 HydrophobicContact CG2-CG 4.42Å; V184-F195 HydrophobicContact CG2-CZ 4Å; G193-F195 WeakPolarHBondContact O-CD2 3.32Å; F195-V206 CarbonylContact O-C 3.38Å; F195-V206 WeakPolarHBondContact O-CA 3.38Å; F195-N207 WeakPolarHBondContact CB-OD1 3.45Å; F195-N207 PolarHBondContact N-OD1 2.97Å; F195-N207 PolarHBondContact O-N 3.18Å; F195-I233 HydrophobicContact CD2-CD1 3.77Å; F195-I233 HydrophobicContact CE2-CD1 3.15Å; F195-I233 HydrophobicContact CZ-CD1 4Å; F195-K354 WeakPolarHBondContact CE1-O 3.46Å; F195-K354 HydrophobicContact CZ-CB 4.35Å; F195-K354 HydrophobicContact CZ-CG 3.94Å; F195-K354 VanDerWaalsContact CZ-O 3.32Å; F195-K354 WeakPolarHBondContact CZ-O 3.45Å
196	I	95.1	Very high	92.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124	-176	-54.4	-56.7	0	0	0	110	F135 L179 K180 G182 M183 I185 T205 V206	F135-I196 HydrophobicContact CZ-CD1 4.32Å; L179-I196 HydrophobicContact CB-CG2 3.64Å; L179-I196 HydrophobicContact CD2-CD1 4.16Å; L179-I196 HydrophobicContact CD2-CG1 4.26Å; L179-I196 HydrophobicContact CD2-CG2 4.47Å; L179-I196 HydrophobicContact CG-CG2 4.5Å; K180-I196 WeakPolarHBondContact O-CG2 3.32Å; G182-I196 PolarHBondContact N-O 2.62Å; M183-I196 HydrophobicContact CB-CB 4.18Å; M183-I196 HydrophobicContact CB-CG1 4.49Å; M183-I196 PolarHBondContact N-O 2.96Å; M183-I196 WeakPolarHBondContact O-CB 3.4Å; M183-I196 PolarHBondContact O-N 3.25Å; I185-I196 HydrophobicContact CD1-CD1 4.02Å; I185-I196 HydrophobicContact CD1-CG1 3.59Å; I185-I196 HydrophobicContact CG1-CG1 4.04Å; I196-T205 WeakPolarHBondContact CA-O 3.5Å; I196-V206 HydrophobicContact CD1-CB 4.18Å; I196-V206 HydrophobicContact CD1-CG1 3.89Å; I196-V206 HydrophobicContact CD1-CG2 3.7Å
197	N	93.4	Very high	92.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.4	172.2	-54.5	-73	0	0	0	110.6	Y199 V204 T205 L309	N197-Y199 HydrophobicContact CB-CE2 3.66Å; N197-V204 CarbonylContact O-C 3.43Å; N197-V204 WeakPolarHBondContact O-CA 3.5Å; N197-T205 WeakPolarHBondContact CB-OG1 3.36Å; N197-T205 PolarHBondContact N-O 2.93Å; N197-T205 PolarHBondContact O-N 2.83Å; N197-T205 PolarHBondContact O-OG1 3.2Å; N197-L309 WeakPolarHBondContact ND2-CD2 3.06Å
198	H	91.7	Very high	92.2	Very high	18 Å²	18	31.6 Å²	31.6	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123	175.3	-162.6	-48.3	0	0	0	109.2	N23 Y24 Y25 H181 V204	N23-H198 PolarHBondContact OD1-NE2 3.24Å; Y24-H198 AromaticContact CD2-ND1 3.89Å; Y25-H198 WeakPolarHBondContact CB-NE2 3.11Å; Y25-H198 PolarHBondContact N-CE1 3.2Å; Y25-H198 PolarHBondContact N-NE2 3.14Å; H181-H198 HydrophobicContact CB-CB 4.04Å; H181-H198 PolarHBondContact ND1-N 3.44Å; H181-H198 PolarHBondContact ND1-O 2.99Å; H198-V204 WeakPolarHBondContact NE2-CG2 3.5Å
199	Y	90.6	Very high	92.3	Very high	8 Å²	8	29.5 Å²	29.5	3%	0.031	16%	0.164	C	C	.	.			trans	-103.4	154.4	-174.6	-64.3	-82.8	0	0	0	112	N197 N201 G202 V203 T205 L309 C311 A314	N197-Y199 HydrophobicContact CB-CE2 3.66Å; Y199-N201 VanDerWaalsContact CB-OD1 3.23Å; Y199-N201 WeakPolarHBondContact CB-OD1 3.48Å; Y199-N201 PolarHBondContact O-N 3.38Å; Y199-N201 VanDerWaalsContact O-N 3.16Å; Y199-G202 PolarHBondContact O-N 3.13Å; Y199-V203 HydrophobicContact CD2-CB 4.28Å; Y199-V203 HydrophobicContact CD2-CG1 4.24Å; Y199-V203 WeakPolarHBondContact CD2-O 3.21Å; Y199-V203 PolarHBondContact N-O 3.07Å; Y199-T205 HydrophobicContact CE2-CG2 4.07Å; Y199-L309 WeakPolarHBondContact CE1-O 3.38Å; Y199-L309 PolarHBondContact OH-O 2.87Å; Y199-C311 PolarHBondContact OH-N 3.18Å; Y199-C311 VanDerWaalsContact OH-N 3.07Å; Y199-C311 PolarHBondContact OH-SG 3.33Å; Y199-A314 HydrophobicContact CD1-CB 3.63Å; Y199-A314 HydrophobicContact CD2-CB 3.46Å; Y199-A314 VanDerWaalsContact CD2-CB 3.46Å; Y199-A314 HydrophobicContact CE1-CB 3.59Å; Y199-A314 HydrophobicContact CE2-CB 3.42Å; Y199-A314 VanDerWaalsContact CE2-CB 3.42Å; Y199-A314 HydrophobicContact CG-CB 3.57Å; Y199-A314 VanDerWaalsContact CZ-CB 3.49Å
200	P	88.1	Confident	92.3	Very high	95 Å²	95	27.3 Å²	27.3	62%	0.617	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.4	-179.6	-25.6	35.3	0	0	0	114.6	Y24 G202	Y24-P200 HydrophobicContact CD1-CB 4.41Å; Y24-P200 WeakPolarHBondContact CD1-O 3.43Å; Y24-P200 HydrophobicContact CE1-CB 4.2Å; P200-G202 PolarHBondContact O-N 3.24Å
201	N	85.7	Confident	92.5	Very high	32 Å²	32	21.4 Å²	21.4	17%	0.171	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.4	176.1	62.4	6.9	0	0	0	113.6	Y199 V203 A314 T316	Y199-N201 VanDerWaalsContact CB-OD1 3.23Å; Y199-N201 WeakPolarHBondContact CB-OD1 3.48Å; Y199-N201 PolarHBondContact O-N 3.38Å; Y199-N201 VanDerWaalsContact O-N 3.16Å; N201-V203 WeakPolarHBondContact OD1-CB 3.45Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.49Å; N201-V203 PolarHBondContact OD1-N 3.29Å; N201-V203 VanDerWaalsContact OD1-N 3.11Å; N201-A314 PolarHBondContact ND2-O 3.36Å; N201-T316 PolarHBondContact ND2-OG1 3.05Å
202	G	86.4	Confident	92.5	Very high	6 Å²	6	16.8 Å²	16.8	6%	0.062	10%	0.099	C	C	.	.	S	Bend	trans	88.2	-2.8	179.2	0	0	0	0	0	114.4	Y25 Y199 P200	Y25-G202 WeakPolarHBondContact CD2-O 3.42Å; Y199-G202 PolarHBondContact O-N 3.13Å; P200-G202 PolarHBondContact O-N 3.24Å
203	V	90.3	Very high	92.3	Very high	13 Å²	13	16.1 Å²	16.1	8%	0.079	9%	0.093	C	C	.	.			trans	-68.7	133.2	173.9	176.1	0	0	0	0	109.4	Y199 N201 T205 R210	Y199-V203 HydrophobicContact CD2-CB 4.28Å; Y199-V203 HydrophobicContact CD2-CG1 4.24Å; Y199-V203 WeakPolarHBondContact CD2-O 3.21Å; Y199-V203 PolarHBondContact N-O 3.07Å; N201-V203 WeakPolarHBondContact OD1-CB 3.45Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.49Å; N201-V203 PolarHBondContact OD1-N 3.29Å; N201-V203 VanDerWaalsContact OD1-N 3.11Å; V203-T205 HydrophobicContact CG1-CG2 3.98Å; V203-R210 HydrophobicContact CG1-CG 4Å
204	V	93.6	Very high	92.1	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.5	172.5	-173.5	0	0	0	0	107.8	Y25 L179 N197 H198 R210 V211	Y25-V204 HydrophobicContact CD2-CG2 4.08Å; Y25-V204 HydrophobicContact CG-CG2 4.35Å; L179-V204 HydrophobicContact CD1-CG1 4.39Å; N197-V204 CarbonylContact O-C 3.43Å; N197-V204 WeakPolarHBondContact O-CA 3.5Å; H198-V204 WeakPolarHBondContact NE2-CG2 3.5Å; V204-R210 WeakPolarHBondContact O-CA 3.18Å; V204-V211 HydrophobicContact CB-CB 4.34Å; V204-V211 HydrophobicContact CB-CG2 4.19Å; V204-V211 HydrophobicContact CG1-CG2 4.15Å; V204-V211 PolarHBondContact O-N 2.8Å
205	T	95.7	Very high	92	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	178.3	63.6	0	0	0	0	111.9	I196 N197 Y199 V203 A209 R210 C311	I196-T205 WeakPolarHBondContact CA-O 3.5Å; N197-T205 WeakPolarHBondContact CB-OG1 3.36Å; N197-T205 PolarHBondContact N-O 2.93Å; N197-T205 PolarHBondContact O-N 2.83Å; N197-T205 PolarHBondContact O-OG1 3.2Å; Y199-T205 HydrophobicContact CE2-CG2 4.07Å; V203-T205 HydrophobicContact CG1-CG2 3.98Å; T205-A209 CarbonylContact C-O 3.53Å; T205-A209 WeakPolarHBondContact CA-O 3.41Å; T205-R210 HydrophobicContact CG2-CB 4.36Å; T205-C311 HydrophobicContact CG2-CB 4.31Å
206	V	96.7	Very high	91.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.6	173.5	-173.4	0	0	0	0	107.2	F135 L194 F195 I196 C208 A209 V211 L230	F135-V206 HydrophobicContact CD1-CG2 3.67Å; F135-V206 HydrophobicContact CD2-CG1 4.3Å; F135-V206 HydrophobicContact CE1-CG2 3.58Å; F135-V206 HydrophobicContact CE2-CG1 4.42Å; F135-V206 HydrophobicContact CG-CG1 4.42Å; F135-V206 HydrophobicContact CG-CG2 4.21Å; F135-V206 HydrophobicContact CZ-CG2 4.04Å; L194-V206 HydrophobicContact CB-CG1 4.12Å; L194-V206 HydrophobicContact CD2-CG1 3.9Å; L194-V206 HydrophobicContact CG-CG1 4.47Å; F195-V206 CarbonylContact O-C 3.38Å; F195-V206 WeakPolarHBondContact O-CA 3.38Å; I196-V206 HydrophobicContact CD1-CB 4.18Å; I196-V206 HydrophobicContact CD1-CG1 3.89Å; I196-V206 HydrophobicContact CD1-CG2 3.7Å; V206-C208 PolarHBondContact O-N 3.27Å; V206-A209 PolarHBondContact N-O 2.9Å; V206-A209 VanDerWaalsContact O-CB 3.3Å; V206-A209 WeakPolarHBondContact O-CB 3.35Å; V206-A209 PolarHBondContact O-N 2.88Å; V206-V211 HydrophobicContact CG2-CG2 4.35Å; V206-L230 HydrophobicContact CG1-CD1 3.97Å; V206-L230 VanDerWaalsContact O-CD2 3.3Å; V206-L230 WeakPolarHBondContact O-CD2 3.45Å
207	N	96	Very high	91.7	Very high	16 Å²	16	19.4 Å²	19.4	9%	0.086	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	46.7	-168.4	-57.8	-6.3	0	0	0	111.7	F195 A209 L230 I233 V352	F195-N207 WeakPolarHBondContact CB-OD1 3.45Å; F195-N207 PolarHBondContact N-OD1 2.97Å; F195-N207 PolarHBondContact O-N 3.18Å; N207-A209 PolarHBondContact O-N 3.18Å; N207-L230 HydrophobicContact CB-CD2 4.21Å; N207-I233 HydrophobicContact CB-CG2 4.43Å; N207-V352 HydrophobicContact CB-CG1 4.35Å; N207-V352 WeakPolarHBondContact O-CG2 3.22Å
208	C	96.1	Very high	91.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	3	-174.4	-65.6	0	0	0	0	117.6	V206 C311 D350 V352	V206-C208 PolarHBondContact O-N 3.27Å; C208-C311 WeakPolarHBondContact CA-SG 3.36Å; C208-C311 HydrophobicContact CB-CB 3.58Å; C208-C311 WeakPolarHBondContact CB-SG 3.48Å; C208-C311 WeakPolarHBondContact SG-CB 3.31Å; C208-C311 CovalentContact SG-SG 2.04Å; C208-C311 PolarHBondContact SG-SG 2.9Å; C208-D350 HydrophobicContact CB-CB 3.98Å; C208-V352 HydrophobicContact CB-CG2 3.91Å
209	A	96.4	Very high	91.9	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.1	164.5	0	0	0	0	0	109.8	T205 V206 N207 I226 D227 R228 L230	T205-A209 CarbonylContact C-O 3.53Å; T205-A209 WeakPolarHBondContact CA-O 3.41Å; V206-A209 PolarHBondContact N-O 2.9Å; V206-A209 VanDerWaalsContact O-CB 3.3Å; V206-A209 WeakPolarHBondContact O-CB 3.35Å; V206-A209 PolarHBondContact O-N 2.88Å; N207-A209 PolarHBondContact O-N 3.18Å; A209-I226 HydrophobicContact CB-CB 4.25Å; A209-I226 HydrophobicContact CB-CD1 4.15Å; A209-D227 WeakPolarHBondContact CA-OD1 3.31Å; A209-R228 HydrophobicContact CB-CB 3.93Å; A209-L230 HydrophobicContact CB-CD2 3.59Å
210	R	94.8	Very high	92.1	Very high	14 Å²	14	23.2 Å²	23.2	5%	0.053	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.2	-177.2	174.9	174.9	56.5	67	23.1	110.9	K55 V203 V204 T205 I212 I226 D227 E313	K55-R210 PolarHBondContact O-NH1 3.07Å; V203-R210 HydrophobicContact CG1-CG 4Å; V204-R210 WeakPolarHBondContact O-CA 3.18Å; T205-R210 HydrophobicContact CG2-CB 4.36Å; R210-I212 PolarHBondContact O-N 3.34Å; R210-I226 CarbonylContact O-C 3.59Å; R210-I226 VanDerWaalsContact O-CA 3.29Å; R210-I226 WeakPolarHBondContact O-CA 3.25Å; R210-D227 WeakPolarHBondContact CB-OD2 3.37Å; R210-D227 IonicContact CZ-OD2 2.92Å; R210-D227 PolarHBondContact N-OD1 3.35Å; R210-D227 IonicContact NE-OD2 2.88Å; R210-D227 IonicContact NH2-OD2 2.79Å; R210-D227 PolarHBondContact NH2-OD2 3.25Å; R210-D227 PolarHBondContact O-N 3Å; R210-E313 HydrophobicContact CB-CB 3.94Å; R210-E313 HydrophobicContact CB-CG 4.22Å; R210-E313 IonicContact CZ-OE2 3.98Å; R210-E313 IonicContact NE-OE2 3.77Å; R210-E313 PolarHBondContact NE-OE2 3.04Å; R210-E313 IonicContact NH2-OE2 2.79Å
211	V	93.6	Very high	92.5	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.7	169.6	-179	0	0	0	0	109	V204 V206 H224 V225 I226	V204-V211 HydrophobicContact CB-CB 4.34Å; V204-V211 HydrophobicContact CB-CG2 4.19Å; V204-V211 HydrophobicContact CG1-CG2 4.15Å; V204-V211 PolarHBondContact O-N 2.8Å; V206-V211 HydrophobicContact CG2-CG2 4.35Å; V211-H224 HydrophobicContact CG1-CB 4.13Å; V211-V225 CarbonylContact C-O 3.52Å; V211-V225 WeakPolarHBondContact CA-O 3.31Å; V211-I226 HydrophobicContact CG2-CG2 4.17Å
212	I	88.6	Confident	93	Very high	30 Å²	30	17.3 Å²	17.3	15%	0.154	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-51.8	176.5	-53.7	170.2	0	0	0	109.8	R210 V225 D227	R210-I212 PolarHBondContact O-N 3.34Å; I212-V225 HydrophobicContact CD1-CG1 4.43Å; I212-V225 PolarHBondContact N-O 3.01Å; I212-D227 HydrophobicContact CD1-CB 3.67Å; I212-D227 HydrophobicContact CG1-CB 3.83Å
213	H	85.5	Confident	93.6	Very high	49 Å²	49	17 Å²	17	23%	0.227	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	103.3	-179.2	-63.4	-63.9	0	0	0	109.5	H224 V225	H213-H224 CarbonylContact O-C 3.59Å; H213-H224 WeakPolarHBondContact O-CA 3.44Å; H213-V225 HydrophobicContact CB-CB 4.09Å; H213-V225 HydrophobicContact CB-CG2 4.16Å; H213-V225 PolarHBondContact N-O 3.24Å; H213-V225 PolarHBondContact O-N 2.84Å
214	G	88.4	Confident	93.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	161.9	177.7	0	0	0	0	0	113.7	Y25 P81 H224	Y25-G214 PolarHBondContact OH-N 3.21Å; P81-G214 WeakPolarHBondContact CB-O 3.31Å; G214-H224 WeakPolarHBondContact CA-ND1 3.39Å
215	N	90.4	Very high	93.9	Very high	35 Å²	35	16.6 Å²	16.6	19%	0.187	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67	38.1	167.7	-57	-37.3	0	0	0	115.8	L175 T176 I217 H224	L175-N215 WeakPolarHBondContact CA-OD1 3.44Å; L175-N215 HydrophobicContact CD2-CB 4.48Å; T176-N215 PolarHBondContact N-OD1 3Å; T176-N215 PolarHBondContact OG1-ND2 2.87Å; T176-N215 PolarHBondContact OG1-OD1 3.32Å; N215-I217 PolarHBondContact O-N 3.22Å; N215-H224 PolarHBondContact N-CE1 3.34Å; N215-H224 PolarHBondContact N-ND1 3.48Å; N215-H224 PolarHBondContact OD1-CE1 3.22Å
216	Q	91.4	Very high	94	Very high	16 Å²	16	16.6 Å²	16.6	8%	0.075	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	104.6	175.5	-62.6	-74.6	12.7	0	0	109.5	G82 T104 V108 V222 V223	G82-Q216 VanDerWaalsContact N-OE1 3.16Å; T104-Q216 HydrophobicContact CG2-CB 4.15Å; V108-Q216 HydrophobicContact CG1-CB 3.6Å; V108-Q216 HydrophobicContact CG1-CG 3.43Å; V108-Q216 VanDerWaalsContact CG1-CG 3.43Å; Q216-V222 CarbonylContact O-C 3.55Å; Q216-V222 VanDerWaalsContact O-CA 3.32Å; Q216-V222 WeakPolarHBondContact O-CA 3.48Å; Q216-V222 WeakPolarHBondContact O-CG2 3.47Å; Q216-V223 HydrophobicContact CB-CB 4.28Å; Q216-V223 WeakPolarHBondContact CB-O 3.23Å; Q216-V223 PolarHBondContact N-O 2.94Å; Q216-V223 PolarHBondContact O-N 2.92Å
217	I	91.9	Very high	93.9	Very high	59 Å²	59	17.7 Å²	17.7	30%	0.303	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.4	-169.8	-54.8	-46	0	0	0	110.5	L175 N215 V222	L175-I217 HydrophobicContact CD2-CD1 3.61Å; N215-I217 PolarHBondContact O-N 3.22Å; I217-V222 HydrophobicContact CD1-CG2 4.1Å
218	A	93.6	Very high	93.8	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.025	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	161.3	172.1	0	0	0	0	0	110.6	D99 V101 T104 N220 G221	D99-A218 CarbonylContact O-C 3.49Å; D99-A218 WeakPolarHBondContact O-CA 3.48Å; D99-A218 VanDerWaalsContact O-CB 3.24Å; D99-A218 WeakPolarHBondContact O-CB 3.27Å; V101-A218 HydrophobicContact CB-CB 4.41Å; V101-A218 HydrophobicContact CG2-CB 3.65Å; T104-A218 WeakPolarHBondContact OG1-CB 3.32Å; A218-N220 VanDerWaalsContact C-N 3.25Å; A218-N220 PolarHBondContact O-N 2.89Å; A218-G221 PolarHBondContact N-O 2.8Å; A218-G221 PolarHBondContact O-N 2.95Å; A218-G221 VanDerWaalsContact O-O 3.08Å
219	T	95.5	Very high	93.8	Very high	93 Å²	93	22.3 Å²	22.3	57%	0.571	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.7	177.8	56.2	0	0	0	0	112.1	I98 D99 H100	I98-T219 HydrophobicContact CB-CG2 4.35Å; I98-T219 HydrophobicContact CD1-CG2 4.32Å; I98-T219 HydrophobicContact CG1-CG2 4.27Å; D99-T219 PolarHBondContact O-N 3.44Å; D99-T219 PolarHBondContact O-OG1 2.93Å; H100-T219 VanDerWaalsContact CA-OG1 3.22Å; H100-T219 WeakPolarHBondContact CA-OG1 3.24Å; H100-T219 PolarHBondContact N-OG1 2.86Å
220	N	96.4	Very high	93.8	Very high	14 Å²	14	22.9 Å²	22.9	8%	0.075	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	24.6	179	65.8	-15.3	0	0	0	112.5	H100 V101 I126 G128 G130 S131 Y132 A218	H100-N220 WeakPolarHBondContact CA-OD1 3.13Å; V101-N220 WeakPolarHBondContact CG2-OD1 3.24Å; V101-N220 PolarHBondContact N-OD1 3.2Å; I126-N220 PolarHBondContact O-ND2 3.4Å; G128-N220 PolarHBondContact O-ND2 3.33Å; G130-N220 WeakPolarHBondContact O-CB 3.26Å; S131-N220 CarbonylContact C-O 3.51Å; S131-N220 WeakPolarHBondContact CA-O 3.33Å; Y132-N220 WeakPolarHBondContact CD2-O 3.48Å; Y132-N220 PolarHBondContact N-O 3.46Å; A218-N220 VanDerWaalsContact C-N 3.25Å; A218-N220 PolarHBondContact O-N 2.89Å
221	G	96.3	Very high	93.5	Very high	2 Å²	2	26 Å²	26	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-150.1	179.5	0	0	0	0	0	117.6	Y132 A218	Y132-G221 CarbonylContact O-C 3.39Å; Y132-G221 WeakPolarHBondContact O-CA 3.27Å; A218-G221 PolarHBondContact N-O 2.8Å; A218-G221 PolarHBondContact O-N 2.95Å; A218-G221 VanDerWaalsContact O-O 3.08Å
222	V	96.4	Very high	93.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.9	173.4	62.1	0	0	0	0	110.5	Y132 T133 Y134 R173 M174 L175 Q216 I217	Y132-V222 PolarHBondContact O-N 3.31Å; T133-V222 CarbonylContact C-O 3.58Å; T133-V222 WeakPolarHBondContact CA-O 3.44Å; T133-V222 HydrophobicContact CG2-CG1 3.95Å; T133-V222 WeakPolarHBondContact OG1-CG1 3.42Å; Y134-V222 PolarHBondContact N-O 3.01Å; R173-V222 HydrophobicContact CG-CB 4.12Å; R173-V222 HydrophobicContact CG-CG1 3.84Å; M174-V222 WeakPolarHBondContact O-CG1 3.49Å; L175-V222 HydrophobicContact CD2-CB 4.29Å; L175-V222 HydrophobicContact CD2-CG2 3.85Å; Q216-V222 CarbonylContact O-C 3.55Å; Q216-V222 VanDerWaalsContact O-CA 3.32Å; Q216-V222 WeakPolarHBondContact O-CA 3.48Å; Q216-V222 WeakPolarHBondContact O-CG2 3.47Å; I217-V222 HydrophobicContact CD1-CG2 4.1Å
223	V	97.4	Very high	93	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.3	173.5	179.8	0	0	0	0	109.9	V101 T104 L105 V108 Y134 A136 Q216	V101-V223 HydrophobicContact CG1-CG2 4.12Å; T104-V223 HydrophobicContact CG2-CB 3.99Å; T104-V223 HydrophobicContact CG2-CG2 3.67Å; L105-V223 HydrophobicContact CD2-CG1 3.96Å; L105-V223 HydrophobicContact CD2-CG2 4.3Å; V108-V223 HydrophobicContact CG2-CG1 3.99Å; Y134-V223 WeakPolarHBondContact O-CA 3.49Å; A136-V223 HydrophobicContact CB-CG1 3.93Å; Q216-V223 HydrophobicContact CB-CB 4.28Å; Q216-V223 WeakPolarHBondContact CB-O 3.23Å; Q216-V223 PolarHBondContact N-O 2.94Å; Q216-V223 PolarHBondContact O-N 2.92Å
224	H	96	Very high	93	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.8	168.8	-55.9	-68.6	0	0	0	108.3	T133 Y134 F135 A136 M174 V211 H213 G214 N215	T133-H224 VanDerWaalsContact CG2-CD2 3.5Å; T133-H224 WeakPolarHBondContact CG2-CD2 3.44Å; Y134-H224 PolarHBondContact O-N 2.79Å; F135-H224 CarbonylContact C-O 3.23Å; F135-H224 WeakPolarHBondContact CA-O 3.48Å; F135-H224 HydrophobicContact CD1-CB 3.86Å; F135-H224 AromaticContact CD1-CD2 3.86Å; F135-H224 HydrophobicContact CE1-CB 4.25Å; F135-H224 AromaticContact CE1-CD2 3.51Å; A136-H224 PolarHBondContact N-O 2.77Å; M174-H224 PolarHBondContact O-NE2 3.49Å; V211-H224 HydrophobicContact CG1-CB 4.13Å; H213-H224 CarbonylContact O-C 3.59Å; H213-H224 WeakPolarHBondContact O-CA 3.44Å; G214-H224 WeakPolarHBondContact CA-ND1 3.39Å; N215-H224 PolarHBondContact N-CE1 3.34Å; N215-H224 PolarHBondContact N-ND1 3.48Å; N215-H224 PolarHBondContact OD1-CE1 3.22Å
225	V	95.6	Very high	93.2	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.9	176.8	-175.5	0	0	0	0	109.3	V108 A136 V211 I212 H213	V108-V225 HydrophobicContact CB-CG2 3.83Å; V108-V225 HydrophobicContact CG2-CG2 3.53Å; A136-V225 CarbonylContact O-C 3.6Å; A136-V225 VanDerWaalsContact O-CA 3.27Å; A136-V225 WeakPolarHBondContact O-CA 3.24Å; V211-V225 CarbonylContact C-O 3.52Å; V211-V225 WeakPolarHBondContact CA-O 3.31Å; I212-V225 HydrophobicContact CD1-CG1 4.43Å; I212-V225 PolarHBondContact N-O 3.01Å; H213-V225 HydrophobicContact CB-CB 4.09Å; H213-V225 HydrophobicContact CB-CG2 4.16Å; H213-V225 PolarHBondContact N-O 3.24Å; H213-V225 PolarHBondContact O-N 2.84Å
226	I	96.6	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	155.2	178.8	62.5	172.4	0	0	0	111.7	F135 A136 P137 S138 A209 R210 V211 R228 L230	F135-I226 HydrophobicContact CB-CD1 4.14Å; F135-I226 HydrophobicContact CB-CG2 4.16Å; F135-I226 HydrophobicContact CD1-CG2 4.37Å; A136-I226 PolarHBondContact O-N 3.19Å; P137-I226 HydrophobicContact CB-CG1 4.39Å; P137-I226 HydrophobicContact CG-CD1 4.33Å; P137-I226 HydrophobicContact CG-CG1 4.36Å; S138-I226 PolarHBondContact N-O 3.32Å; A209-I226 HydrophobicContact CB-CB 4.25Å; A209-I226 HydrophobicContact CB-CD1 4.15Å; R210-I226 CarbonylContact O-C 3.59Å; R210-I226 VanDerWaalsContact O-CA 3.29Å; R210-I226 WeakPolarHBondContact O-CA 3.25Å; V211-I226 HydrophobicContact CG2-CG2 4.17Å; I226-R228 WeakPolarHBondContact CD1-O 3.38Å; I226-R228 WeakPolarHBondContact CG1-O 3.47Å; I226-L230 HydrophobicContact CD1-CD1 4.17Å; I226-L230 HydrophobicContact CD1-CD2 3.68Å; I226-L230 HydrophobicContact CD1-CG 3.67Å
227	D	94.7	Very high	93.7	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.123	19%	0.193	C	C	.	.	S	Bend	trans	-87.5	-3.3	-173.2	70.7	-11.5	0	0	0	115.6	A141 A209 R210 I212	A141-D227 WeakPolarHBondContact CB-O 3.16Å; A209-D227 WeakPolarHBondContact CA-OD1 3.31Å; R210-D227 WeakPolarHBondContact CB-OD2 3.37Å; R210-D227 IonicContact CZ-OD2 2.92Å; R210-D227 PolarHBondContact N-OD1 3.35Å; R210-D227 IonicContact NE-OD2 2.88Å; R210-D227 IonicContact NH2-OD2 2.79Å; R210-D227 PolarHBondContact NH2-OD2 3.25Å; R210-D227 PolarHBondContact O-N 3Å; I212-D227 HydrophobicContact CD1-CB 3.67Å; I212-D227 HydrophobicContact CG1-CB 3.83Å
228	R	94.7	Very high	94	Very high	102 Å²	102	34.4 Å²	34.4	39%	0.385	19%	0.188	S	C	.	.	S	Bend	trans	-143.7	151.7	178.7	-65.1	-179.1	64.5	-153.4	-3.8	110.9	A209 I226	A209-R228 HydrophobicContact CB-CB 3.93Å; I226-R228 WeakPolarHBondContact CD1-O 3.38Å; I226-R228 WeakPolarHBondContact CG1-O 3.47Å
229	V	96.6	Very high	94.1	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.079	20%	0.203	C	C	.	.			trans	-73.4	127.9	167.3	-177.1	0	0	0	0	108.1	P137 A141 W142 L145	P137-V229 HydrophobicContact CB-CG2 3.85Å; P137-V229 HydrophobicContact CG-CB 4.41Å; P137-V229 HydrophobicContact CG-CG2 4.06Å; A141-V229 HydrophobicContact CB-CG2 4.41Å; W142-V229 HydrophobicContact CD2-CG2 3.6Å; W142-V229 HydrophobicContact CE3-CG1 4.46Å; W142-V229 HydrophobicContact CE3-CG2 3.6Å; W142-V229 HydrophobicContact CG-CG2 4.11Å; W142-V229 HydrophobicContact CH2-CG1 3.91Å; W142-V229 HydrophobicContact CH2-CG2 4.26Å; W142-V229 HydrophobicContact CZ2-CG1 4.39Å; W142-V229 HydrophobicContact CZ2-CG2 4.26Å; W142-V229 HydrophobicContact CZ3-CG1 3.95Å; W142-V229 HydrophobicContact CZ3-CG2 3.95Å; L145-V229 HydrophobicContact CB-CG2 4.44Å; L145-V229 HydrophobicContact CD1-CB 4.24Å; L145-V229 HydrophobicContact CD2-CB 4.41Å; L145-V229 HydrophobicContact CD2-CG1 4.29Å; L145-V229 HydrophobicContact CD2-CG2 4.28Å
230	L	95	Very high	94.2	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	19%	0.185	C	C	.	.			trans	-71.5	132.1	176.6	-50.8	-178.9	0	0	0	109.4	H168 L194 V206 N207 A209 I226	H168-L230 PolarHBondContact CE1-N 2.98Å; H168-L230 PolarHBondContact CE1-O 3.02Å; H168-L230 VanDerWaalsContact CE1-O 3.31Å; H168-L230 WeakPolarHBondContact NE2-CB 3.47Å; H168-L230 PolarHBondContact NE2-N 3.07Å; L194-L230 HydrophobicContact CD2-CD1 3.61Å; V206-L230 HydrophobicContact CG1-CD1 3.97Å; V206-L230 VanDerWaalsContact O-CD2 3.3Å; V206-L230 WeakPolarHBondContact O-CD2 3.45Å; N207-L230 HydrophobicContact CB-CD2 4.21Å; A209-L230 HydrophobicContact CB-CD2 3.59Å; I226-L230 HydrophobicContact CD1-CD1 4.17Å; I226-L230 HydrophobicContact CD1-CD2 3.68Å; I226-L230 HydrophobicContact CD1-CG 3.67Å
231	T	89.1	Confident	94.2	Very high	80 Å²	80	34.1 Å²	34.1	49%	0.491	18%	0.181	S	C	.	.			trans	-107.6	169.4	174.5	58.3	0	0	0	0	110.3	I233	T231-I233 PolarHBondContact O-N 2.87Å
232	Q	84	Confident	94.2	Very high	153 Å²	153	37.5 Å²	37.5	72%	0.715	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-58.3	132.7	167.1	-65.3	179	2.5	0	0	109.2
233	I	87.3	Confident	94.2	Very high	47 Å²	47	41.2 Å²	41.2	24%	0.241	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-81.3	152	177.4	63	178	0	0	0	110.1	F195 N207 T231 V352	F195-I233 HydrophobicContact CD2-CD1 3.77Å; F195-I233 HydrophobicContact CE2-CD1 3.15Å; F195-I233 HydrophobicContact CZ-CD1 4Å; N207-I233 HydrophobicContact CB-CG2 4.43Å; T231-I233 PolarHBondContact O-N 2.87Å; I233-V352 HydrophobicContact CB-CG1 4.42Å; I233-V352 HydrophobicContact CG2-CB 4.22Å; I233-V352 HydrophobicContact CG2-CG1 3.79Å
234	G	86.4	Confident	94.2	Very high	28 Å²	28	44 Å²	44	29%	0.289	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-64.9	153.6	170.9	0	0	0	0	0	112	V352 T353 K354	G234-V352 PolarHBondContact N-O 3.04Å; G234-T353 CarbonylContact O-C 3.56Å; G234-T353 VanDerWaalsContact O-CA 3.28Å; G234-T353 WeakPolarHBondContact O-CA 3.43Å; G234-K354 PolarHBondContact O-N 3.01Å
235	T	90.9	Very high	94.2	Very high	97 Å²	97	50.8 Å²	50.8	60%	0.595	28%	0.276	S	S	*	.	S	Bend	trans	-64.8	-46.8	-179.3	44.5	0	0	0	0	112.5	D239 K354	T235-D239 WeakPolarHBondContact CB-OD2 3.29Å; T235-D239 WeakPolarHBondContact OG1-CB 3.46Å; T235-D239 PolarHBondContact OG1-OD2 3.1Å; T235-K354 WeakPolarHBondContact O-CB 3.49Å
236	S	95.8	Very high	94.3	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.049	29%	0.291	C	S	.	.			trans	-158.6	169	172.6	70.2	0	0	0	0	110.6	Q238 D239 F240 N355	S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact OG-N 2.92Å; S236-D239 WeakPolarHBondContact CB-OD2 3.46Å; S236-D239 PolarHBondContact N-OD2 3.1Å; S236-D239 PolarHBondContact O-N 2.67Å; S236-D239 PolarHBondContact OG-N 3.11Å; S236-D239 VanDerWaalsContact OG-N 3.08Å; S236-D239 PolarHBondContact OG-OD2 2.85Å; S236-F240 PolarHBondContact O-N 2.89Å; S236-N355 VanDerWaalsContact CA-OD1 3.31Å; S236-N355 WeakPolarHBondContact CA-OD1 3.38Å
237	I	97.5	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-44.3	171.6	-66.1	177.7	0	0	0	110.4	D239 F240 L241 L263 F269 L271 T353 N355 I358	I237-D239 PolarHBondContact O-N 3.17Å; I237-F240 PolarHBondContact O-N 3.33Å; I237-L241 HydrophobicContact CG2-CD1 4.16Å; I237-L241 HydrophobicContact CG2-CG 4.36Å; I237-L241 WeakPolarHBondContact O-CG 3.48Å; I237-L241 PolarHBondContact O-N 3.04Å; I237-L263 HydrophobicContact CB-CB 4.31Å; I237-L263 HydrophobicContact CG2-CB 4.05Å; I237-L263 HydrophobicContact CG2-CD1 4.22Å; I237-L263 HydrophobicContact CG2-CD2 4.3Å; I237-L263 HydrophobicContact CG2-CG 4.44Å; I237-F269 HydrophobicContact CD1-CB 3.71Å; I237-F269 HydrophobicContact CD1-CD2 4.46Å; I237-L271 HydrophobicContact CD1-CB 4.27Å; I237-L271 HydrophobicContact CG2-CB 4.33Å; I237-L271 HydrophobicContact CG2-CD2 3.48Å; I237-L271 VanDerWaalsContact CG2-CD2 3.48Å; I237-T353 HydrophobicContact CG1-CG2 4.35Å; I237-T353 WeakPolarHBondContact CG1-OG1 3.42Å; I237-N355 PolarHBondContact N-OD1 2.05Å; I237-I358 HydrophobicContact CB-CD1 4.31Å; I237-I358 HydrophobicContact CD1-CG1 4.47Å; I237-I358 HydrophobicContact CG1-CD1 4.17Å; I237-I358 HydrophobicContact CG1-CG1 3.98Å; I237-I358 HydrophobicContact CG2-CD1 4.01Å; I237-I358 HydrophobicContact CG2-CG1 4.23Å
238	Q	97.5	Very high	94.4	Very high	42 Å²	42	55.5 Å²	55.5	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-55	-51.4	176.4	170.6	174.7	2.3	0	0	111.9	S236 F240 L241 E242 L260 L263	S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact OG-N 2.92Å; Q238-F240 VanDerWaalsContact C-N 3.26Å; Q238-F240 PolarHBondContact O-N 2.84Å; Q238-L241 WeakPolarHBondContact O-CB 3.44Å; Q238-L241 PolarHBondContact O-N 2.85Å; Q238-L241 VanDerWaalsContact O-N 3.09Å; Q238-E242 HydrophobicContact CG-CG 4.43Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.35Å; Q238-E242 PolarHBondContact NE2-OE1 3.12Å; Q238-E242 WeakPolarHBondContact O-CG 3.34Å; Q238-E242 PolarHBondContact O-N 2.8Å; Q238-L260 HydrophobicContact CB-CD1 4.42Å; Q238-L260 HydrophobicContact CG-CD1 4.03Å; Q238-L260 HydrophobicContact CG-CG 3.93Å; Q238-L260 PolarHBondContact OE1-O 3.39Å; Q238-L263 HydrophobicContact CB-CB 4.46Å; Q238-L263 PolarHBondContact N-O 2.7Å; Q238-L263 VanDerWaalsContact N-O 3.15Å
239	D	96.9	Very high	94.4	Very high	64 Å²	64	52.7 Å²	52.7	34%	0.342	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-36.2	-176.9	-57.8	-45.8	0	0	0	111.7	T235 S236 I237 E242 A243	T235-D239 WeakPolarHBondContact CB-OD2 3.29Å; T235-D239 WeakPolarHBondContact OG1-CB 3.46Å; T235-D239 PolarHBondContact OG1-OD2 3.1Å; S236-D239 WeakPolarHBondContact CB-OD2 3.46Å; S236-D239 PolarHBondContact N-OD2 3.1Å; S236-D239 PolarHBondContact O-N 2.67Å; S236-D239 PolarHBondContact OG-N 3.11Å; S236-D239 VanDerWaalsContact OG-N 3.08Å; S236-D239 PolarHBondContact OG-OD2 2.85Å; I237-D239 PolarHBondContact O-N 3.17Å; D239-E242 PolarHBondContact O-N 3.4Å; D239-A243 WeakPolarHBondContact O-CB 3.41Å; D239-A243 PolarHBondContact O-N 2.99Å; D239-A243 VanDerWaalsContact O-N 3.11Å
240	F	96.8	Very high	94.4	Very high	40 Å²	40	52.1 Å²	52.1	18%	0.175	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-44.7	174.1	-175	-91.2	0	0	0	111.6	S236 I237 Q238 E242 A243 E244 L247 I351 T353 I358	S236-F240 PolarHBondContact O-N 2.89Å; I237-F240 PolarHBondContact O-N 3.33Å; Q238-F240 VanDerWaalsContact C-N 3.26Å; Q238-F240 PolarHBondContact O-N 2.84Å; F240-E242 PolarHBondContact O-N 3.29Å; F240-A243 PolarHBondContact O-N 3.27Å; F240-E244 HydrophobicContact CD1-CB 4.41Å; F240-E244 HydrophobicContact CE1-CB 3.98Å; F240-E244 HydrophobicContact CE1-CG 4.09Å; F240-E244 HydrophobicContact CZ-CB 4.13Å; F240-E244 HydrophobicContact CZ-CG 4.09Å; F240-E244 WeakPolarHBondContact CZ-OE2 3.05Å; F240-E244 WeakPolarHBondContact O-CB 3.49Å; F240-E244 PolarHBondContact O-N 2.98Å; F240-L247 HydrophobicContact CD1-CD1 4.1Å; F240-L247 HydrophobicContact CE1-CD1 3.74Å; F240-I351 HydrophobicContact CD2-CG2 3.91Å; F240-I351 HydrophobicContact CE1-CD1 4.19Å; F240-I351 HydrophobicContact CE1-CG2 4.35Å; F240-I351 HydrophobicContact CE2-CG2 3.65Å; F240-I351 HydrophobicContact CG-CG2 4.39Å; F240-I351 HydrophobicContact CZ-CD1 3.83Å; F240-I351 HydrophobicContact CZ-CG2 3.91Å; F240-T353 HydrophobicContact CB-CG2 4.5Å; F240-I358 HydrophobicContact CB-CD1 3.79Å; F240-I358 HydrophobicContact CD1-CD1 3.34Å; F240-I358 HydrophobicContact CE1-CD1 4.14Å; F240-I358 HydrophobicContact CG-CD1 3.68Å
241	L	96.9	Very high	94.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-30.5	175.8	-67.1	177.7	0	0	0	112.9	I237 Q238 L247 F250 L260 L263 L271	I237-L241 HydrophobicContact CG2-CD1 4.16Å; I237-L241 HydrophobicContact CG2-CG 4.36Å; I237-L241 WeakPolarHBondContact O-CG 3.48Å; I237-L241 PolarHBondContact O-N 3.04Å; Q238-L241 WeakPolarHBondContact O-CB 3.44Å; Q238-L241 PolarHBondContact O-N 2.85Å; Q238-L241 VanDerWaalsContact O-N 3.09Å; L241-L247 HydrophobicContact CD2-CB 4.2Å; L241-L247 HydrophobicContact CD2-CD1 3.53Å; L241-L247 HydrophobicContact CD2-CG 4.45Å; L241-F250 HydrophobicContact CD1-CD1 4.02Å; L241-F250 HydrophobicContact CD1-CE1 3.87Å; L241-F250 HydrophobicContact CD2-CD1 3.84Å; L241-F250 HydrophobicContact CD2-CE1 4.26Å; L241-L260 HydrophobicContact CB-CD1 4.27Å; L241-L260 HydrophobicContact CD1-CD1 3.88Å; L241-L263 HydrophobicContact CD1-CD1 3.71Å; L241-L271 HydrophobicContact CD1-CD2 4.09Å; L241-L271 HydrophobicContact CD2-CD2 4.01Å; L241-L271 HydrophobicContact CG-CD2 4.34Å
242	E	96	Very high	94.7	Very high	73 Å²	73	54.4 Å²	54.4	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-78.1	-25.5	178.3	-69.4	-177.2	-174.5	0	0	113.4	Q238 D239 F240 R251 L260	Q238-E242 HydrophobicContact CG-CG 4.43Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.35Å; Q238-E242 PolarHBondContact NE2-OE1 3.12Å; Q238-E242 WeakPolarHBondContact O-CG 3.34Å; Q238-E242 PolarHBondContact O-N 2.8Å; D239-E242 PolarHBondContact O-N 3.4Å; F240-E242 PolarHBondContact O-N 3.29Å; E242-R251 PolarHBondContact O-NH1 2.83Å; E242-L260 HydrophobicContact CG-CD2 4.41Å
243	A	96.3	Very high	95.1	Very high	77 Å²	77	47.4 Å²	47.4	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-96.2	-25.9	-177.3	0	0	0	0	0	114.4	D239 F240	D239-A243 WeakPolarHBondContact O-CB 3.41Å; D239-A243 PolarHBondContact O-N 2.99Å; D239-A243 VanDerWaalsContact O-N 3.11Å; F240-A243 PolarHBondContact O-N 3.27Å
244	E	96.6	Very high	95.4	Very high	60 Å²	60	45.2 Å²	45.2	28%	0.28	27%	0.266	S	S	.	.			trans	-88.7	112.1	-176.3	-173.8	65.7	-109.6	0	0	111.6	F240 D246 L247	F240-E244 HydrophobicContact CD1-CB 4.41Å; F240-E244 HydrophobicContact CE1-CB 3.98Å; F240-E244 HydrophobicContact CE1-CG 4.09Å; F240-E244 HydrophobicContact CZ-CB 4.13Å; F240-E244 HydrophobicContact CZ-CG 4.09Å; F240-E244 WeakPolarHBondContact CZ-OE2 3.05Å; F240-E244 WeakPolarHBondContact O-CB 3.49Å; F240-E244 PolarHBondContact O-N 2.98Å; E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 HydrophobicContact CG-CB 4.46Å; E244-D246 PolarHBondContact O-N 3.11Å; E244-L247 HydrophobicContact CB-CB 4.45Å; E244-L247 HydrophobicContact CB-CD1 4.14Å; E244-L247 HydrophobicContact CB-CG 4.26Å; E244-L247 HydrophobicContact CG-CB 4.47Å; E244-L247 HydrophobicContact CG-CD1 4.03Å; E244-L247 HydrophobicContact CG-CG 3.89Å; E244-L247 PolarHBondContact O-N 2.83Å; E244-L247 VanDerWaalsContact O-N 3.12Å
245	D	97.2	Very high	95.7	Very high	141 Å²	141	48.1 Å²	48.1	75%	0.754	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63	-33.1	-177.7	-71.6	-31.4	0	0	0	112.6	L247 S248 N276	D245-L247 PolarHBondContact O-N 2.84Å; D245-L247 VanDerWaalsContact O-N 3.1Å; D245-S248 WeakPolarHBondContact O-CB 3.47Å; D245-S248 PolarHBondContact O-N 2.77Å; D245-N276 PolarHBondContact O-ND2 2.79Å
246	D	96.8	Very high	95.6	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.342	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-69.8	-5.1	179.2	-163.5	30.2	0	0	0	113.4	E244 T275 N276	E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 HydrophobicContact CG-CB 4.46Å; E244-D246 PolarHBondContact O-N 3.11Å; D246-T275 CarbonylContact O-C 3.27Å; D246-T275 WeakPolarHBondContact O-CA 3.5Å; D246-T275 WeakPolarHBondContact OD2-CB 3.33Å; D246-T275 WeakPolarHBondContact OD2-CG2 3.16Å; D246-N276 WeakPolarHBondContact CA-ND2 3.3Å; D246-N276 PolarHBondContact O-N 2.84Å; D246-N276 PolarHBondContact O-ND2 3.11Å; D246-N276 PolarHBondContact O-OD1 3.49Å
247	L	97.7	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-112	13.3	178.2	-60.5	-177.8	0	0	0	113.4	F240 L241 E244 D245 S249 F250 R251 A273 P274 L360	F240-L247 HydrophobicContact CD1-CD1 4.1Å; F240-L247 HydrophobicContact CE1-CD1 3.74Å; L241-L247 HydrophobicContact CD2-CB 4.2Å; L241-L247 HydrophobicContact CD2-CD1 3.53Å; L241-L247 HydrophobicContact CD2-CG 4.45Å; E244-L247 HydrophobicContact CB-CB 4.45Å; E244-L247 HydrophobicContact CB-CD1 4.14Å; E244-L247 HydrophobicContact CB-CG 4.26Å; E244-L247 HydrophobicContact CG-CB 4.47Å; E244-L247 HydrophobicContact CG-CD1 4.03Å; E244-L247 HydrophobicContact CG-CG 3.89Å; E244-L247 PolarHBondContact O-N 2.83Å; E244-L247 VanDerWaalsContact O-N 3.12Å; D245-L247 PolarHBondContact O-N 2.84Å; D245-L247 VanDerWaalsContact O-N 3.1Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 2.92Å; L247-F250 PolarHBondContact O-N 3.21Å; L247-F250 VanDerWaalsContact O-N 3.14Å; L247-R251 WeakPolarHBondContact O-CB 3.49Å; L247-R251 PolarHBondContact O-N 3.03Å; L247-A273 HydrophobicContact CD1-CB 4.01Å; L247-A273 HydrophobicContact CD2-CB 3.99Å; L247-P274 WeakPolarHBondContact CD2-O 3.49Å; L247-L360 HydrophobicContact CD1-CD2 3.9Å; L247-L360 HydrophobicContact CD2-CD2 4.05Å; L247-L360 HydrophobicContact CG-CD2 4.43Å
248	S	96.9	Very high	94.8	Very high	65 Å²	65	52.9 Å²	52.9	46%	0.455	30%	0.299	S	S	.	.	H	α-helix	trans	-55.6	-40.3	-177.5	73.4	0	0	0	0	113.6	D245 A252 N276	D245-S248 WeakPolarHBondContact O-CB 3.47Å; D245-S248 PolarHBondContact O-N 2.77Å; S248-A252 WeakPolarHBondContact O-CB 3.47Å; S248-A252 PolarHBondContact O-N 2.79Å; S248-N276 PolarHBondContact N-OD1 2.87Å; S248-N276 PolarHBondContact OG-ND2 2.8Å; S248-N276 PolarHBondContact OG-OD1 2.82Å
249	S	95.1	Very high	94.5	Very high	43 Å²	43	51.4 Å²	51.4	30%	0.301	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-44.6	176.6	-64.7	0	0	0	0	112.3	L247 A252 A253 N276	L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 2.92Å; S249-A252 PolarHBondContact O-N 2.87Å; S249-A253 PolarHBondContact O-N 3.06Å; S249-A253 VanDerWaalsContact O-N 3.11Å; S249-N276 PolarHBondContact N-OD1 3.48Å; S249-N276 PolarHBondContact OG-OD1 3.47Å
250	F	96.4	Very high	94.4	Very high	1 Å²	1	49 Å²	49	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-42.9	177.4	-173.1	-99.6	0	0	0	111.4	L241 L247 A252 A253 A254 L271 P274 F279 L301 H304	L241-F250 HydrophobicContact CD1-CD1 4.02Å; L241-F250 HydrophobicContact CD1-CE1 3.87Å; L241-F250 HydrophobicContact CD2-CD1 3.84Å; L241-F250 HydrophobicContact CD2-CE1 4.26Å; L247-F250 PolarHBondContact O-N 3.21Å; L247-F250 VanDerWaalsContact O-N 3.14Å; F250-A252 PolarHBondContact O-N 2.82Å; F250-A253 PolarHBondContact O-N 3.22Å; F250-A254 WeakPolarHBondContact O-CB 3.28Å; F250-A254 PolarHBondContact O-N 3.4Å; F250-L271 HydrophobicContact CE1-CD1 3.99Å; F250-L271 HydrophobicContact CE1-CD2 4.1Å; F250-L271 HydrophobicContact CZ-CD1 3.68Å; F250-P274 HydrophobicContact CB-CG 4.48Å; F250-P274 VanDerWaalsContact CD2-CD 3.44Å; F250-P274 HydrophobicContact CD2-CG 3.46Å; F250-P274 VanDerWaalsContact CD2-CG 3.46Å; F250-P274 HydrophobicContact CE2-CG 4.01Å; F250-P274 HydrophobicContact CG-CG 4.26Å; F250-F279 HydrophobicContact CB-CE2 3.89Å; F250-F279 HydrophobicContact CB-CZ 4.32Å; F250-F279 HydrophobicContact CD2-CE2 4.31Å; F250-F279 HydrophobicContact CD2-CZ 4.16Å; F250-L301 HydrophobicContact CD2-CD2 3.82Å; F250-L301 HydrophobicContact CE2-CD2 3.36Å; F250-L301 HydrophobicContact CZ-CD2 3.8Å; F250-H304 HydrophobicContact CE2-CB 4.4Å
251	R	95.9	Very high	94.1	Very high	87 Å²	87	53 Å²	53	33%	0.328	30%	0.298	S	S	.	.	H	α-helix	trans	-57.3	-48.1	175.4	-179.9	-168.9	177	171.5	5.1	111.2	E242 L247 A253 A254 I255	E242-R251 PolarHBondContact O-NH1 2.83Å; L247-R251 WeakPolarHBondContact O-CB 3.49Å; L247-R251 PolarHBondContact O-N 3.03Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-A253 PolarHBondContact O-N 3.03Å; R251-A254 PolarHBondContact O-N 2.79Å; R251-I255 HydrophobicContact CG-CD1 4.07Å; R251-I255 WeakPolarHBondContact O-CG1 3.41Å; R251-I255 PolarHBondContact O-N 2.97Å
252	A	93.1	Very high	93.9	Very high	53 Å²	53	54.4 Å²	54.4	44%	0.438	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-46.6	178	0	0	0	0	0	111.6	S248 S249 F250 A254 I255 T256	S248-A252 WeakPolarHBondContact O-CB 3.47Å; S248-A252 PolarHBondContact O-N 2.79Å; S249-A252 PolarHBondContact O-N 2.87Å; F250-A252 PolarHBondContact O-N 2.82Å; A252-A254 VanDerWaalsContact C-N 3.33Å; A252-A254 PolarHBondContact O-N 2.86Å; A252-I255 PolarHBondContact O-N 2.84Å; A252-T256 PolarHBondContact O-N 2.84Å; A252-T256 PolarHBondContact O-OG1 2.96Å
253	A	92.8	Very high	93.8	Very high	6 Å²	6	51 Å²	51	5%	0.05	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-41.4	175.8	0	0	0	0	0	112.5	S249 F250 R251 I255 T256 S257 M291 L301	S249-A253 PolarHBondContact O-N 3.06Å; S249-A253 VanDerWaalsContact O-N 3.11Å; F250-A253 PolarHBondContact O-N 3.22Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-A253 PolarHBondContact O-N 3.03Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-I255 PolarHBondContact O-N 2.77Å; A253-T256 PolarHBondContact O-N 3.29Å; A253-S257 WeakPolarHBondContact O-CB 3.48Å; A253-S257 PolarHBondContact O-N 2.77Å; A253-S257 PolarHBondContact O-OG 3Å; A253-M291 HydrophobicContact CB-CE 3.85Å; A253-M291 HydrophobicContact CB-SD 3.57Å; A253-M291 VanDerWaalsContact CB-SD 3.57Å; A253-L301 HydrophobicContact CB-CD2 4Å; A253-L301 WeakPolarHBondContact O-CD1 3.37Å
254	A	94.2	Very high	93.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-34.4	177.8	0	0	0	0	0	113.6	F250 R251 A252 D258 L259 L260 L301	F250-A254 WeakPolarHBondContact O-CB 3.28Å; F250-A254 PolarHBondContact O-N 3.4Å; R251-A254 PolarHBondContact O-N 2.79Å; A252-A254 VanDerWaalsContact C-N 3.33Å; A252-A254 PolarHBondContact O-N 2.86Å; A254-D258 PolarHBondContact O-N 2.89Å; A254-L259 PolarHBondContact O-N 3.31Å; A254-L260 HydrophobicContact CB-CB 4.09Å; A254-L260 HydrophobicContact CB-CD1 4.26Å; A254-L260 PolarHBondContact O-N 3.41Å; A254-L301 VanDerWaalsContact CA-CD1 3.46Å; A254-L301 HydrophobicContact CB-CD1 4.17Å
255	I	92	Very high	93.6	Very high	90 Å²	90	52.7 Å²	52.7	46%	0.462	29%	0.288	S	S	.	.	H	α-helix	trans	-67.8	-48.6	171.8	-66.4	166.3	0	0	0	109.9	R251 A252 A253 S257 D258 L260	R251-I255 HydrophobicContact CG-CD1 4.07Å; R251-I255 WeakPolarHBondContact O-CG1 3.41Å; R251-I255 PolarHBondContact O-N 2.97Å; A252-I255 PolarHBondContact O-N 2.84Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-I255 PolarHBondContact O-N 2.77Å; I255-S257 PolarHBondContact O-N 3Å; I255-D258 PolarHBondContact O-N 3.13Å; I255-L260 HydrophobicContact CD1-CD2 4.19Å; I255-L260 HydrophobicContact CG1-CB 4.46Å; I255-L260 HydrophobicContact CG1-CD2 3.6Å
256	T	88.4	Confident	93.3	Very high	84 Å²	84	51.9 Å²	51.9	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-30.2	-179.4	-59.1	0	0	0	0	113.2	A252 A253	A252-T256 PolarHBondContact O-N 2.84Å; A252-T256 PolarHBondContact O-OG1 2.96Å; A253-T256 PolarHBondContact O-N 3.29Å
257	S	87.9	Confident	93	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.035	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11	-177.8	-49.5	0	0	0	0	113.9	A253 I255 L259 S297 L301	A253-S257 WeakPolarHBondContact O-CB 3.48Å; A253-S257 PolarHBondContact O-N 2.77Å; A253-S257 PolarHBondContact O-OG 3Å; I255-S257 PolarHBondContact O-N 3Å; S257-L259 PolarHBondContact O-N 3.23Å; S257-L259 VanDerWaalsContact O-N 3.1Å; S257-S297 WeakPolarHBondContact OG-CB 3.48Å; S257-S297 PolarHBondContact OG-OG 2.9Å; S257-L301 WeakPolarHBondContact OG-CD1 3.45Å
258	D	89.1	Confident	92.7	Very high	114 Å²	114	53.7 Å²	53.7	61%	0.61	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	24.4	-178.2	-55.8	-48.9	0	0	0	114.2	A254 I255 K294	A254-D258 PolarHBondContact O-N 2.89Å; I255-D258 PolarHBondContact O-N 3.13Å; D258-K294 IonicContact OD2-NZ 3.85Å; D258-K294 PolarHBondContact OD2-NZ 3.31Å
259	L	92.2	Very high	92.7	Very high	12 Å²	12	52 Å²	52	6%	0.063	28%	0.28	C	S	.	.			trans	-97.9	-22.6	-174.2	-163.2	71.1	0	0	0	112.9	A254 S257 E261 S262 L263 L301 K302 I305	A254-L259 PolarHBondContact O-N 3.31Å; S257-L259 PolarHBondContact O-N 3.23Å; S257-L259 VanDerWaalsContact O-N 3.1Å; L259-E261 VanDerWaalsContact C-N 3.3Å; L259-E261 PolarHBondContact O-N 3.11Å; L259-S262 WeakPolarHBondContact CD1-OG 3.46Å; L259-S262 WeakPolarHBondContact O-CB 3.27Å; L259-S262 PolarHBondContact O-N 3.38Å; L259-S262 PolarHBondContact O-OG 2.88Å; L259-L263 PolarHBondContact O-N 3.32Å; L259-L301 HydrophobicContact CB-CD1 4.19Å; L259-L301 HydrophobicContact CD2-CB 3.44Å; L259-L301 VanDerWaalsContact CD2-CB 3.44Å; L259-L301 HydrophobicContact CD2-CD1 4.06Å; L259-L301 HydrophobicContact CD2-CG 4.45Å; L259-K302 HydrophobicContact CD1-CG 4.3Å; L259-K302 HydrophobicContact CD2-CG 4.33Å; L259-I305 HydrophobicContact CD2-CD1 3.54Å; L259-I305 HydrophobicContact CG-CD1 4.39Å
260	L	93.5	Very high	92.8	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.073	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56.6	-42.7	-175.7	-172.7	65.3	0	0	0	112.3	Q238 L241 E242 A254 I255 S262 L263 G264	Q238-L260 HydrophobicContact CB-CD1 4.42Å; Q238-L260 HydrophobicContact CG-CD1 4.03Å; Q238-L260 HydrophobicContact CG-CG 3.93Å; Q238-L260 PolarHBondContact OE1-O 3.39Å; L241-L260 HydrophobicContact CB-CD1 4.27Å; L241-L260 HydrophobicContact CD1-CD1 3.88Å; E242-L260 HydrophobicContact CG-CD2 4.41Å; A254-L260 HydrophobicContact CB-CB 4.09Å; A254-L260 HydrophobicContact CB-CD1 4.26Å; A254-L260 PolarHBondContact O-N 3.41Å; I255-L260 HydrophobicContact CD1-CD2 4.19Å; I255-L260 HydrophobicContact CG1-CB 4.46Å; I255-L260 HydrophobicContact CG1-CD2 3.6Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-S262 PolarHBondContact O-N 3.39Å; L260-L263 WeakPolarHBondContact O-CB 3.4Å; L260-L263 PolarHBondContact O-N 3.19Å; L260-L263 VanDerWaalsContact O-N 3.09Å; L260-G264 PolarHBondContact O-N 3.49Å
261	E	92.2	Very high	92.9	Very high	123 Å²	123	49.9 Å²	49.9	58%	0.575	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-62.3	-35.5	178.3	-164.8	-160.5	138.4	0	0	112.1	L259 L263 G264 R265	L259-E261 VanDerWaalsContact C-N 3.3Å; L259-E261 PolarHBondContact O-N 3.11Å; E261-L263 PolarHBondContact O-N 2.86Å; E261-G264 PolarHBondContact O-N 2.73Å; E261-G264 VanDerWaalsContact O-N 3.09Å; E261-R265 IonicContact OE1-CZ 2.81Å; E261-R265 IonicContact OE1-NE 4Å; E261-R265 IonicContact OE1-NH2 2.91Å; E261-R265 PolarHBondContact OE1-NH2 2.67Å
262	S	91.7	Very high	93.1	Very high	31 Å²	31	45.9 Å²	45.9	22%	0.217	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.8	-29.9	177.8	77.7	0	0	0	0	112.3	L259 L260 G264 R265	L259-S262 WeakPolarHBondContact CD1-OG 3.46Å; L259-S262 WeakPolarHBondContact O-CB 3.27Å; L259-S262 PolarHBondContact O-N 3.38Å; L259-S262 PolarHBondContact O-OG 2.88Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-S262 PolarHBondContact O-N 3.39Å; S262-G264 VanDerWaalsContact C-N 3.28Å; S262-G264 PolarHBondContact O-N 2.85Å; S262-R265 PolarHBondContact O-N 2.91Å
263	L	94.2	Very high	93.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-78.9	-7.5	176.2	-63.9	177.4	0	0	0	113.3	I237 Q238 L241 L259 L260 E261 I305 N355	I237-L263 HydrophobicContact CB-CB 4.31Å; I237-L263 HydrophobicContact CG2-CB 4.05Å; I237-L263 HydrophobicContact CG2-CD1 4.22Å; I237-L263 HydrophobicContact CG2-CD2 4.3Å; I237-L263 HydrophobicContact CG2-CG 4.44Å; Q238-L263 HydrophobicContact CB-CB 4.46Å; Q238-L263 PolarHBondContact N-O 2.7Å; Q238-L263 VanDerWaalsContact N-O 3.15Å; L241-L263 HydrophobicContact CD1-CD1 3.71Å; L259-L263 PolarHBondContact O-N 3.32Å; L260-L263 WeakPolarHBondContact O-CB 3.4Å; L260-L263 PolarHBondContact O-N 3.19Å; L260-L263 VanDerWaalsContact O-N 3.09Å; E261-L263 PolarHBondContact O-N 2.86Å; L263-I305 HydrophobicContact CD1-CD1 4.49Å; L263-I305 HydrophobicContact CD2-CD1 3.83Å; L263-I305 HydrophobicContact CD2-CG1 4.32Å; L263-N355 PolarHBondContact O-ND2 3.28Å
264	G	94.3	Very high	93.5	Very high	27 Å²	27	43 Å²	43	28%	0.278	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-93	-15.2	170.8	0	0	0	0	0	113.8	L260 E261 S262	L260-G264 PolarHBondContact O-N 3.49Å; E261-G264 PolarHBondContact O-N 2.73Å; E261-G264 VanDerWaalsContact O-N 3.09Å; S262-G264 VanDerWaalsContact C-N 3.28Å; S262-G264 PolarHBondContact O-N 2.85Å
265	R	94.1	Very high	93.7	Very high	146 Å²	146	43.1 Å²	43.1	55%	0.551	23%	0.228	S	C	*	.	S	Bend	trans	-75.3	154.6	-178	-65.2	178.3	-175.4	174.1	2.2	111.6	E261 S262 G267 N355	E261-R265 IonicContact OE1-CZ 2.81Å; E261-R265 IonicContact OE1-NE 4Å; E261-R265 IonicContact OE1-NH2 2.91Å; E261-R265 PolarHBondContact OE1-NH2 2.67Å; S262-R265 PolarHBondContact O-N 2.91Å; R265-G267 PolarHBondContact O-N 2.87Å; R265-N355 WeakPolarHBondContact O-CB 3.29Å; R265-N355 PolarHBondContact O-ND2 3.04Å
266	D	91.7	Very high	94	Very high	124 Å²	124	40.2 Å²	40.2	66%	0.663	21%	0.213	S	C	*	.	S	Bend	trans	-59	136.9	174.4	-71.3	-28.6	0	0	0	110.4	K354	D266-K354 IonicContact OD1-NZ 3.69Å; D266-K354 PolarHBondContact OD1-NZ 2.92Å; D266-K354 IonicContact OD2-NZ 3.03Å
267	G	90.5	Very high	94.4	Very high	22 Å²	22	41 Å²	41	23%	0.227	21%	0.211	C	C	.	.	S	Bend	trans	174.7	-175.4	-172.8	0	0	0	0	0	112.2	R265 N355	R265-G267 PolarHBondContact O-N 2.87Å; G267-N355 CarbonylContact C-O 3.52Å; G267-N355 VanDerWaalsContact C-O 3.27Å; G267-N355 CarbonylContact O-C 3.55Å; G267-N355 VanDerWaalsContact O-C 3.3Å; G267-N355 VanDerWaalsContact O-CA 3.25Å; G267-N355 WeakPolarHBondContact O-CA 3.36Å
268	H	91.6	Very high	94.8	Very high	81 Å²	81	40.8 Å²	40.8	38%	0.375	21%	0.21	S	C	.	.			trans	-133.2	74	177.7	-60.3	77.8	0	0	0	109	N307 T308 L309	H268-N307 CarbonylContact O-C 3.54Å; H268-T308 CarbonylContact O-C 3.38Å; H268-T308 VanDerWaalsContact O-CA 3.24Å; H268-T308 WeakPolarHBondContact O-CA 3.42Å; H268-T308 PolarHBondContact O-N 2.75Å; H268-L309 HydrophobicContact CB-CB 4.3Å; H268-L309 PolarHBondContact O-N 3.47Å
269	F	96.1	Very high	95.1	Very high	28 Å²	28	35.9 Å²	35.9	12%	0.123	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	156.7	-174.3	-57.2	-71.1	0	0	0	112.3	I237 I305 L306 M324 N355 G356 V357	I237-F269 HydrophobicContact CD1-CB 3.71Å; I237-F269 HydrophobicContact CD1-CD2 4.46Å; F269-I305 HydrophobicContact CB-CG2 4.33Å; F269-I305 HydrophobicContact CD1-CG2 4.04Å; F269-I305 HydrophobicContact CG-CG2 4.49Å; F269-L306 WeakPolarHBondContact CA-O 3.41Å; F269-M324 HydrophobicContact CD1-SD 4.4Å; F269-M324 HydrophobicContact CE1-SD 4.28Å; F269-N355 WeakPolarHBondContact CD2-O 3.31Å; F269-N355 PolarHBondContact N-O 2.8Å; F269-G356 CarbonylContact O-C 3.5Å; F269-G356 WeakPolarHBondContact O-CA 3.46Å; F269-V357 PolarHBondContact O-N 2.92Å
270	T	97.8	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.9	156.2	-58.8	0	0	0	0	107.6	F272 I305 L306 T308 L309 Q310 V357	T270-F272 HydrophobicContact CG2-CD2 4.43Å; T270-F272 HydrophobicContact CG2-CE1 4.49Å; T270-F272 HydrophobicContact CG2-CE2 3.87Å; T270-F272 HydrophobicContact CG2-CZ 3.9Å; T270-I305 CarbonylContact O-C 3.36Å; T270-I305 WeakPolarHBondContact O-CA 3.42Å; T270-L306 HydrophobicContact CG2-CD1 4.4Å; T270-L306 PolarHBondContact N-O 3.32Å; T270-L306 PolarHBondContact O-N 3.15Å; T270-T308 WeakPolarHBondContact CB-O 3.09Å; T270-T308 PolarHBondContact N-O 3.17Å; T270-T308 PolarHBondContact OG1-O 2.71Å; T270-L309 WeakPolarHBondContact OG1-CA 3.4Å; T270-Q310 HydrophobicContact CG2-CB 4.47Å; T270-Q310 PolarHBondContact OG1-N 3.37Å; T270-V357 CarbonylContact C-O 3.04Å; T270-V357 WeakPolarHBondContact CA-O 3.49Å; T270-V357 HydrophobicContact CG2-CG1 3.98Å
271	L	98.4	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.2	173.1	173.6	64.8	0	0	0	109.3	I237 L241 F250 A273 H304 I305 V357 I358 H359	I237-L271 HydrophobicContact CD1-CB 4.27Å; I237-L271 HydrophobicContact CG2-CB 4.33Å; I237-L271 HydrophobicContact CG2-CD2 3.48Å; I237-L271 VanDerWaalsContact CG2-CD2 3.48Å; L241-L271 HydrophobicContact CD1-CD2 4.09Å; L241-L271 HydrophobicContact CD2-CD2 4.01Å; L241-L271 HydrophobicContact CG-CD2 4.34Å; F250-L271 HydrophobicContact CE1-CD1 3.99Å; F250-L271 HydrophobicContact CE1-CD2 4.1Å; F250-L271 HydrophobicContact CZ-CD1 3.68Å; L271-A273 HydrophobicContact CD2-CB 3.94Å; L271-A273 HydrophobicContact CG-CB 3.99Å; L271-H304 HydrophobicContact CD1-CB 4.24Å; L271-I305 HydrophobicContact CD1-CG1 3.74Å; L271-V357 PolarHBondContact N-O 3.03Å; L271-I358 HydrophobicContact CB-CG1 4.3Å; L271-I358 HydrophobicContact CB-CG2 4.48Å; L271-I358 HydrophobicContact CD2-CG1 4.41Å; L271-I358 HydrophobicContact CD2-CG2 4.29Å; L271-I358 HydrophobicContact CG-CG2 4.4Å; L271-I358 CarbonylContact O-C 3.54Å; L271-I358 WeakPolarHBondContact O-CA 3.3Å; L271-H359 PolarHBondContact O-N 2.91Å
272	F	98.4	Very high	95.4	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	95.1	163	-64.4	-75.9	0	0	0	108	T270 P274 H304 L306 I329 I331 I340 H359 I361 L365	T270-F272 HydrophobicContact CG2-CD2 4.43Å; T270-F272 HydrophobicContact CG2-CE1 4.49Å; T270-F272 HydrophobicContact CG2-CE2 3.87Å; T270-F272 HydrophobicContact CG2-CZ 3.9Å; F272-P274 WeakPolarHBondContact O-CD 3.42Å; F272-H304 PolarHBondContact N-O 3.39Å; F272-H304 WeakPolarHBondContact O-CB 3.08Å; F272-H304 PolarHBondContact O-CD2 2.93Å; F272-L306 HydrophobicContact CE2-CD1 4.01Å; F272-L306 HydrophobicContact CE2-CG 4.17Å; F272-I329 HydrophobicContact CD2-CD1 4.11Å; F272-I329 HydrophobicContact CE2-CD1 3.86Å; F272-I331 HydrophobicContact CE2-CD1 3.68Å; F272-I331 HydrophobicContact CZ-CD1 3.49Å; F272-I331 VanDerWaalsContact CZ-CD1 3.49Å; F272-I331 HydrophobicContact CZ-CG1 4.16Å; F272-I340 HydrophobicContact CB-CD1 4.34Å; F272-I340 HydrophobicContact CD1-CD1 3.34Å; F272-I340 HydrophobicContact CD1-CG1 4.42Å; F272-I340 HydrophobicContact CD2-CD1 4.47Å; F272-I340 HydrophobicContact CE1-CD1 3.65Å; F272-I340 HydrophobicContact CE1-CG1 4.28Å; F272-I340 HydrophobicContact CG-CD1 3.8Å; F272-I340 HydrophobicContact CZ-CD1 4.35Å; F272-H359 CarbonylContact C-O 3.55Å; F272-H359 VanDerWaalsContact CA-O 3.28Å; F272-H359 WeakPolarHBondContact CA-O 3.29Å; F272-H359 HydrophobicContact CD1-CB 3.84Å; F272-H359 HydrophobicContact CE1-CB 4.05Å; F272-H359 AromaticContact CE1-CD2 3.68Å; F272-I361 HydrophobicContact CB-CD1 4.03Å; F272-I361 HydrophobicContact CB-CG2 4.05Å; F272-I361 HydrophobicContact CD1-CG2 4.1Å; F272-L365 HydrophobicContact CB-CD1 4.4Å
273	A	98.1	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.8	-172	0	0	0	0	0	110.8	L247 L271 I358 H359 L360 I361	L247-A273 HydrophobicContact CD1-CB 4.01Å; L247-A273 HydrophobicContact CD2-CB 3.99Å; L271-A273 HydrophobicContact CD2-CB 3.94Å; L271-A273 HydrophobicContact CG-CB 3.99Å; A273-I358 HydrophobicContact CB-CG2 3.68Å; A273-H359 PolarHBondContact N-O 2.81Å; A273-L360 HydrophobicContact CB-CD2 3.85Å; A273-L360 WeakPolarHBondContact O-CA 3.27Å; A273-I361 PolarHBondContact O-N 3.4Å
274	P	98.1	Very high	95.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.8	175.6	27.7	-33.1	0	0	0	111.1	L247 F250 F272 A278 F279 I361 V364	L247-P274 WeakPolarHBondContact CD2-O 3.49Å; F250-P274 HydrophobicContact CB-CG 4.48Å; F250-P274 VanDerWaalsContact CD2-CD 3.44Å; F250-P274 HydrophobicContact CD2-CG 3.46Å; F250-P274 VanDerWaalsContact CD2-CG 3.46Å; F250-P274 HydrophobicContact CE2-CG 4.01Å; F250-P274 HydrophobicContact CG-CG 4.26Å; F272-P274 WeakPolarHBondContact O-CD 3.42Å; P274-A278 HydrophobicContact CB-CB 3.81Å; P274-F279 HydrophobicContact CB-CD2 4.44Å; P274-F279 HydrophobicContact CB-CE2 4Å; P274-F279 HydrophobicContact CG-CE2 3.63Å; P274-F279 HydrophobicContact CG-CZ 3.99Å; P274-I361 WeakPolarHBondContact CA-O 3.42Å; P274-I361 HydrophobicContact CB-CD1 4.26Å; P274-I361 HydrophobicContact CB-CG1 3.94Å; P274-V364 HydrophobicContact CB-CG2 3.93Å; P274-V364 HydrophobicContact CG-CG2 4.44Å
275	T	98.1	Very high	94.9	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	29%	0.285	C	S	.	.			trans	-70	166.6	176	60.9	0	0	0	0	111.7	D246 E277 A278 F279 L360 I361	D246-T275 CarbonylContact O-C 3.27Å; D246-T275 WeakPolarHBondContact O-CA 3.5Å; D246-T275 WeakPolarHBondContact OD2-CB 3.33Å; D246-T275 WeakPolarHBondContact OD2-CG2 3.16Å; T275-E277 PolarHBondContact O-N 3.4Å; T275-A278 VanDerWaalsContact O-CB 3.24Å; T275-A278 WeakPolarHBondContact O-CB 3.43Å; T275-A278 PolarHBondContact O-N 2.85Å; T275-A278 PolarHBondContact OG1-N 2.92Å; T275-F279 WeakPolarHBondContact O-CD2 3.46Å; T275-F279 PolarHBondContact O-N 3.19Å; T275-L360 HydrophobicContact CG2-CB 4.36Å; T275-I361 PolarHBondContact N-O 3.27Å; T275-I361 VanDerWaalsContact N-O 3.11Å
276	N	97.2	Very high	94.8	Very high	29 Å²	29	52.5 Å²	52.5	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-40	173.3	-64.3	-32.2	0	0	0	110.8	D245 D246 S248 S249 A278 F279 E280	D245-N276 PolarHBondContact O-ND2 2.79Å; D246-N276 WeakPolarHBondContact CA-ND2 3.3Å; D246-N276 PolarHBondContact O-N 2.84Å; D246-N276 PolarHBondContact O-ND2 3.11Å; D246-N276 PolarHBondContact O-OD1 3.49Å; S248-N276 PolarHBondContact N-OD1 2.87Å; S248-N276 PolarHBondContact OG-ND2 2.8Å; S248-N276 PolarHBondContact OG-OD1 2.82Å; S249-N276 PolarHBondContact N-OD1 3.48Å; S249-N276 PolarHBondContact OG-OD1 3.47Å; N276-A278 VanDerWaalsContact C-N 3.27Å; N276-A278 PolarHBondContact O-N 2.87Å; N276-F279 PolarHBondContact O-N 3.41Å; N276-F279 VanDerWaalsContact O-N 3.09Å; N276-E280 WeakPolarHBondContact O-CG 3.44Å; N276-E280 PolarHBondContact O-N 3.36Å
277	E	96.8	Very high	94.7	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-36.6	175.4	-164.4	-164.2	136.6	0	0	112.2	T275 F279 E280 K281	T275-E277 PolarHBondContact O-N 3.4Å; E277-F279 VanDerWaalsContact C-N 3.32Å; E277-F279 PolarHBondContact O-N 3.44Å; E277-E280 PolarHBondContact O-N 3.36Å; E277-K281 WeakPolarHBondContact O-CG 3.5Å; E277-K281 PolarHBondContact O-N 2.91Å; E277-K281 VanDerWaalsContact O-N 3.17Å; E277-K281 WeakPolarHBondContact OE1-CE 3.3Å; E277-K281 IonicContact OE1-NZ 3.91Å; E277-K281 PolarHBondContact OE1-NZ 2.84Å
278	A	97	Very high	94.8	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-39.7	176.1	0	0	0	0	0	112	P274 T275 N276 K281 D362 V364	P274-A278 HydrophobicContact CB-CB 3.81Å; T275-A278 VanDerWaalsContact O-CB 3.24Å; T275-A278 WeakPolarHBondContact O-CB 3.43Å; T275-A278 PolarHBondContact O-N 2.85Å; T275-A278 PolarHBondContact OG1-N 2.92Å; N276-A278 VanDerWaalsContact C-N 3.27Å; N276-A278 PolarHBondContact O-N 2.87Å; A278-K281 PolarHBondContact O-N 2.82Å; A278-D362 WeakPolarHBondContact CA-O 3.35Å; A278-D362 WeakPolarHBondContact CB-O 3.4Å; A278-V364 HydrophobicContact CB-CG2 4.06Å
279	F	95.6	Very high	94.8	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-35.7	175.3	-78	-85.3	0	0	0	112.5	F250 P274 T275 N276 E277 K281 L282 L287 V364	F250-F279 HydrophobicContact CB-CE2 3.89Å; F250-F279 HydrophobicContact CB-CZ 4.32Å; F250-F279 HydrophobicContact CD2-CE2 4.31Å; F250-F279 HydrophobicContact CD2-CZ 4.16Å; P274-F279 HydrophobicContact CB-CD2 4.44Å; P274-F279 HydrophobicContact CB-CE2 4Å; P274-F279 HydrophobicContact CG-CE2 3.63Å; P274-F279 HydrophobicContact CG-CZ 3.99Å; T275-F279 WeakPolarHBondContact O-CD2 3.46Å; T275-F279 PolarHBondContact O-N 3.19Å; N276-F279 PolarHBondContact O-N 3.41Å; N276-F279 VanDerWaalsContact O-N 3.09Å; E277-F279 VanDerWaalsContact C-N 3.32Å; E277-F279 PolarHBondContact O-N 3.44Å; F279-K281 PolarHBondContact O-N 2.81Å; F279-L282 HydrophobicContact CD1-CD1 4.05Å; F279-L282 VanDerWaalsContact O-CB 3.3Å; F279-L282 WeakPolarHBondContact O-CB 3.4Å; F279-L282 WeakPolarHBondContact O-CG 3.27Å; F279-L282 PolarHBondContact O-N 2.92Å; F279-L282 VanDerWaalsContact O-N 3.13Å; F279-L287 HydrophobicContact CB-CD2 4.45Å; F279-L287 HydrophobicContact CD1-CD1 3.64Å; F279-L287 HydrophobicContact CD1-CD2 3.89Å; F279-L287 HydrophobicContact CD1-CG 4.41Å; F279-L287 HydrophobicContact CE1-CD1 3.79Å; F279-V364 HydrophobicContact CD1-CG2 3.98Å; F279-V364 HydrophobicContact CD2-CG2 4.18Å; F279-V364 HydrophobicContact CE1-CG2 4.14Å; F279-V364 HydrophobicContact CE2-CG2 4.34Å; F279-V364 HydrophobicContact CG-CG2 4Å; F279-V364 HydrophobicContact CZ-CG2 4.32Å
280	E	94.6	Very high	94.7	Very high	159 Å²	159	52.8 Å²	52.8	74%	0.743	26%	0.255	S	S	*	.	H	α-helix	trans	-64.8	-27.4	176.8	-70.8	179.1	179.6	0	0	113	N276 E277 L282	N276-E280 WeakPolarHBondContact O-CG 3.44Å; N276-E280 PolarHBondContact O-N 3.36Å; E277-E280 PolarHBondContact O-N 3.36Å; E280-L282 PolarHBondContact O-N 2.77Å
281	K	95.8	Very high	94.4	Very high	108 Å²	108	54.8 Å²	54.8	47%	0.47	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.1	174.7	-71.8	167.9	-172.6	161	0	113.5	E277 A278 F279 D362	E277-K281 WeakPolarHBondContact O-CG 3.5Å; E277-K281 PolarHBondContact O-N 2.91Å; E277-K281 VanDerWaalsContact O-N 3.17Å; E277-K281 WeakPolarHBondContact OE1-CE 3.3Å; E277-K281 IonicContact OE1-NZ 3.91Å; E277-K281 PolarHBondContact OE1-NZ 2.84Å; A278-K281 PolarHBondContact O-N 2.82Å; F279-K281 PolarHBondContact O-N 2.81Å; K281-D362 WeakPolarHBondContact CD-O 3.15Å; K281-D362 PolarHBondContact NZ-O 3.34Å
282	L	93.8	Very high	94.1	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.157	30%	0.3	C	S	.	.	S	Bend	trans	-67.9	141.9	179.6	-66.8	176.9	0	0	0	111.4	F279 E280 L287 V364 I366	F279-L282 HydrophobicContact CD1-CD1 4.05Å; F279-L282 VanDerWaalsContact O-CB 3.3Å; F279-L282 WeakPolarHBondContact O-CB 3.4Å; F279-L282 WeakPolarHBondContact O-CG 3.27Å; F279-L282 PolarHBondContact O-N 2.92Å; F279-L282 VanDerWaalsContact O-N 3.13Å; E280-L282 PolarHBondContact O-N 2.77Å; L282-L287 HydrophobicContact CD1-CB 4.07Å; L282-L287 HydrophobicContact CD1-CD1 4.14Å; L282-V364 HydrophobicContact CD1-CB 4.4Å; L282-V364 HydrophobicContact CD1-CG2 4.15Å; L282-V364 HydrophobicContact CD2-CB 4.16Å; L282-V364 HydrophobicContact CG-CG2 4.35Å; L282-I366 HydrophobicContact CD2-CD1 3.68Å; L282-I366 HydrophobicContact CD2-CG1 4.46Å
283	P	92.4	Very high	93.8	Very high	88 Å²	88	60.2 Å²	60.2	57%	0.571	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-58.1	146.2	173.6	-22.2	32.3	0	0	0	112	G285 V286	P283-G285 PolarHBondContact O-N 3.1Å; P283-V286 HydrophobicContact CB-CG2 3.86Å; P283-V286 HydrophobicContact CG-CG2 4.21Å; P283-V286 WeakPolarHBondContact O-CB 3.42Å; P283-V286 PolarHBondContact O-N 2.92Å; P283-V286 VanDerWaalsContact O-N 3.12Å
284	R	88.7	Confident	93.6	Very high	256 Å²	256	65.7 Å²	65.7	97%	0.966	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	133.4	179.6	-69.6	-175.3	179.3	173.4	0.1	111	V286	R284-V286 VanDerWaalsContact C-N 3.27Å; R284-V286 PolarHBondContact O-N 3.23Å
285	G	87.6	Confident	93.3	Very high	42 Å²	42	69.3 Å²	69.3	43%	0.433	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-16.3	179	0	0	0	0	0	115.4	P283 R289	P283-G285 PolarHBondContact O-N 3.1Å; G285-R289 WeakPolarHBondContact O-CB 3.34Å; G285-R289 PolarHBondContact O-N 2.66Å
286	V	91.8	Very high	93.2	Very high	19 Å²	19	69.3 Å²	69.3	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-48.5	177.6	173.2	0	0	0	0	110.8	P283 R284 R289 I290 I366	P283-V286 HydrophobicContact CB-CG2 3.86Å; P283-V286 HydrophobicContact CG-CG2 4.21Å; P283-V286 WeakPolarHBondContact O-CB 3.42Å; P283-V286 PolarHBondContact O-N 2.92Å; P283-V286 VanDerWaalsContact O-N 3.12Å; R284-V286 VanDerWaalsContact C-N 3.27Å; R284-V286 PolarHBondContact O-N 3.23Å; V286-R289 PolarHBondContact O-N 3.48Å; V286-I290 HydrophobicContact CG1-CD1 3.8Å; V286-I290 WeakPolarHBondContact O-CG1 3.23Å; V286-I290 PolarHBondContact O-N 2.82Å; V286-I366 HydrophobicContact CG1-CD1 4.29Å
287	L	90.6	Very high	93.1	Very high	53 Å²	53	67.9 Å²	67.9	28%	0.277	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-47.9	179.2	-178.5	59.2	0	0	0	111.6	F279 L282 R289 I290 M291	F279-L287 HydrophobicContact CB-CD2 4.45Å; F279-L287 HydrophobicContact CD1-CD1 3.64Å; F279-L287 HydrophobicContact CD1-CD2 3.89Å; F279-L287 HydrophobicContact CD1-CG 4.41Å; F279-L287 HydrophobicContact CE1-CD1 3.79Å; L282-L287 HydrophobicContact CD1-CB 4.07Å; L282-L287 HydrophobicContact CD1-CD1 4.14Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.24Å; L287-I290 PolarHBondContact O-N 2.95Å; L287-M291 HydrophobicContact CD1-CE 3.92Å; L287-M291 HydrophobicContact CD1-CG 3.8Å; L287-M291 HydrophobicContact CG-CG 4.24Å; L287-M291 WeakPolarHBondContact O-CB 3.37Å; L287-M291 VanDerWaalsContact O-CG 3.28Å; L287-M291 WeakPolarHBondContact O-CG 3.33Å; L287-M291 PolarHBondContact O-N 3.12Å
288	E	91.5	Very high	93	Very high	157 Å²	157	66.3 Å²	66.3	73%	0.734	34%	0.342	S	S	*	.	H	α-helix	trans	-58.6	-43.7	177.9	-174.5	179.3	-174.7	0	0	111.4	M291 G292	E288-M291 PolarHBondContact O-N 3.36Å; E288-G292 PolarHBondContact O-N 3.34Å
289	R	93.1	Very high	93	Very high	51 Å²	51	66.9 Å²	66.9	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-46.3	175.7	178.6	-178.2	61.8	75.9	-7.5	112.3	G285 V286 L287 D293 A370 Q372 E375	G285-R289 WeakPolarHBondContact O-CB 3.34Å; G285-R289 PolarHBondContact O-N 2.66Å; V286-R289 PolarHBondContact O-N 3.48Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.24Å; R289-D293 PolarHBondContact O-N 2.96Å; R289-A370 PolarHBondContact NH1-O 2.94Å; R289-Q372 VanDerWaalsContact CZ-CG 3.4Å; R289-E375 IonicContact CZ-OE1 2.92Å; R289-E375 IonicContact CZ-OE2 3.56Å; R289-E375 IonicContact NE-OE1 3.88Å; R289-E375 IonicContact NH2-OE1 3.39Å; R289-E375 PolarHBondContact NH2-OE1 3.32Å; R289-E375 IonicContact NH2-OE2 3.79Å; R289-E375 PolarHBondContact NH2-OE2 2.91Å
290	I	94.1	Very high	93	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-43.7	-178.9	-66.4	171	0	0	0	110.2	V286 L287 G292 D293 A296 S297 L300 I366 A370	V286-I290 HydrophobicContact CG1-CD1 3.8Å; V286-I290 WeakPolarHBondContact O-CG1 3.23Å; V286-I290 PolarHBondContact O-N 2.82Å; L287-I290 PolarHBondContact O-N 2.95Å; I290-G292 VanDerWaalsContact C-N 3.31Å; I290-G292 PolarHBondContact O-N 3.27Å; I290-D293 CarbonylContact O-C 3.53Å; I290-D293 PolarHBondContact O-N 2.92Å; I290-A296 HydrophobicContact CG2-CB 3.98Å; I290-S297 PolarHBondContact O-N 3.45Å; I290-L300 HydrophobicContact CG2-CB 4.16Å; I290-L300 HydrophobicContact CG2-CD2 4.04Å; I290-I366 HydrophobicContact CD1-CD1 4.49Å; I290-I366 HydrophobicContact CD1-CG2 4.1Å; I290-A370 HydrophobicContact CD1-CB 4.48Å
291	M	91.4	Very high	93.1	Very high	41 Å²	41	58.9 Å²	58.9	20%	0.202	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-27.3	179.7	-66	-60.8	126.9	0	0	113.1	A253 L287 E288 D293 L300	A253-M291 HydrophobicContact CB-CE 3.85Å; A253-M291 HydrophobicContact CB-SD 3.57Å; A253-M291 VanDerWaalsContact CB-SD 3.57Å; L287-M291 HydrophobicContact CD1-CE 3.92Å; L287-M291 HydrophobicContact CD1-CG 3.8Å; L287-M291 HydrophobicContact CG-CG 4.24Å; L287-M291 WeakPolarHBondContact O-CB 3.37Å; L287-M291 VanDerWaalsContact O-CG 3.28Å; L287-M291 WeakPolarHBondContact O-CG 3.33Å; L287-M291 PolarHBondContact O-N 3.12Å; E288-M291 PolarHBondContact O-N 3.36Å; M291-D293 VanDerWaalsContact C-N 3.25Å; M291-D293 PolarHBondContact O-N 3.36Å; M291-L300 HydrophobicContact CE-CD2 3.45Å; M291-L300 VanDerWaalsContact CE-CD2 3.45Å
292	G	91.7	Very high	93.2	Very high	71 Å²	71	56.3 Å²	56.3	73%	0.732	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-13.7	173	0	0	0	0	0	114.3	E288 I290	E288-G292 PolarHBondContact O-N 3.34Å; I290-G292 VanDerWaalsContact C-N 3.31Å; I290-G292 PolarHBondContact O-N 3.27Å
293	D	92.6	Very high	93.4	Very high	46 Å²	46	56 Å²	56	25%	0.246	30%	0.295	C	S	.	.	S	Bend	trans	-115.5	105.6	177.7	-177.4	-19.9	0	0	0	110.3	R289 I290 M291 V295 A296 S297 R481	R289-D293 PolarHBondContact O-N 2.96Å; I290-D293 CarbonylContact O-C 3.53Å; I290-D293 PolarHBondContact O-N 2.92Å; M291-D293 VanDerWaalsContact C-N 3.25Å; M291-D293 PolarHBondContact O-N 3.36Å; D293-V295 PolarHBondContact O-N 3.04Å; D293-V295 VanDerWaalsContact O-N 3.07Å; D293-V295 PolarHBondContact OD1-N 2.99Å; D293-A296 HydrophobicContact CB-CB 3.92Å; D293-A296 PolarHBondContact O-N 3.24Å; D293-A296 PolarHBondContact OD1-N 3.16Å; D293-S297 PolarHBondContact O-N 3.39Å; D293-R481 IonicContact OD1-CZ 3.91Å; D293-R481 IonicContact OD1-NE 3.55Å; D293-R481 IonicContact OD1-NH2 3.61Å; D293-R481 PolarHBondContact OD1-NH2 2.83Å; D293-R481 IonicContact OD2-CZ 3.25Å; D293-R481 IonicContact OD2-NE 2.75Å; D293-R481 PolarHBondContact OD2-NE 2.83Å; D293-R481 IonicContact OD2-NH2 3.57Å; D293-R481 PolarHBondContact OD2-NH2 2.57Å
294	K	92.1	Very high	93.7	Very high	115 Å²	115	51.9 Å²	51.9	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-52.4	-35.8	-177.6	-175.9	168.8	-174.7	160.8	0	113.2	D258 S297 E298	D258-K294 IonicContact OD2-NZ 3.85Å; D258-K294 PolarHBondContact OD2-NZ 3.31Å; K294-S297 PolarHBondContact O-OG 3.03Å; K294-E298 VanDerWaalsContact O-CB 3.22Å; K294-E298 WeakPolarHBondContact O-CB 2.89Å; K294-E298 PolarHBondContact O-N 3.11Å
295	V	93.6	Very high	94.1	Very high	77 Å²	77	39.7 Å²	39.7	47%	0.467	22%	0.222	S	C	.	.	H	α-helix	trans	-72.6	-40.1	-179.5	-176.7	0	0	0	0	110.5	D293 A299 R481	D293-V295 PolarHBondContact O-N 3.04Å; D293-V295 VanDerWaalsContact O-N 3.07Å; D293-V295 PolarHBondContact OD1-N 2.99Å; V295-A299 VanDerWaalsContact O-CB 3.3Å; V295-A299 WeakPolarHBondContact O-CB 3.2Å; V295-A299 PolarHBondContact O-N 3.43Å; V295-A299 VanDerWaalsContact O-N 3.08Å; V295-R481 VanDerWaalsContact CG1-NH1 3.34Å
296	A	95.1	Very high	94.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.8	-41	177.7	0	0	0	0	0	111.7	I290 D293 L300 A370	I290-A296 HydrophobicContact CG2-CB 3.98Å; D293-A296 HydrophobicContact CB-CB 3.92Å; D293-A296 PolarHBondContact O-N 3.24Å; D293-A296 PolarHBondContact OD1-N 3.16Å; A296-L300 WeakPolarHBondContact O-CB 3.31Å; A296-L300 PolarHBondContact O-N 3.21Å; A296-A370 HydrophobicContact CB-CB 4.13Å
297	S	95.1	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-42.3	178.3	74.9	0	0	0	0	112	S257 I290 D293 K294 L300 L301	S257-S297 WeakPolarHBondContact OG-CB 3.48Å; S257-S297 PolarHBondContact OG-OG 2.9Å; I290-S297 PolarHBondContact O-N 3.45Å; D293-S297 PolarHBondContact O-N 3.39Å; K294-S297 PolarHBondContact O-OG 3.03Å; S297-L300 WeakPolarHBondContact O-CB 3.35Å; S297-L300 PolarHBondContact O-N 3.29Å; S297-L301 WeakPolarHBondContact O-CG 3.33Å; S297-L301 PolarHBondContact O-N 3.2Å; S297-L301 VanDerWaalsContact O-N 3.13Å
298	E	95.1	Very high	94.8	Very high	66 Å²	66	42.2 Å²	42.2	31%	0.308	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-45.7	175.8	-173.5	-176.6	163.5	0	0	111.3	K294 L300 L301 K302	K294-E298 VanDerWaalsContact O-CB 3.22Å; K294-E298 WeakPolarHBondContact O-CB 2.89Å; K294-E298 PolarHBondContact O-N 3.11Å; E298-L300 PolarHBondContact O-N 3.34Å; E298-L301 PolarHBondContact O-N 3.21Å; E298-K302 HydrophobicContact CG-CD 4.08Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 WeakPolarHBondContact O-CG 3.36Å; E298-K302 PolarHBondContact O-N 3.31Å; E298-K302 VanDerWaalsContact OE1-CE 3.28Å; E298-K302 WeakPolarHBondContact OE1-CE 3.3Å; E298-K302 IonicContact OE1-NZ 2.75Å; E298-K302 PolarHBondContact OE1-NZ 3.26Å
299	A	96.5	Very high	95	Very high	13 Å²	13	34.9 Å²	34.9	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-45.1	175.5	0	0	0	0	0	111.6	V295 L301 K302 Y303 E325 P367	V295-A299 VanDerWaalsContact O-CB 3.3Å; V295-A299 WeakPolarHBondContact O-CB 3.2Å; V295-A299 PolarHBondContact O-N 3.43Å; V295-A299 VanDerWaalsContact O-N 3.08Å; A299-L301 VanDerWaalsContact C-N 3.35Å; A299-L301 PolarHBondContact O-N 3.31Å; A299-K302 PolarHBondContact O-N 3.49Å; A299-Y303 WeakPolarHBondContact O-CB 3.38Å; A299-Y303 PolarHBondContact O-N 3.25Å; A299-E325 HydrophobicContact CB-CG 3.91Å; A299-E325 WeakPolarHBondContact O-CG 3.28Å; A299-P367 HydrophobicContact CB-CG 4.24Å
300	L	96.7	Very high	95.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-53.6	-51.3	177.5	-179.3	74	0	0	0	111.5	I290 M291 A296 S297 E298 Y303 H304 V364 L365 I366	I290-L300 HydrophobicContact CG2-CB 4.16Å; I290-L300 HydrophobicContact CG2-CD2 4.04Å; M291-L300 HydrophobicContact CE-CD2 3.45Å; M291-L300 VanDerWaalsContact CE-CD2 3.45Å; A296-L300 WeakPolarHBondContact O-CB 3.31Å; A296-L300 PolarHBondContact O-N 3.21Å; S297-L300 WeakPolarHBondContact O-CB 3.35Å; S297-L300 PolarHBondContact O-N 3.29Å; E298-L300 PolarHBondContact O-N 3.34Å; L300-Y303 WeakPolarHBondContact O-CB 3.41Å; L300-Y303 PolarHBondContact O-N 3.32Å; L300-H304 PolarHBondContact O-CE1 2.95Å; L300-H304 PolarHBondContact O-ND1 2.92Å; L300-V364 HydrophobicContact CD1-CG1 3.82Å; L300-V364 HydrophobicContact CD2-CG1 4.41Å; L300-V364 HydrophobicContact CG-CG1 4.48Å; L300-L365 WeakPolarHBondContact CD1-O 3.16Å; L300-I366 HydrophobicContact CD1-CB 4.29Å; L300-I366 HydrophobicContact CD1-CG1 4.06Å; L300-I366 HydrophobicContact CD1-CG2 4.35Å
301	L	96.5	Very high	95.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-42.3	-176.2	-65	176.4	0	0	0	112.5	F250 A253 A254 S257 L259 S297 E298 A299 Y303 H304	F250-L301 HydrophobicContact CD2-CD2 3.82Å; F250-L301 HydrophobicContact CE2-CD2 3.36Å; F250-L301 HydrophobicContact CZ-CD2 3.8Å; A253-L301 HydrophobicContact CB-CD2 4Å; A253-L301 WeakPolarHBondContact O-CD1 3.37Å; A254-L301 VanDerWaalsContact CA-CD1 3.46Å; A254-L301 HydrophobicContact CB-CD1 4.17Å; S257-L301 WeakPolarHBondContact OG-CD1 3.45Å; L259-L301 HydrophobicContact CB-CD1 4.19Å; L259-L301 HydrophobicContact CD2-CB 3.44Å; L259-L301 VanDerWaalsContact CD2-CB 3.44Å; L259-L301 HydrophobicContact CD2-CD1 4.06Å; L259-L301 HydrophobicContact CD2-CG 4.45Å; S297-L301 WeakPolarHBondContact O-CG 3.33Å; S297-L301 PolarHBondContact O-N 3.2Å; S297-L301 VanDerWaalsContact O-N 3.13Å; E298-L301 PolarHBondContact O-N 3.21Å; A299-L301 VanDerWaalsContact C-N 3.35Å; A299-L301 PolarHBondContact O-N 3.31Å; L301-Y303 PolarHBondContact O-N 3.05Å; L301-H304 WeakPolarHBondContact O-CB 3.07Å; L301-H304 PolarHBondContact O-N 3.25Å
302	K	97.4	Very high	95.3	Very high	54 Å²	54	31.8 Å²	31.8	24%	0.235	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-29.3	176.5	-77.1	-179	171.3	175.8	0	112.3	L259 E298 A299 H304 I305 M324 E325	L259-K302 HydrophobicContact CD1-CG 4.3Å; L259-K302 HydrophobicContact CD2-CG 4.33Å; E298-K302 HydrophobicContact CG-CD 4.08Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 WeakPolarHBondContact O-CG 3.36Å; E298-K302 PolarHBondContact O-N 3.31Å; E298-K302 VanDerWaalsContact OE1-CE 3.28Å; E298-K302 WeakPolarHBondContact OE1-CE 3.3Å; E298-K302 IonicContact OE1-NZ 2.75Å; E298-K302 PolarHBondContact OE1-NZ 3.26Å; A299-K302 PolarHBondContact O-N 3.49Å; K302-H304 PolarHBondContact O-N 3.02Å; K302-I305 PolarHBondContact O-N 3.24Å; K302-M324 HydrophobicContact CB-CB 3.94Å; K302-M324 HydrophobicContact CG-CB 4.16Å; K302-M324 PolarHBondContact O-N 3.45Å; K302-E325 HydrophobicContact CB-CB 3.81Å; K302-E325 PolarHBondContact O-N 2.83Å
303	Y	98.2	Very high	95.3	Very high	24 Å²	24	29 Å²	29	9%	0.094	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.7	176.8	-162.9	-121	0	0	0	113.4	A299 L300 L301 T323 E325 N327 T328 I329 L365 P367	A299-Y303 WeakPolarHBondContact O-CB 3.38Å; A299-Y303 PolarHBondContact O-N 3.25Å; L300-Y303 WeakPolarHBondContact O-CB 3.41Å; L300-Y303 PolarHBondContact O-N 3.32Å; L301-Y303 PolarHBondContact O-N 3.05Å; Y303-T323 HydrophobicContact CD2-CG2 3.81Å; Y303-T323 WeakPolarHBondContact CD2-OG1 3.32Å; Y303-T323 HydrophobicContact CE2-CG2 3.99Å; Y303-T323 HydrophobicContact CG-CG2 4.5Å; Y303-T323 VanDerWaalsContact O-CG2 3.3Å; Y303-T323 WeakPolarHBondContact O-CG2 3.35Å; Y303-E325 HydrophobicContact CD2-CB 4.21Å; Y303-N327 HydrophobicContact CD2-CB 4.25Å; Y303-N327 HydrophobicContact CE2-CB 3.66Å; Y303-T328 PolarHBondContact OH-O 3.45Å; Y303-I329 HydrophobicContact CE1-CG2 4.01Å; Y303-I329 HydrophobicContact CE2-CG2 3.86Å; Y303-I329 VanDerWaalsContact CZ-CG2 3.48Å; Y303-I329 WeakPolarHBondContact OH-CG2 3.23Å; Y303-L365 HydrophobicContact CD1-CB 3.66Å; Y303-L365 WeakPolarHBondContact CD1-O 2.97Å; Y303-L365 HydrophobicContact CE1-CB 3.96Å; Y303-P367 HydrophobicContact CD1-CB 3.91Å; Y303-P367 HydrophobicContact CD1-CG 4.33Å; Y303-P367 HydrophobicContact CD2-CB 3.85Å; Y303-P367 HydrophobicContact CE1-CB 4.32Å; Y303-P367 HydrophobicContact CE2-CB 4.32Å; Y303-P367 HydrophobicContact CG-CB 3.66Å; Y303-P367 HydrophobicContact CG-CG 4.08Å
304	H	98.3	Very high	95.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.7	175.2	-68.9	81.7	0	0	0	113.5	F250 L271 F272 L300 L301 K302 L365	F250-H304 HydrophobicContact CE2-CB 4.4Å; L271-H304 HydrophobicContact CD1-CB 4.24Å; F272-H304 PolarHBondContact N-O 3.39Å; F272-H304 WeakPolarHBondContact O-CB 3.08Å; F272-H304 PolarHBondContact O-CD2 2.93Å; L300-H304 PolarHBondContact O-CE1 2.95Å; L300-H304 PolarHBondContact O-ND1 2.92Å; L301-H304 WeakPolarHBondContact O-CB 3.07Å; L301-H304 PolarHBondContact O-N 3.25Å; K302-H304 PolarHBondContact O-N 3.02Å; H304-L365 PolarHBondContact CE1-N 3.02Å; H304-L365 PolarHBondContact CE1-O 3.25Å; H304-L365 WeakPolarHBondContact NE2-CB 3.5Å; H304-L365 PolarHBondContact NE2-N 3.31Å
305	I	97.9	Very high	95.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.6	-171.5	-53.2	156.2	0	0	0	110.4	L259 L263 F269 T270 L271 K302 T323 M324	L259-I305 HydrophobicContact CD2-CD1 3.54Å; L259-I305 HydrophobicContact CG-CD1 4.39Å; L263-I305 HydrophobicContact CD1-CD1 4.49Å; L263-I305 HydrophobicContact CD2-CD1 3.83Å; L263-I305 HydrophobicContact CD2-CG1 4.32Å; F269-I305 HydrophobicContact CB-CG2 4.33Å; F269-I305 HydrophobicContact CD1-CG2 4.04Å; F269-I305 HydrophobicContact CG-CG2 4.49Å; T270-I305 CarbonylContact O-C 3.36Å; T270-I305 WeakPolarHBondContact O-CA 3.42Å; L271-I305 HydrophobicContact CD1-CG1 3.74Å; K302-I305 PolarHBondContact O-N 3.24Å; I305-T323 CarbonylContact O-C 3.48Å; I305-T323 WeakPolarHBondContact O-CA 3.28Å; I305-M324 HydrophobicContact CB-CB 4.43Å; I305-M324 HydrophobicContact CB-CG 4.04Å; I305-M324 HydrophobicContact CB-SD 3.73Å; I305-M324 HydrophobicContact CD1-SD 4.23Å; I305-M324 HydrophobicContact CG2-CG 3.97Å; I305-M324 HydrophobicContact CG2-SD 3.31Å; I305-M324 WeakPolarHBondContact CG2-SD 3.43Å; I305-M324 PolarHBondContact O-N 3.21Å
306	L	97.6	Very high	95	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.7	167.4	-51.2	-178.7	0	0	0	110.6	F269 T270 F272 T308 Q310 F321 E322 T323 I329 I331	F269-L306 WeakPolarHBondContact CA-O 3.41Å; T270-L306 HydrophobicContact CG2-CD1 4.4Å; T270-L306 PolarHBondContact N-O 3.32Å; T270-L306 PolarHBondContact O-N 3.15Å; F272-L306 HydrophobicContact CE2-CD1 4.01Å; F272-L306 HydrophobicContact CE2-CG 4.17Å; L306-T308 PolarHBondContact O-N 3.17Å; L306-Q310 HydrophobicContact CD1-CG 4.02Å; L306-F321 HydrophobicContact CD1-CB 4Å; L306-F321 HydrophobicContact CD1-CD1 4.33Å; L306-F321 HydrophobicContact CD1-CG 4.2Å; L306-F321 HydrophobicContact CD2-CB 3.99Å; L306-E322 WeakPolarHBondContact CD2-O 3.34Å; L306-T323 HydrophobicContact CD2-CG2 4.04Å; L306-I329 HydrophobicContact CD2-CD1 4.08Å; L306-I329 HydrophobicContact CD2-CG1 4.33Å; L306-I331 HydrophobicContact CD1-CD1 3.71Å
307	N	94.2	Very high	94.6	Very high	102 Å²	102	20.7 Å²	20.7	55%	0.545	12%	0.116	S	C	.	.	S	Bend	trans	-81.4	17.1	172.6	-78.7	-23.4	0	0	0	113.9	H268 M324	H268-N307 CarbonylContact O-C 3.54Å; N307-M324 WeakPolarHBondContact OD1-CG 3.4Å; N307-M324 PolarHBondContact OD1-SD 2.86Å
308	T	92.4	Very high	94.4	Very high	63 Å²	63	23 Å²	23	39%	0.387	14%	0.139	S	C	.	.	S	Bend	trans	-138.9	149	176	58.9	0	0	0	0	109.9	H268 T270 L306 Q310	H268-T308 CarbonylContact O-C 3.38Å; H268-T308 VanDerWaalsContact O-CA 3.24Å; H268-T308 WeakPolarHBondContact O-CA 3.42Å; H268-T308 PolarHBondContact O-N 2.75Å; T270-T308 WeakPolarHBondContact CB-O 3.09Å; T270-T308 PolarHBondContact N-O 3.17Å; T270-T308 PolarHBondContact OG1-O 2.71Å; L306-T308 PolarHBondContact O-N 3.17Å; T308-Q310 PolarHBondContact OG1-NE2 3.4Å
309	L	94.8	Very high	94.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	14%	0.14	C	C	.	.			trans	-86.6	113.2	179.9	-168.5	166.1	0	0	0	110.6	N197 Y199 H268 T270 C311 V357	N197-L309 WeakPolarHBondContact ND2-CD2 3.06Å; Y199-L309 WeakPolarHBondContact CE1-O 3.38Å; Y199-L309 PolarHBondContact OH-O 2.87Å; H268-L309 HydrophobicContact CB-CB 4.3Å; H268-L309 PolarHBondContact O-N 3.47Å; T270-L309 WeakPolarHBondContact OG1-CA 3.4Å; L309-C311 WeakPolarHBondContact CD2-SG 3.21Å; L309-V357 HydrophobicContact CD2-CB 4.35Å; L309-V357 HydrophobicContact CD2-CG1 4.03Å; L309-V357 HydrophobicContact CG-CB 4.28Å; L309-V357 HydrophobicContact CG-CG1 3.95Å
310	Q	95.6	Very high	94.1	Very high	23 Å²	23	25.7 Å²	25.7	11%	0.107	16%	0.163	C	C	.	.			trans	-116.1	95.8	-177.9	-56.1	-56.1	-31.8	0	0	110	T270 L306 T308 F321 H359	T270-Q310 HydrophobicContact CG2-CB 4.47Å; T270-Q310 PolarHBondContact OG1-N 3.37Å; L306-Q310 HydrophobicContact CD1-CG 4.02Å; T308-Q310 PolarHBondContact OG1-NE2 3.4Å; Q310-F321 VanDerWaalsContact CD-CE1 3.5Å; Q310-F321 HydrophobicContact CG-CD1 4.32Å; Q310-F321 HydrophobicContact CG-CE1 3.92Å; Q310-F321 HydrophobicContact CG-CZ 4.35Å; Q310-H359 PolarHBondContact O-NE2 2.94Å
311	C	96	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.17	C	C	.	.			trans	-69.3	147.9	170.2	-60	0	0	0	0	110.4	Y199 T205 C208 L309 E313 A314	Y199-C311 PolarHBondContact OH-N 3.18Å; Y199-C311 VanDerWaalsContact OH-N 3.07Å; Y199-C311 PolarHBondContact OH-SG 3.33Å; T205-C311 HydrophobicContact CG2-CB 4.31Å; C208-C311 WeakPolarHBondContact CA-SG 3.36Å; C208-C311 HydrophobicContact CB-CB 3.58Å; C208-C311 WeakPolarHBondContact CB-SG 3.48Å; C208-C311 WeakPolarHBondContact SG-CB 3.31Å; C208-C311 CovalentContact SG-SG 2.04Å; C208-C311 PolarHBondContact SG-SG 2.9Å; L309-C311 WeakPolarHBondContact CD2-SG 3.21Å; C311-E313 VanDerWaalsContact C-N 3.3Å; C311-E313 PolarHBondContact O-N 3.04Å; C311-A314 VanDerWaalsContact O-CB 3.25Å; C311-A314 WeakPolarHBondContact O-CB 3.3Å; C311-A314 PolarHBondContact O-N 3.29Å
312	S	94.4	Very high	94.1	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-60.6	-39.3	-175.6	79.5	0	0	0	0	112.6	A314 I315 K349 D350	S312-A314 PolarHBondContact O-N 2.83Å; S312-I315 WeakPolarHBondContact O-CB 3.42Å; S312-I315 PolarHBondContact O-N 3.29Å; S312-K349 WeakPolarHBondContact OG-CD 3.41Å; S312-D350 WeakPolarHBondContact CB-OD1 3.48Å; S312-D350 WeakPolarHBondContact CB-OD2 3.48Å; S312-D350 PolarHBondContact N-OD1 2.95Å; S312-D350 PolarHBondContact OG-OD2 3.49Å
313	E	91.8	Very high	94.1	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.061	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-69.5	-12.1	178.9	-72	-65.1	136.3	0	0	114	K54 Y56 R210 C311 I315	K54-E313 IonicContact NZ-OE1 3.7Å; K54-E313 PolarHBondContact NZ-OE1 3.46Å; Y56-E313 PolarHBondContact OH-OE2 3.07Å; R210-E313 HydrophobicContact CB-CB 3.94Å; R210-E313 HydrophobicContact CB-CG 4.22Å; R210-E313 IonicContact CZ-OE2 3.98Å; R210-E313 IonicContact NE-OE2 3.77Å; R210-E313 PolarHBondContact NE-OE2 3.04Å; R210-E313 IonicContact NH2-OE2 2.79Å; C311-E313 VanDerWaalsContact C-N 3.3Å; C311-E313 PolarHBondContact O-N 3.04Å; E313-I315 VanDerWaalsContact C-N 3.35Å
314	A	91.6	Very high	94.1	Very high	6 Å²	6	33 Å²	33	5%	0.05	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-78	-23.5	171.3	0	0	0	0	0	112.2	Y199 N201 C311 S312 T316	Y199-A314 HydrophobicContact CD1-CB 3.63Å; Y199-A314 HydrophobicContact CD2-CB 3.46Å; Y199-A314 VanDerWaalsContact CD2-CB 3.46Å; Y199-A314 HydrophobicContact CE1-CB 3.59Å; Y199-A314 HydrophobicContact CE2-CB 3.42Å; Y199-A314 VanDerWaalsContact CE2-CB 3.42Å; Y199-A314 HydrophobicContact CG-CB 3.57Å; Y199-A314 VanDerWaalsContact CZ-CB 3.49Å; N201-A314 PolarHBondContact ND2-O 3.36Å; C311-A314 VanDerWaalsContact O-CB 3.25Å; C311-A314 WeakPolarHBondContact O-CB 3.3Å; C311-A314 PolarHBondContact O-N 3.29Å; S312-A314 PolarHBondContact O-N 2.83Å; A314-T316 PolarHBondContact O-N 2.79Å
315	I	92	Very high	94	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.072	21%	0.207	C	C	.	.			trans	-84.1	106.8	-178.5	-50.7	-56.8	0	0	0	108.6	S312 E313 F321 I331 C333 I338	S312-I315 WeakPolarHBondContact O-CB 3.42Å; S312-I315 PolarHBondContact O-N 3.29Å; E313-I315 VanDerWaalsContact C-N 3.35Å; I315-F321 HydrophobicContact CD1-CE2 4.35Å; I315-F321 HydrophobicContact CD1-CZ 4.21Å; I315-I331 HydrophobicContact CD1-CG2 4.08Å; I315-I331 HydrophobicContact CG1-CG2 4.09Å; I315-I331 HydrophobicContact CG2-CG2 4.21Å; I315-C333 HydrophobicContact CG2-CB 4.2Å; I315-C333 PolarHBondContact O-SG 3.13Å; I315-I338 HydrophobicContact CB-CD1 4.09Å; I315-I338 HydrophobicContact CG1-CD1 4.41Å; I315-I338 HydrophobicContact CG2-CD1 4.42Å
316	T	87.7	Confident	93.9	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.098	23%	0.226	C	C	.	.			trans	-113.5	-2.3	-179.1	47.5	0	0	0	0	113.1	Y56 N62 I68 C69 N201 A314	Y56-T316 HydrophobicContact CD1-CG2 4.32Å; Y56-T316 HydrophobicContact CE1-CG2 4.23Å; N62-T316 PolarHBondContact ND2-OG1 2.9Å; N62-T316 VanDerWaalsContact ND2-OG1 3.15Å; I68-T316 HydrophobicContact CG2-CG2 4.33Å; C69-T316 PolarHBondContact N-O 2.95Å; N201-T316 PolarHBondContact ND2-OG1 3.05Å; A314-T316 PolarHBondContact O-N 2.79Å
317	G	87.6	Confident	93.7	Very high	28 Å²	28	40.1 Å²	40.1	29%	0.289	25%	0.245	S	C	.	.	S	Bend	trans	-177.7	177.6	178.1	0	0	0	0	0	110.6	A319	G317-A319 PolarHBondContact O-N 3.17Å
318	G	89.4	Confident	93.8	Very high	47 Å²	47	39 Å²	39	49%	0.485	24%	0.241	S	C	.	.			trans	-64.8	128.6	-179.8	0	0	0	0	0	112.9	I331	G318-I331 WeakPolarHBondContact CA-O 3.4Å
319	A	90.9	Very high	94	Very high	41 Å²	41	36 Å²	36	34%	0.339	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.4	174.2	0	0	0	0	0	110.3	G317 F321 E330 I331	G317-A319 PolarHBondContact O-N 3.17Å; A319-F321 HydrophobicContact CB-CD2 4.41Å; A319-F321 HydrophobicContact CB-CE2 3.62Å; A319-F321 HydrophobicContact CB-CZ 4.06Å; A319-F321 WeakPolarHBondContact O-CD2 3.05Å; A319-E330 CarbonylContact O-C 3.54Å; A319-E330 WeakPolarHBondContact O-CA 3.46Å; A319-I331 PolarHBondContact N-O 3.03Å; A319-I331 PolarHBondContact O-N 3.13Å
320	V	95.5	Very high	94.1	Very high	96 Å²	96	40.5 Å²	40.5	58%	0.582	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.1	-178.1	-179.1	0	0	0	0	109	T328 I329	V320-T328 HydrophobicContact CG1-CG2 3.81Å; V320-I329 WeakPolarHBondContact CA-O 3.39Å
321	F	96	Very high	94.1	Very high	36 Å²	36	39.5 Å²	39.5	16%	0.158	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137	-179.6	-65.2	-92.4	0	0	0	110.4	L306 Q310 I315 A319 T328 I329 I331	L306-F321 HydrophobicContact CD1-CB 4Å; L306-F321 HydrophobicContact CD1-CD1 4.33Å; L306-F321 HydrophobicContact CD1-CG 4.2Å; L306-F321 HydrophobicContact CD2-CB 3.99Å; Q310-F321 VanDerWaalsContact CD-CE1 3.5Å; Q310-F321 HydrophobicContact CG-CD1 4.32Å; Q310-F321 HydrophobicContact CG-CE1 3.92Å; Q310-F321 HydrophobicContact CG-CZ 4.35Å; I315-F321 HydrophobicContact CD1-CE2 4.35Å; I315-F321 HydrophobicContact CD1-CZ 4.21Å; A319-F321 HydrophobicContact CB-CD2 4.41Å; A319-F321 HydrophobicContact CB-CE2 3.62Å; A319-F321 HydrophobicContact CB-CZ 4.06Å; A319-F321 WeakPolarHBondContact O-CD2 3.05Å; F321-T328 CarbonylContact O-C 3.55Å; F321-T328 WeakPolarHBondContact O-CA 3.28Å; F321-T328 WeakPolarHBondContact O-CB 3.49Å; F321-I329 PolarHBondContact N-O 3.34Å; F321-I329 PolarHBondContact O-N 3.09Å; F321-I331 HydrophobicContact CB-CD1 4.27Å; F321-I331 HydrophobicContact CD2-CB 3.88Å; F321-I331 HydrophobicContact CD2-CD1 3.57Å; F321-I331 HydrophobicContact CD2-CG1 3.94Å; F321-I331 HydrophobicContact CE2-CB 3.9Å; F321-I331 HydrophobicContact CE2-CD1 4.09Å; F321-I331 HydrophobicContact CE2-CG1 4.41Å; F321-I331 HydrophobicContact CG-CD1 4.04Å
322	E	97.4	Very high	94	Very high	137 Å²	137	39.8 Å²	39.8	64%	0.64	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.3	172.7	-167.8	-179.2	164.2	0	0	110.1	L306 T328	L306-E322 WeakPolarHBondContact CD2-O 3.34Å; E322-T328 HydrophobicContact CB-CG2 4.37Å
323	T	98	Very high	93.9	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.031	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-85	167.7	175.6	69.3	0	0	0	0	110.6	Y303 I305 L306 E325 G326 N327 I329	Y303-T323 HydrophobicContact CD2-CG2 3.81Å; Y303-T323 WeakPolarHBondContact CD2-OG1 3.32Å; Y303-T323 HydrophobicContact CE2-CG2 3.99Å; Y303-T323 HydrophobicContact CG-CG2 4.5Å; Y303-T323 VanDerWaalsContact O-CG2 3.3Å; Y303-T323 WeakPolarHBondContact O-CG2 3.35Å; I305-T323 CarbonylContact O-C 3.48Å; I305-T323 WeakPolarHBondContact O-CA 3.28Å; L306-T323 HydrophobicContact CD2-CG2 4.04Å; T323-E325 PolarHBondContact O-N 3.08Å; T323-E325 VanDerWaalsContact O-N 3.15Å; T323-E325 PolarHBondContact OG1-N 3.06Å; T323-G326 PolarHBondContact O-N 3.27Å; T323-N327 WeakPolarHBondContact CB-O 3.34Å; T323-N327 WeakPolarHBondContact CG2-O 3.36Å; T323-N327 PolarHBondContact N-O 3.46Å; T323-N327 PolarHBondContact OG1-O 3.35Å; T323-I329 HydrophobicContact CG2-CB 4.44Å; T323-I329 HydrophobicContact CG2-CD1 4.07Å; T323-I329 HydrophobicContact CG2-CG1 3.89Å; T323-I329 HydrophobicContact CG2-CG2 3.88Å
324	M	96.3	Very high	93.7	Very high	55 Å²	55	43.8 Å²	43.8	27%	0.271	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.5	173.6	-70.7	-173.4	70.4	0	0	113.4	F269 K302 I305 N307 G326	F269-M324 HydrophobicContact CD1-SD 4.4Å; F269-M324 HydrophobicContact CE1-SD 4.28Å; K302-M324 HydrophobicContact CB-CB 3.94Å; K302-M324 HydrophobicContact CG-CB 4.16Å; K302-M324 PolarHBondContact O-N 3.45Å; I305-M324 HydrophobicContact CB-CB 4.43Å; I305-M324 HydrophobicContact CB-CG 4.04Å; I305-M324 HydrophobicContact CB-SD 3.73Å; I305-M324 HydrophobicContact CD1-SD 4.23Å; I305-M324 HydrophobicContact CG2-CG 3.97Å; I305-M324 HydrophobicContact CG2-SD 3.31Å; I305-M324 WeakPolarHBondContact CG2-SD 3.43Å; I305-M324 PolarHBondContact O-N 3.21Å; N307-M324 WeakPolarHBondContact OD1-CG 3.4Å; N307-M324 PolarHBondContact OD1-SD 2.86Å; M324-G326 VanDerWaalsContact C-N 3.33Å
325	E	96.7	Very high	93.4	Very high	40 Å²	40	44.2 Å²	44.2	19%	0.187	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-21.5	174.2	-174.9	-84.9	174	0	0	111.6	A299 K302 Y303 T323 N327 P367 S369	A299-E325 HydrophobicContact CB-CG 3.91Å; A299-E325 WeakPolarHBondContact O-CG 3.28Å; K302-E325 HydrophobicContact CB-CB 3.81Å; K302-E325 PolarHBondContact O-N 2.83Å; Y303-E325 HydrophobicContact CD2-CB 4.21Å; T323-E325 PolarHBondContact O-N 3.08Å; T323-E325 VanDerWaalsContact O-N 3.15Å; T323-E325 PolarHBondContact OG1-N 3.06Å; E325-N327 VanDerWaalsContact CD-ND2 3.33Å; E325-N327 PolarHBondContact OE1-ND2 3.5Å; E325-N327 VanDerWaalsContact OE1-ND2 3.12Å; E325-N327 WeakPolarHBondContact OE2-CB 3.33Å; E325-N327 VanDerWaalsContact OE2-CG 3.26Å; E325-N327 PolarHBondContact OE2-N 3.29Å; E325-N327 PolarHBondContact OE2-ND2 3.03Å; E325-P367 HydrophobicContact CG-CB 4.35Å; E325-P367 HydrophobicContact CG-CG 4.46Å; E325-S369 VanDerWaalsContact OE1-CB 3.31Å; E325-S369 WeakPolarHBondContact OE1-CB 3.44Å; E325-S369 PolarHBondContact OE1-OG 3.4Å
326	G	95.1	Very high	93	Very high	38 Å²	38	47.2 Å²	47.2	39%	0.392	28%	0.283	S	S	.	.	S	Bend	trans	105.2	-26.2	178.5	0	0	0	0	0	113.5	T323 M324	T323-G326 PolarHBondContact O-N 3.27Å; M324-G326 VanDerWaalsContact C-N 3.33Å
327	N	94.8	Very high	93.1	Very high	74 Å²	74	49 Å²	49	40%	0.396	30%	0.296	S	S	.	.			trans	-73.2	158.8	169.6	-71.1	-57.1	0	0	0	111.4	Y303 T323 E325	Y303-N327 HydrophobicContact CD2-CB 4.25Å; Y303-N327 HydrophobicContact CE2-CB 3.66Å; T323-N327 WeakPolarHBondContact CB-O 3.34Å; T323-N327 WeakPolarHBondContact CG2-O 3.36Å; T323-N327 PolarHBondContact N-O 3.46Å; T323-N327 PolarHBondContact OG1-O 3.35Å; E325-N327 VanDerWaalsContact CD-ND2 3.33Å; E325-N327 PolarHBondContact OE1-ND2 3.5Å; E325-N327 VanDerWaalsContact OE1-ND2 3.12Å; E325-N327 WeakPolarHBondContact OE2-CB 3.33Å; E325-N327 VanDerWaalsContact OE2-CG 3.26Å; E325-N327 PolarHBondContact OE2-N 3.29Å; E325-N327 PolarHBondContact OE2-ND2 3.03Å
328	T	96.1	Very high	93.4	Very high	78 Å²	78	48.1 Å²	48.1	48%	0.479	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	152.8	-179.1	61.8	0	0	0	0	112.5	Y303 V320 F321 E322	Y303-T328 PolarHBondContact OH-O 3.45Å; V320-T328 HydrophobicContact CG1-CG2 3.81Å; F321-T328 CarbonylContact O-C 3.55Å; F321-T328 WeakPolarHBondContact O-CA 3.28Å; F321-T328 WeakPolarHBondContact O-CB 3.49Å; E322-T328 HydrophobicContact CB-CG2 4.37Å
329	I	96.8	Very high	93.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.6	168.3	56.8	174.5	0	0	0	109.6	F272 Y303 L306 V320 F321 T323 I331 I340	F272-I329 HydrophobicContact CD2-CD1 4.11Å; F272-I329 HydrophobicContact CE2-CD1 3.86Å; Y303-I329 HydrophobicContact CE1-CG2 4.01Å; Y303-I329 HydrophobicContact CE2-CG2 3.86Å; Y303-I329 VanDerWaalsContact CZ-CG2 3.48Å; Y303-I329 WeakPolarHBondContact OH-CG2 3.23Å; L306-I329 HydrophobicContact CD2-CD1 4.08Å; L306-I329 HydrophobicContact CD2-CG1 4.33Å; V320-I329 WeakPolarHBondContact CA-O 3.39Å; F321-I329 PolarHBondContact N-O 3.34Å; F321-I329 PolarHBondContact O-N 3.09Å; T323-I329 HydrophobicContact CG2-CB 4.44Å; T323-I329 HydrophobicContact CG2-CD1 4.07Å; T323-I329 HydrophobicContact CG2-CG1 3.89Å; T323-I329 HydrophobicContact CG2-CG2 3.88Å; I329-I331 HydrophobicContact CD1-CD1 3.94Å; I329-I331 HydrophobicContact CD1-CG1 4.06Å; I329-I331 HydrophobicContact CG1-CD1 4.26Å; I329-I331 HydrophobicContact CG1-CG1 4.18Å; I329-I340 HydrophobicContact CB-CG2 4.43Å; I329-I340 HydrophobicContact CD1-CG2 4.4Å
330	E	96.1	Very high	93.8	Very high	97 Å²	97	44.7 Å²	44.7	45%	0.453	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.7	171.1	-174.3	178.4	179.8	0	0	109.3	A319 I340 N341	A319-E330 CarbonylContact O-C 3.54Å; A319-E330 WeakPolarHBondContact O-CA 3.46Å; E330-I340 CarbonylContact O-C 3.52Å; E330-I340 WeakPolarHBondContact O-CA 3.33Å; E330-N341 PolarHBondContact N-OD1 2.97Å; E330-N341 PolarHBondContact O-N 3.37Å
331	I	96.1	Very high	93.7	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.4	174.2	-58.9	166.8	0	0	0	107.9	F272 L306 I315 G318 A319 F321 I329 I338 S339	F272-I331 HydrophobicContact CE2-CD1 3.68Å; F272-I331 HydrophobicContact CZ-CD1 3.49Å; F272-I331 VanDerWaalsContact CZ-CD1 3.49Å; F272-I331 HydrophobicContact CZ-CG1 4.16Å; L306-I331 HydrophobicContact CD1-CD1 3.71Å; I315-I331 HydrophobicContact CD1-CG2 4.08Å; I315-I331 HydrophobicContact CG1-CG2 4.09Å; I315-I331 HydrophobicContact CG2-CG2 4.21Å; G318-I331 WeakPolarHBondContact CA-O 3.4Å; A319-I331 PolarHBondContact N-O 3.03Å; A319-I331 PolarHBondContact O-N 3.13Å; F321-I331 HydrophobicContact CB-CD1 4.27Å; F321-I331 HydrophobicContact CD2-CB 3.88Å; F321-I331 HydrophobicContact CD2-CD1 3.57Å; F321-I331 HydrophobicContact CD2-CG1 3.94Å; F321-I331 HydrophobicContact CE2-CB 3.9Å; F321-I331 HydrophobicContact CE2-CD1 4.09Å; F321-I331 HydrophobicContact CE2-CG1 4.41Å; F321-I331 HydrophobicContact CG-CD1 4.04Å; I329-I331 HydrophobicContact CD1-CD1 3.94Å; I329-I331 HydrophobicContact CD1-CG1 4.06Å; I329-I331 HydrophobicContact CG1-CD1 4.26Å; I329-I331 HydrophobicContact CG1-CG1 4.18Å; I331-I338 HydrophobicContact CG2-CG2 4.05Å; I331-S339 WeakPolarHBondContact CA-O 3.01Å
332	G	94.3	Very high	93.5	Very high	5 Å²	5	44.7 Å²	44.7	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	-168.4	178.3	0	0	0	0	0	111.2	S339	G332-S339 WeakPolarHBondContact CA-OG 3.31Å; G332-S339 PolarHBondContact N-O 2.85Å; G332-S339 PolarHBondContact O-N 3.42Å; G332-S339 PolarHBondContact O-OG 3.22Å
333	C	91.9	Very high	93.3	Very high	13 Å²	13	41.6 Å²	41.6	9%	0.088	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.2	176.6	52.2	0	0	0	0	109.5	C69 I315 S337 I338	C69-C333 CarbonylContact C-O 3.53Å; C69-C333 VanDerWaalsContact C-O 3.23Å; C69-C333 WeakPolarHBondContact CA-O 2.89Å; C69-C333 WeakPolarHBondContact CA-SG 3.45Å; C69-C333 HydrophobicContact CB-CB 3.61Å; C69-C333 WeakPolarHBondContact CB-O 3.18Å; C69-C333 WeakPolarHBondContact CB-SG 3.42Å; C69-C333 WeakPolarHBondContact SG-CB 3.15Å; C69-C333 CovalentContact SG-SG 2.02Å; C69-C333 PolarHBondContact SG-SG 2.99Å; I315-C333 HydrophobicContact CG2-CB 4.2Å; I315-C333 PolarHBondContact O-SG 3.13Å; C333-S337 CarbonylContact C-O 3.37Å; C333-S337 VanDerWaalsContact CA-O 3.26Å; C333-S337 WeakPolarHBondContact CA-O 3.43Å; C333-I338 HydrophobicContact CB-CD1 4.09Å
334	E	87.6	Confident	93.1	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.421	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	104.2	171.9	-165.5	-167.6	139.1	0	0	109.5	C69 D336 S337 K344	C69-E334 CarbonylContact O-C 3.3Å; C69-E334 VanDerWaalsContact O-CA 3.27Å; C69-E334 WeakPolarHBondContact O-CA 3.23Å; E334-D336 PolarHBondContact O-N 2.86Å; E334-S337 PolarHBondContact N-O 3.4Å; E334-S337 PolarHBondContact O-N 2.86Å; E334-K344 IonicContact OE1-NZ 3.61Å; E334-K344 PolarHBondContact OE1-NZ 2.81Å; E334-K344 WeakPolarHBondContact OE2-CE 3.36Å; E334-K344 IonicContact OE2-NZ 3.1Å; E334-K344 PolarHBondContact OE2-NZ 3.04Å
335	G	85.8	Confident	93	Very high	14 Å²	14	44 Å²	44	14%	0.144	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-127.4	-163.7	0	0	0	0	0	111.1	C69	C69-G335 WeakPolarHBondContact CB-O 3.44Å; C69-G335 PolarHBondContact O-N 3.47Å
336	D	83.9	Confident	93	Very high	78 Å²	78	43.2 Å²	43.2	42%	0.417	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.5	179.1	-72.2	-41.4	0	0	0	114.2	K54 E334 K349	K54-D336 WeakPolarHBondContact CE-OD1 3.24Å; K54-D336 IonicContact NZ-OD1 3.63Å; K54-D336 PolarHBondContact NZ-OD1 3.48Å; E334-D336 PolarHBondContact O-N 2.86Å; D336-K349 PolarHBondContact O-NZ 3.39Å
337	S	88.6	Confident	92.9	Very high	53 Å²	53	45.1 Å²	45.1	37%	0.371	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.7	178.8	-57.2	0	0	0	0	110.8	C333 E334	C333-S337 CarbonylContact C-O 3.37Å; C333-S337 VanDerWaalsContact CA-O 3.26Å; C333-S337 WeakPolarHBondContact CA-O 3.43Å; E334-S337 PolarHBondContact N-O 3.4Å; E334-S337 PolarHBondContact O-N 2.86Å
338	I	93.9	Very high	92.9	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.7	169.6	-60.4	-58.2	0	0	0	108.7	I315 I331 C333 V346	I315-I338 HydrophobicContact CB-CD1 4.09Å; I315-I338 HydrophobicContact CG1-CD1 4.41Å; I315-I338 HydrophobicContact CG2-CD1 4.42Å; I331-I338 HydrophobicContact CG2-CG2 4.05Å; C333-I338 HydrophobicContact CB-CD1 4.09Å; I338-V346 HydrophobicContact CB-CB 4.01Å; I338-V346 HydrophobicContact CB-CG1 4.44Å; I338-V346 HydrophobicContact CB-CG2 3.75Å; I338-V346 HydrophobicContact CG2-CG2 3.75Å
339	S	94.1	Very high	92.9	Very high	16 Å²	16	46.1 Å²	46.1	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.7	176.5	64.1	0	0	0	0	110.7	I331 G332 I343	I331-S339 WeakPolarHBondContact CA-O 3.01Å; G332-S339 WeakPolarHBondContact CA-OG 3.31Å; G332-S339 PolarHBondContact N-O 2.85Å; G332-S339 PolarHBondContact O-N 3.42Å; G332-S339 PolarHBondContact O-OG 3.22Å; S339-I343 CarbonylContact C-O 3.48Å; S339-I343 WeakPolarHBondContact CA-O 3.5Å
340	I	95.7	Very high	92.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.7	173.6	-54.9	174.2	0	0	0	107.4	F272 I329 E330 G342 I343 M345 V346 I361 L365	F272-I340 HydrophobicContact CB-CD1 4.34Å; F272-I340 HydrophobicContact CD1-CD1 3.34Å; F272-I340 HydrophobicContact CD1-CG1 4.42Å; F272-I340 HydrophobicContact CD2-CD1 4.47Å; F272-I340 HydrophobicContact CE1-CD1 3.65Å; F272-I340 HydrophobicContact CE1-CG1 4.28Å; F272-I340 HydrophobicContact CG-CD1 3.8Å; F272-I340 HydrophobicContact CZ-CD1 4.35Å; I329-I340 HydrophobicContact CB-CG2 4.43Å; I329-I340 HydrophobicContact CD1-CG2 4.4Å; E330-I340 CarbonylContact O-C 3.52Å; E330-I340 WeakPolarHBondContact O-CA 3.33Å; I340-G342 PolarHBondContact O-N 3.38Å; I340-G342 VanDerWaalsContact O-N 3.14Å; I340-I343 PolarHBondContact N-O 3.47Å; I340-I343 PolarHBondContact O-N 2.88Å; I340-M345 HydrophobicContact CB-CE 4.3Å; I340-M345 HydrophobicContact CB-CG 4.29Å; I340-M345 HydrophobicContact CB-SD 4.04Å; I340-M345 HydrophobicContact CD1-CG 4.11Å; I340-M345 HydrophobicContact CD1-SD 4.06Å; I340-M345 HydrophobicContact CG1-CG 4.36Å; I340-M345 HydrophobicContact CG1-SD 4.49Å; I340-V346 HydrophobicContact CD1-CG2 4.04Å; I340-V346 HydrophobicContact CG1-CG2 4.27Å; I340-I361 HydrophobicContact CD1-CG2 3.87Å; I340-L365 HydrophobicContact CG2-CD1 4.19Å; I340-L365 HydrophobicContact CG2-CD2 3.97Å
341	N	93.3	Very high	92.8	Very high	73 Å²	73	43 Å²	43	39%	0.39	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.5	-172.6	-61.6	-30	0	0	0	113	E330 I343	E330-N341 PolarHBondContact N-OD1 2.97Å; E330-N341 PolarHBondContact O-N 3.37Å; N341-I343 VanDerWaalsContact C-N 3.33Å; N341-I343 PolarHBondContact O-N 3.48Å
342	G	91.1	Very high	92.8	Very high	59 Å²	59	43.8 Å²	43.8	61%	0.608	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	1.8	-178	0	0	0	0	0	115.7	I340	I340-G342 PolarHBondContact O-N 3.38Å; I340-G342 VanDerWaalsContact O-N 3.14Å
343	I	92.9	Very high	92.8	Very high	72 Å²	72	43.6 Å²	43.6	37%	0.369	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-103.8	129.7	-179.1	-55.2	169.1	0	0	0	109.9	S339 I340 N341 M345	S339-I343 CarbonylContact C-O 3.48Å; S339-I343 WeakPolarHBondContact CA-O 3.5Å; I340-I343 PolarHBondContact N-O 3.47Å; I340-I343 PolarHBondContact O-N 2.88Å; N341-I343 VanDerWaalsContact C-N 3.33Å; N341-I343 PolarHBondContact O-N 3.48Å; I343-M345 VanDerWaalsContact C-N 3.33Å; I343-M345 HydrophobicContact CB-CE 3.66Å; I343-M345 HydrophobicContact CD1-CE 4.06Å; I343-M345 HydrophobicContact CG1-CE 4.43Å; I343-M345 HydrophobicContact CG2-CB 4.31Å; I343-M345 HydrophobicContact CG2-CE 3.79Å; I343-M345 PolarHBondContact O-N 3.43Å
344	K	94.4	Very high	92.9	Very high	105 Å²	105	48 Å²	48	46%	0.457	26%	0.258	S	S	.	.			trans	-80	76.4	176.6	-67.3	173.5	178.6	154.4	0	110.9	E334	E334-K344 IonicContact OE1-NZ 3.61Å; E334-K344 PolarHBondContact OE1-NZ 2.81Å; E334-K344 WeakPolarHBondContact OE2-CE 3.36Å; E334-K344 IonicContact OE2-NZ 3.1Å; E334-K344 PolarHBondContact OE2-NZ 3.04Å
345	M	94.2	Very high	93.2	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.03	24%	0.239	C	C	.	.			trans	-104.9	-6.8	-176.7	63.8	179	70.5	0	0	114.3	I340 I343 N347 I361 D362 E363 L365	I340-M345 HydrophobicContact CB-CE 4.3Å; I340-M345 HydrophobicContact CB-CG 4.29Å; I340-M345 HydrophobicContact CB-SD 4.04Å; I340-M345 HydrophobicContact CD1-CG 4.11Å; I340-M345 HydrophobicContact CD1-SD 4.06Å; I340-M345 HydrophobicContact CG1-CG 4.36Å; I340-M345 HydrophobicContact CG1-SD 4.49Å; I343-M345 VanDerWaalsContact C-N 3.33Å; I343-M345 HydrophobicContact CB-CE 3.66Å; I343-M345 HydrophobicContact CD1-CE 4.06Å; I343-M345 HydrophobicContact CG1-CE 4.43Å; I343-M345 HydrophobicContact CG2-CB 4.31Å; I343-M345 HydrophobicContact CG2-CE 3.79Å; I343-M345 PolarHBondContact O-N 3.43Å; M345-N347 PolarHBondContact O-N 3.46Å; M345-I361 HydrophobicContact CG-CB 4.17Å; M345-I361 HydrophobicContact CG-CG2 4.27Å; M345-I361 CarbonylContact O-C 3.56Å; M345-I361 VanDerWaalsContact O-CA 3.23Å; M345-I361 WeakPolarHBondContact O-CA 3.45Å; M345-I361 HydrophobicContact SD-CB 4.3Å; M345-I361 HydrophobicContact SD-CD1 4.32Å; M345-D362 PolarHBondContact O-N 3.11Å; M345-E363 HydrophobicContact CB-CB 4.48Å; M345-E363 HydrophobicContact CE-CB 4.14Å; M345-E363 HydrophobicContact SD-CB 4.12Å; M345-L365 HydrophobicContact CE-CD2 4.06Å; M345-L365 HydrophobicContact SD-CD2 3.7Å
346	V	96.4	Very high	93.7	Very high	22 Å²	22	43.1 Å²	43.1	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.6	-178.2	-175.4	0	0	0	0	110.1	I338 I340 K349 H359 L360 I361	I338-V346 HydrophobicContact CB-CB 4.01Å; I338-V346 HydrophobicContact CB-CG1 4.44Å; I338-V346 HydrophobicContact CB-CG2 3.75Å; I338-V346 HydrophobicContact CG2-CG2 3.75Å; I340-V346 HydrophobicContact CD1-CG2 4.04Å; I340-V346 HydrophobicContact CG1-CG2 4.27Å; V346-K349 HydrophobicContact CG1-CB 4.19Å; V346-H359 HydrophobicContact CG1-CB 3.99Å; V346-L360 WeakPolarHBondContact CA-O 3.46Å; V346-I361 HydrophobicContact CG2-CG2 4.07Å
347	N	93.8	Very high	94.3	Very high	79 Å²	79	39.4 Å²	39.4	42%	0.422	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-33.8	-177.5	68.6	36.7	0	0	0	112.9	M345 L360 D362	M345-N347 PolarHBondContact O-N 3.46Å; N347-L360 PolarHBondContact N-O 2.86Å; N347-L360 WeakPolarHBondContact OD1-CB 3.46Å; N347-D362 PolarHBondContact ND2-OD1 2.69Å
348	K	94.8	Very high	94.8	Very high	104 Å²	104	36.9 Å²	36.9	45%	0.452	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.7	-179.8	-173	176.3	176.6	-175.2	0	108.4	I351 H359 L360	K348-I351 HydrophobicContact CD-CD1 3.95Å; K348-I351 HydrophobicContact CD-CG1 4.46Å; K348-I351 HydrophobicContact CG-CD1 4.08Å; K348-I351 HydrophobicContact CG-CG1 4.34Å; K348-H359 CarbonylContact O-C 3.33Å; K348-H359 WeakPolarHBondContact O-CA 3.43Å; K348-L360 HydrophobicContact CB-CB 4.05Å; K348-L360 HydrophobicContact CB-CD1 4.05Å; K348-L360 HydrophobicContact CB-CG 4.05Å; K348-L360 HydrophobicContact CD-CD1 3.92Å; K348-L360 HydrophobicContact CD-CG 4.49Å; K348-L360 PolarHBondContact O-N 2.68Å
349	K	94.8	Very high	95	Very high	69 Å²	69	36.7 Å²	36.7	30%	0.3	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.4	-170.7	64.9	-170.1	-173.3	170.6	0	111.8	S312 D336 V346 H359	S312-K349 WeakPolarHBondContact OG-CD 3.41Å; D336-K349 PolarHBondContact O-NZ 3.39Å; V346-K349 HydrophobicContact CG1-CB 4.19Å; K349-H359 WeakPolarHBondContact CA-ND1 3.47Å
350	D	95.6	Very high	95.2	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	45.6	173.1	-55.8	-42.8	0	0	0	114.1	C208 S312 V352 H359	C208-D350 HydrophobicContact CB-CB 3.98Å; S312-D350 WeakPolarHBondContact CB-OD1 3.48Å; S312-D350 WeakPolarHBondContact CB-OD2 3.48Å; S312-D350 PolarHBondContact N-OD1 2.95Å; S312-D350 PolarHBondContact OG-OD2 3.49Å; D350-V352 PolarHBondContact O-N 3.41Å; D350-H359 PolarHBondContact N-ND1 3Å; D350-H359 VanDerWaalsContact N-ND1 3.15Å; D350-H359 IonicContact OD1-CE1 2.92Å; D350-H359 PolarHBondContact OD1-CE1 3.3Å
351	I	96.1	Very high	95.3	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	100.8	166.5	-60.1	161.5	0	0	0	107	F240 K348 V357 I358 L360	F240-I351 HydrophobicContact CD2-CG2 3.91Å; F240-I351 HydrophobicContact CE1-CD1 4.19Å; F240-I351 HydrophobicContact CE1-CG2 4.35Å; F240-I351 HydrophobicContact CE2-CG2 3.65Å; F240-I351 HydrophobicContact CG-CG2 4.39Å; F240-I351 HydrophobicContact CZ-CD1 3.83Å; F240-I351 HydrophobicContact CZ-CG2 3.91Å; K348-I351 HydrophobicContact CD-CD1 3.95Å; K348-I351 HydrophobicContact CD-CG1 4.46Å; K348-I351 HydrophobicContact CG-CD1 4.08Å; K348-I351 HydrophobicContact CG-CG1 4.34Å; I351-V357 CarbonylContact O-C 3.59Å; I351-V357 WeakPolarHBondContact O-CA 3.31Å; I351-I358 HydrophobicContact CB-CB 4.06Å; I351-I358 WeakPolarHBondContact CB-O 3.36Å; I351-I358 HydrophobicContact CG2-CB 4.39Å; I351-I358 PolarHBondContact N-O 2.75Å; I351-I358 PolarHBondContact O-N 3.14Å; I351-L360 HydrophobicContact CD1-CD1 4.36Å; I351-L360 HydrophobicContact CD1-CD2 4.13Å; I351-L360 HydrophobicContact CD1-CG 3.89Å
352	V	95.6	Very high	95.4	Very high	19 Å²	19	34.8 Å²	34.8	12%	0.115	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.1	-172.6	-175.7	0	0	0	0	111	N207 C208 I233 G234 D350	N207-V352 HydrophobicContact CB-CG1 4.35Å; N207-V352 WeakPolarHBondContact O-CG2 3.22Å; C208-V352 HydrophobicContact CB-CG2 3.91Å; I233-V352 HydrophobicContact CB-CG1 4.42Å; I233-V352 HydrophobicContact CG2-CB 4.22Å; I233-V352 HydrophobicContact CG2-CG1 3.79Å; G234-V352 PolarHBondContact N-O 3.04Å; D350-V352 PolarHBondContact O-N 3.41Å
353	T	95.1	Very high	95.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	168.6	172.8	72.2	0	0	0	0	110.4	G234 I237 F240 N355 G356 I358	G234-T353 CarbonylContact O-C 3.56Å; G234-T353 VanDerWaalsContact O-CA 3.28Å; G234-T353 WeakPolarHBondContact O-CA 3.43Å; I237-T353 HydrophobicContact CG1-CG2 4.35Å; I237-T353 WeakPolarHBondContact CG1-OG1 3.42Å; F240-T353 HydrophobicContact CB-CG2 4.5Å; T353-N355 PolarHBondContact O-N 2.94Å; T353-N355 PolarHBondContact OG1-OD1 3.3Å; T353-N355 VanDerWaalsContact OG1-OD1 3.11Å; T353-G356 PolarHBondContact N-O 2.88Å; T353-G356 PolarHBondContact O-N 3.48Å; T353-G356 VanDerWaalsContact O-O 3.06Å; T353-G356 PolarHBondContact OG1-N 3.29Å; T353-G356 PolarHBondContact OG1-O 3.49Å; T353-I358 HydrophobicContact CG2-CD1 4.09Å
354	K	92.9	Very high	95.8	Very high	105 Å²	105	33.4 Å²	33.4	46%	0.457	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.4	178.4	-170.2	-167.2	164.2	-149.1	0	113.5	F195 G234 T235 D266	F195-K354 WeakPolarHBondContact CE1-O 3.46Å; F195-K354 HydrophobicContact CZ-CB 4.35Å; F195-K354 HydrophobicContact CZ-CG 3.94Å; F195-K354 VanDerWaalsContact CZ-O 3.32Å; F195-K354 WeakPolarHBondContact CZ-O 3.45Å; G234-K354 PolarHBondContact O-N 3.01Å; T235-K354 WeakPolarHBondContact O-CB 3.49Å; D266-K354 IonicContact OD1-NZ 3.69Å; D266-K354 PolarHBondContact OD1-NZ 2.92Å; D266-K354 IonicContact OD2-NZ 3.03Å
355	N	94.3	Very high	96	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.011	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	11.4	-174.4	68.3	-27.8	0	0	0	113.9	S236 I237 L263 R265 G267 F269 T353	S236-N355 VanDerWaalsContact CA-OD1 3.31Å; S236-N355 WeakPolarHBondContact CA-OD1 3.38Å; I237-N355 PolarHBondContact N-OD1 2.05Å; L263-N355 PolarHBondContact O-ND2 3.28Å; R265-N355 WeakPolarHBondContact O-CB 3.29Å; R265-N355 PolarHBondContact O-ND2 3.04Å; G267-N355 CarbonylContact C-O 3.52Å; G267-N355 VanDerWaalsContact C-O 3.27Å; G267-N355 CarbonylContact O-C 3.55Å; G267-N355 VanDerWaalsContact O-C 3.3Å; G267-N355 VanDerWaalsContact O-CA 3.25Å; G267-N355 WeakPolarHBondContact O-CA 3.36Å; F269-N355 WeakPolarHBondContact CD2-O 3.31Å; F269-N355 PolarHBondContact N-O 2.8Å; T353-N355 PolarHBondContact O-N 2.94Å; T353-N355 PolarHBondContact OG1-OD1 3.3Å; T353-N355 VanDerWaalsContact OG1-OD1 3.11Å
356	G	95.6	Very high	96.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.5	-160.3	175.9	0	0	0	0	0	115.5	F269 T353	F269-G356 CarbonylContact O-C 3.5Å; F269-G356 WeakPolarHBondContact O-CA 3.46Å; T353-G356 PolarHBondContact N-O 2.88Å; T353-G356 PolarHBondContact O-N 3.48Å; T353-G356 VanDerWaalsContact O-O 3.06Å; T353-G356 PolarHBondContact OG1-N 3.29Å; T353-G356 PolarHBondContact OG1-O 3.49Å
357	V	97.3	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.2	176.5	65.6	0	0	0	0	110.1	F269 T270 L271 L309 I351	F269-V357 PolarHBondContact O-N 2.92Å; T270-V357 CarbonylContact C-O 3.04Å; T270-V357 WeakPolarHBondContact CA-O 3.49Å; T270-V357 HydrophobicContact CG2-CG1 3.98Å; L271-V357 PolarHBondContact N-O 3.03Å; L309-V357 HydrophobicContact CD2-CB 4.35Å; L309-V357 HydrophobicContact CD2-CG1 4.03Å; L309-V357 HydrophobicContact CG-CB 4.28Å; L309-V357 HydrophobicContact CG-CG1 3.95Å; I351-V357 CarbonylContact O-C 3.59Å; I351-V357 WeakPolarHBondContact O-CA 3.31Å
358	I	98.4	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.5	176.9	-50	170.2	0	0	0	109	I237 F240 L271 A273 I351 T353 L360	I237-I358 HydrophobicContact CB-CD1 4.31Å; I237-I358 HydrophobicContact CD1-CG1 4.47Å; I237-I358 HydrophobicContact CG1-CD1 4.17Å; I237-I358 HydrophobicContact CG1-CG1 3.98Å; I237-I358 HydrophobicContact CG2-CD1 4.01Å; I237-I358 HydrophobicContact CG2-CG1 4.23Å; F240-I358 HydrophobicContact CB-CD1 3.79Å; F240-I358 HydrophobicContact CD1-CD1 3.34Å; F240-I358 HydrophobicContact CE1-CD1 4.14Å; F240-I358 HydrophobicContact CG-CD1 3.68Å; L271-I358 HydrophobicContact CB-CG1 4.3Å; L271-I358 HydrophobicContact CB-CG2 4.48Å; L271-I358 HydrophobicContact CD2-CG1 4.41Å; L271-I358 HydrophobicContact CD2-CG2 4.29Å; L271-I358 HydrophobicContact CG-CG2 4.4Å; L271-I358 CarbonylContact O-C 3.54Å; L271-I358 WeakPolarHBondContact O-CA 3.3Å; A273-I358 HydrophobicContact CB-CG2 3.68Å; I351-I358 HydrophobicContact CB-CB 4.06Å; I351-I358 WeakPolarHBondContact CB-O 3.36Å; I351-I358 HydrophobicContact CG2-CB 4.39Å; I351-I358 PolarHBondContact N-O 2.75Å; I351-I358 PolarHBondContact O-N 3.14Å; T353-I358 HydrophobicContact CG2-CD1 4.09Å; I358-L360 HydrophobicContact CG2-CD2 4.08Å
359	H	98.1	Very high	96.3	Very high	5 Å²	5	24 Å²	24	2%	0.023	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.1	169.4	-55.8	-68.7	0	0	0	107.8	L271 F272 A273 Q310 V346 K348 K349 D350	L271-H359 PolarHBondContact O-N 2.91Å; F272-H359 CarbonylContact C-O 3.55Å; F272-H359 VanDerWaalsContact CA-O 3.28Å; F272-H359 WeakPolarHBondContact CA-O 3.29Å; F272-H359 HydrophobicContact CD1-CB 3.84Å; F272-H359 HydrophobicContact CE1-CB 4.05Å; F272-H359 AromaticContact CE1-CD2 3.68Å; A273-H359 PolarHBondContact N-O 2.81Å; Q310-H359 PolarHBondContact O-NE2 2.94Å; V346-H359 HydrophobicContact CG1-CB 3.99Å; K348-H359 CarbonylContact O-C 3.33Å; K348-H359 WeakPolarHBondContact O-CA 3.43Å; K349-H359 WeakPolarHBondContact CA-ND1 3.47Å; D350-H359 PolarHBondContact N-ND1 3Å; D350-H359 VanDerWaalsContact N-ND1 3.15Å; D350-H359 IonicContact OD1-CE1 2.92Å; D350-H359 PolarHBondContact OD1-CE1 3.3Å
360	L	98.4	Very high	96.4	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.8	177.9	-58.8	-167.9	0	0	0	110.2	L247 A273 T275 V346 N347 K348 I351 I358	L247-L360 HydrophobicContact CD1-CD2 3.9Å; L247-L360 HydrophobicContact CD2-CD2 4.05Å; L247-L360 HydrophobicContact CG-CD2 4.43Å; A273-L360 HydrophobicContact CB-CD2 3.85Å; A273-L360 WeakPolarHBondContact O-CA 3.27Å; T275-L360 HydrophobicContact CG2-CB 4.36Å; V346-L360 WeakPolarHBondContact CA-O 3.46Å; N347-L360 PolarHBondContact N-O 2.86Å; N347-L360 WeakPolarHBondContact OD1-CB 3.46Å; K348-L360 HydrophobicContact CB-CB 4.05Å; K348-L360 HydrophobicContact CB-CD1 4.05Å; K348-L360 HydrophobicContact CB-CG 4.05Å; K348-L360 HydrophobicContact CD-CD1 3.92Å; K348-L360 HydrophobicContact CD-CG 4.49Å; K348-L360 PolarHBondContact O-N 2.68Å; I351-L360 HydrophobicContact CD1-CD1 4.36Å; I351-L360 HydrophobicContact CD1-CD2 4.13Å; I351-L360 HydrophobicContact CD1-CG 3.89Å; I358-L360 HydrophobicContact CG2-CD2 4.08Å
361	I	97.9	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.9	-177.5	66.9	175.1	0	0	0	112.7	F272 A273 P274 T275 I340 M345 V346 E363 L365	F272-I361 HydrophobicContact CB-CD1 4.03Å; F272-I361 HydrophobicContact CB-CG2 4.05Å; F272-I361 HydrophobicContact CD1-CG2 4.1Å; A273-I361 PolarHBondContact O-N 3.4Å; P274-I361 WeakPolarHBondContact CA-O 3.42Å; P274-I361 HydrophobicContact CB-CD1 4.26Å; P274-I361 HydrophobicContact CB-CG1 3.94Å; T275-I361 PolarHBondContact N-O 3.27Å; T275-I361 VanDerWaalsContact N-O 3.11Å; I340-I361 HydrophobicContact CD1-CG2 3.87Å; M345-I361 HydrophobicContact CG-CB 4.17Å; M345-I361 HydrophobicContact CG-CG2 4.27Å; M345-I361 CarbonylContact O-C 3.56Å; M345-I361 VanDerWaalsContact O-CA 3.23Å; M345-I361 WeakPolarHBondContact O-CA 3.45Å; M345-I361 HydrophobicContact SD-CB 4.3Å; M345-I361 HydrophobicContact SD-CD1 4.32Å; V346-I361 HydrophobicContact CG2-CG2 4.07Å; I361-E363 WeakPolarHBondContact CD1-O 3.27Å; I361-E363 VanDerWaalsContact CG1-O 3.31Å; I361-E363 WeakPolarHBondContact CG1-O 3.4Å; I361-L365 HydrophobicContact CD1-CD1 4.17Å; I361-L365 HydrophobicContact CD1-CG 3.87Å
362	D	95.8	Very high	96.4	Very high	44 Å²	44	22.2 Å²	22.2	24%	0.235	11%	0.112	C	C	.	.	S	Bend	trans	-88.8	-2.5	-177.3	-68.9	-35.6	0	0	0	114.6	A278 K281 M345 N347	A278-D362 WeakPolarHBondContact CA-O 3.35Å; A278-D362 WeakPolarHBondContact CB-O 3.4Å; K281-D362 WeakPolarHBondContact CD-O 3.15Å; K281-D362 PolarHBondContact NZ-O 3.34Å; M345-D362 PolarHBondContact O-N 3.11Å; N347-D362 PolarHBondContact ND2-OD1 2.69Å
363	E	96.3	Very high	96.5	Very high	84 Å²	84	21.4 Å²	21.4	39%	0.393	11%	0.107	S	C	.	.	S	Bend	trans	-136	145	179.5	-68	-176	-155.9	0	0	110.6	M345 I361	M345-E363 HydrophobicContact CB-CB 4.48Å; M345-E363 HydrophobicContact CE-CB 4.14Å; M345-E363 HydrophobicContact SD-CB 4.12Å; I361-E363 WeakPolarHBondContact CD1-O 3.27Å; I361-E363 VanDerWaalsContact CG1-O 3.31Å; I361-E363 WeakPolarHBondContact CG1-O 3.4Å
364	V	97	Very high	96.5	Very high	17 Å²	17	23.4 Å²	23.4	10%	0.103	12%	0.117	C	C	.	.			trans	-82.3	127	175	178.1	0	0	0	0	110	P274 A278 F279 L282 L300 I366	P274-V364 HydrophobicContact CB-CG2 3.93Å; P274-V364 HydrophobicContact CG-CG2 4.44Å; A278-V364 HydrophobicContact CB-CG2 4.06Å; F279-V364 HydrophobicContact CD1-CG2 3.98Å; F279-V364 HydrophobicContact CD2-CG2 4.18Å; F279-V364 HydrophobicContact CE1-CG2 4.14Å; F279-V364 HydrophobicContact CE2-CG2 4.34Å; F279-V364 HydrophobicContact CG-CG2 4Å; F279-V364 HydrophobicContact CZ-CG2 4.32Å; L282-V364 HydrophobicContact CD1-CB 4.4Å; L282-V364 HydrophobicContact CD1-CG2 4.15Å; L282-V364 HydrophobicContact CD2-CB 4.16Å; L282-V364 HydrophobicContact CG-CG2 4.35Å; L300-V364 HydrophobicContact CD1-CG1 3.82Å; L300-V364 HydrophobicContact CD2-CG1 4.41Å; L300-V364 HydrophobicContact CG-CG1 4.48Å; V364-I366 HydrophobicContact CG1-CG1 4.12Å; V364-I366 PolarHBondContact O-N 3.05Å
365	L	97.3	Very high	96.6	Very high	11 Å²	11	21.8 Å²	21.8	6%	0.058	11%	0.111	C	C	.	.			trans	-79	102.4	173.9	-54.1	177.6	0	0	0	109.8	F272 L300 Y303 H304 I340 M345 I361 P367	F272-L365 HydrophobicContact CB-CD1 4.4Å; L300-L365 WeakPolarHBondContact CD1-O 3.16Å; Y303-L365 HydrophobicContact CD1-CB 3.66Å; Y303-L365 WeakPolarHBondContact CD1-O 2.97Å; Y303-L365 HydrophobicContact CE1-CB 3.96Å; H304-L365 PolarHBondContact CE1-N 3.02Å; H304-L365 PolarHBondContact CE1-O 3.25Å; H304-L365 WeakPolarHBondContact NE2-CB 3.5Å; H304-L365 PolarHBondContact NE2-N 3.31Å; I340-L365 HydrophobicContact CG2-CD1 4.19Å; I340-L365 HydrophobicContact CG2-CD2 3.97Å; M345-L365 HydrophobicContact CE-CD2 4.06Å; M345-L365 HydrophobicContact SD-CD2 3.7Å; I361-L365 HydrophobicContact CD1-CD1 4.17Å; I361-L365 HydrophobicContact CD1-CG 3.87Å; L365-P367 WeakPolarHBondContact O-CD 3.33Å
366	I	96.7	Very high	96.7	Very high	36 Å²	36	21.8 Å²	21.8	19%	0.185	11%	0.111	C	C	.	.			trans	-94.7	112.9	177.8	-50.2	178.5	0	0	0	109.9	L282 V286 I290 L300 V364 A370 K371	L282-I366 HydrophobicContact CD2-CD1 3.68Å; L282-I366 HydrophobicContact CD2-CG1 4.46Å; V286-I366 HydrophobicContact CG1-CD1 4.29Å; I290-I366 HydrophobicContact CD1-CD1 4.49Å; I290-I366 HydrophobicContact CD1-CG2 4.1Å; L300-I366 HydrophobicContact CD1-CB 4.29Å; L300-I366 HydrophobicContact CD1-CG1 4.06Å; L300-I366 HydrophobicContact CD1-CG2 4.35Å; V364-I366 HydrophobicContact CG1-CG1 4.12Å; V364-I366 PolarHBondContact O-N 3.05Å; I366-A370 HydrophobicContact CG2-CB 4.15Å; I366-K371 HydrophobicContact CG2-CG 3.8Å; I366-K371 WeakPolarHBondContact O-CE 3.46Å; I366-K371 PolarHBondContact O-NZ 3.3Å
367	P	96.9	Very high	96.7	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.121	C	C	.	.			trans	-68.5	155.4	175.6	29.6	-34.2	0	0	0	110.6	A299 Y303 E325 L365 S369 A370	A299-P367 HydrophobicContact CB-CG 4.24Å; Y303-P367 HydrophobicContact CD1-CB 3.91Å; Y303-P367 HydrophobicContact CD1-CG 4.33Å; Y303-P367 HydrophobicContact CD2-CB 3.85Å; Y303-P367 HydrophobicContact CE1-CB 4.32Å; Y303-P367 HydrophobicContact CE2-CB 4.32Å; Y303-P367 HydrophobicContact CG-CB 3.66Å; Y303-P367 HydrophobicContact CG-CG 4.08Å; E325-P367 HydrophobicContact CG-CB 4.35Å; E325-P367 HydrophobicContact CG-CG 4.46Å; L365-P367 WeakPolarHBondContact O-CD 3.33Å; P367-S369 PolarHBondContact O-N 2.94Å; P367-A370 HydrophobicContact CG-CB 3.95Å; P367-A370 PolarHBondContact O-N 3.39Å; P367-A370 VanDerWaalsContact O-N 3.08Å
368	D	96.6	Very high	96.4	Very high	40 Å²	40	24.2 Å²	24.2	21%	0.214	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.9	178.1	-75.9	-8.4	0	0	0	111.4	A370 K371 L376 K478 Q479 G480	D368-A370 PolarHBondContact O-N 3.39Å; D368-A370 VanDerWaalsContact O-N 3.13Å; D368-K371 WeakPolarHBondContact O-CB 3.5Å; D368-K371 PolarHBondContact O-N 3.3Å; D368-K371 IonicContact OD1-NZ 2.72Å; D368-K371 PolarHBondContact OD1-NZ 2.86Å; D368-L376 HydrophobicContact CB-CD2 3.68Å; D368-K478 WeakPolarHBondContact OD2-CD 3.36Å; D368-Q479 CarbonylContact C-O 3.55Å; D368-G480 WeakPolarHBondContact O-CA 3.26Å
369	S	96.4	Very high	96.2	Very high	32 Å²	32	33 Å²	33	22%	0.224	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.4	176.5	58.3	0	0	0	0	115.4	E325 P367 R481	E325-S369 VanDerWaalsContact OE1-CB 3.31Å; E325-S369 WeakPolarHBondContact OE1-CB 3.44Å; E325-S369 PolarHBondContact OE1-OG 3.4Å; P367-S369 PolarHBondContact O-N 2.94Å; S369-R481 VanDerWaalsContact O-CA 3.31Å; S369-R481 WeakPolarHBondContact O-CA 3.48Å; S369-R481 VanDerWaalsContact O-CB 3.29Å; S369-R481 WeakPolarHBondContact O-CB 3.43Å; S369-R481 PolarHBondContact O-N 3.3Å
370	A	96.5	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-100.2	-9.1	175	0	0	0	0	0	113.4	R289 I290 A296 I366 P367 D368	R289-A370 PolarHBondContact NH1-O 2.94Å; I290-A370 HydrophobicContact CD1-CB 4.48Å; A296-A370 HydrophobicContact CB-CB 4.13Å; I366-A370 HydrophobicContact CG2-CB 4.15Å; P367-A370 HydrophobicContact CG-CB 3.95Å; P367-A370 PolarHBondContact O-N 3.39Å; P367-A370 VanDerWaalsContact O-N 3.08Å; D368-A370 PolarHBondContact O-N 3.39Å; D368-A370 VanDerWaalsContact O-N 3.13Å
371	K	96.4	Very high	96.1	Very high	47 Å²	47	38.2 Å²	38.2	20%	0.204	20%	0.196	C	C	.	.	S	Bend	trans	-82.7	146.9	179.6	-70.4	177.8	-163.8	156	0	111.9	I366 D368 E375 L376 R481	I366-K371 HydrophobicContact CG2-CG 3.8Å; I366-K371 WeakPolarHBondContact O-CE 3.46Å; I366-K371 PolarHBondContact O-NZ 3.3Å; D368-K371 WeakPolarHBondContact O-CB 3.5Å; D368-K371 PolarHBondContact O-N 3.3Å; D368-K371 IonicContact OD1-NZ 2.72Å; D368-K371 PolarHBondContact OD1-NZ 2.86Å; K371-E375 VanDerWaalsContact CA-OE2 3.23Å; K371-E375 WeakPolarHBondContact CA-OE2 3.15Å; K371-E375 HydrophobicContact CB-CB 3.92Å; K371-E375 HydrophobicContact CD-CB 4.42Å; K371-E375 HydrophobicContact CG-CB 4.26Å; K371-L376 HydrophobicContact CB-CD2 3.9Å; K371-L376 HydrophobicContact CD-CD2 4.42Å; K371-R481 WeakPolarHBondContact O-CB 3.46Å; K371-R481 PolarHBondContact O-N 3Å
372	Q	95.1	Very high	96	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.075	21%	0.214	C	C	.	.			trans	-68.8	157	166.1	-64.5	-65.5	-65.8	0	0	110.3	R289 I374 E375 L376 N482	R289-Q372 VanDerWaalsContact CZ-CG 3.4Å; Q372-I374 PolarHBondContact O-N 2.56Å; Q372-I374 VanDerWaalsContact O-N 3.1Å; Q372-E375 HydrophobicContact CB-CG 4.13Å; Q372-E375 PolarHBondContact N-OE2 3.18Å; Q372-E375 WeakPolarHBondContact O-CA 3.35Å; Q372-E375 WeakPolarHBondContact O-CB 3.42Å; Q372-E375 PolarHBondContact O-N 3.01Å; Q372-L376 PolarHBondContact O-N 3.4Å; Q372-N482 WeakPolarHBondContact CA-OD1 3.16Å; Q372-N482 PolarHBondContact OE1-ND2 3.08Å; Q372-N482 PolarHBondContact OE1-OD1 3.38Å
373	V	96.8	Very high	96.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-53.1	-37.9	-176.7	71.3	0	0	0	0	113.7	L376 L397 Y403 L405 N482 A484	V373-L376 HydrophobicContact CG2-CD1 4.49Å; V373-L376 WeakPolarHBondContact O-CB 3.44Å; V373-L376 PolarHBondContact O-N 2.88Å; V373-L397 HydrophobicContact CG1-CB 4.42Å; V373-L397 HydrophobicContact CG1-CD1 4.1Å; V373-L397 HydrophobicContact CG1-CD2 4.4Å; V373-Y403 HydrophobicContact CG1-CD2 4.46Å; V373-L405 HydrophobicContact CB-CD1 4.48Å; V373-L405 HydrophobicContact CG1-CD1 4.18Å; V373-L405 HydrophobicContact CG1-CG 4.33Å; V373-L405 HydrophobicContact CG2-CB 4.47Å; V373-L405 HydrophobicContact CG2-CD1 3.9Å; V373-L405 HydrophobicContact CG2-CG 3.7Å; V373-N482 PolarHBondContact N-OD1 3.24Å; V373-A484 WeakPolarHBondContact CG2-O 3.39Å
374	I	95.3	Very high	96.1	Very high	43 Å²	43	36.9 Å²	36.9	22%	0.221	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-73.3	-28.9	178.9	-162.9	167.3	0	0	0	112.8	Q372 L376 A377 T385 V388 A394 L397 L405	Q372-I374 PolarHBondContact O-N 2.56Å; Q372-I374 VanDerWaalsContact O-N 3.1Å; I374-L376 PolarHBondContact O-N 2.96Å; I374-A377 WeakPolarHBondContact O-CB 3.2Å; I374-A377 PolarHBondContact O-N 3.2Å; I374-T385 HydrophobicContact CG1-CG2 4.05Å; I374-V388 HydrophobicContact CD1-CG1 4.17Å; I374-A394 HydrophobicContact CD1-CB 3.98Å; I374-L397 HydrophobicContact CB-CD1 4.16Å; I374-L397 HydrophobicContact CD1-CD1 4.29Å; I374-L405 HydrophobicContact CB-CD1 4.47Å
375	E	95	Very high	96.1	Very high	72 Å²	72	37 Å²	37	34%	0.336	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-75.5	-13	178.5	-62.1	167.5	-179.6	0	0	112.2	R289 K371 Q372 A377	R289-E375 IonicContact CZ-OE1 2.92Å; R289-E375 IonicContact CZ-OE2 3.56Å; R289-E375 IonicContact NE-OE1 3.88Å; R289-E375 IonicContact NH2-OE1 3.39Å; R289-E375 PolarHBondContact NH2-OE1 3.32Å; R289-E375 IonicContact NH2-OE2 3.79Å; R289-E375 PolarHBondContact NH2-OE2 2.91Å; K371-E375 VanDerWaalsContact CA-OE2 3.23Å; K371-E375 WeakPolarHBondContact CA-OE2 3.15Å; K371-E375 HydrophobicContact CB-CB 3.92Å; K371-E375 HydrophobicContact CD-CB 4.42Å; K371-E375 HydrophobicContact CG-CB 4.26Å; Q372-E375 HydrophobicContact CB-CG 4.13Å; Q372-E375 PolarHBondContact N-OE2 3.18Å; Q372-E375 WeakPolarHBondContact O-CA 3.35Å; Q372-E375 WeakPolarHBondContact O-CB 3.42Å; Q372-E375 PolarHBondContact O-N 3.01Å; E375-A377 VanDerWaalsContact C-N 3.26Å; E375-A377 PolarHBondContact O-N 3.45Å
376	L	96.5	Very high	96.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-72.1	-21.7	176	-62.1	173.6	0	0	0	113	D368 K371 Q372 V373 I374 K478 G480 I485	D368-L376 HydrophobicContact CB-CD2 3.68Å; K371-L376 HydrophobicContact CB-CD2 3.9Å; K371-L376 HydrophobicContact CD-CD2 4.42Å; Q372-L376 PolarHBondContact O-N 3.4Å; V373-L376 HydrophobicContact CG2-CD1 4.49Å; V373-L376 WeakPolarHBondContact O-CB 3.44Å; V373-L376 PolarHBondContact O-N 2.88Å; I374-L376 PolarHBondContact O-N 2.96Å; L376-K478 HydrophobicContact CB-CB 4.42Å; L376-K478 HydrophobicContact CB-CD 4.43Å; L376-K478 HydrophobicContact CD2-CB 4.41Å; L376-K478 VanDerWaalsContact O-CD 3.3Å; L376-K478 WeakPolarHBondContact O-CD 3.46Å; L376-K478 PolarHBondContact O-NZ 3.43Å; L376-K478 VanDerWaalsContact O-NZ 3.11Å; L376-G480 VanDerWaalsContact CD1-N 3.34Å; L376-I485 HydrophobicContact CB-CB 4.34Å; L376-I485 HydrophobicContact CB-CG2 3.52Å; L376-I485 HydrophobicContact CD1-CG2 4.03Å; L376-I485 HydrophobicContact CG-CG2 4.44Å
377	A	95.4	Very high	96.1	Very high	25 Å²	25	39.7 Å²	39.7	21%	0.207	21%	0.211	C	C	.	.			trans	-59.4	139.3	-178.9	0	0	0	0	0	111.8	I374 E375 Q381 T385 I485	I374-A377 WeakPolarHBondContact O-CB 3.2Å; I374-A377 PolarHBondContact O-N 3.2Å; E375-A377 VanDerWaalsContact C-N 3.26Å; E375-A377 PolarHBondContact O-N 3.45Å; A377-Q381 HydrophobicContact CB-CB 4.05Å; A377-T385 HydrophobicContact CB-CG2 3.32Å; A377-I485 HydrophobicContact CB-CD1 3.93Å
378	G	92.2	Very high	96	Very high	27 Å²	27	39.7 Å²	39.7	28%	0.278	21%	0.211	S	C	.	.			trans	-102.1	-171.7	178.2	0	0	0	0	0	112.9	Q380 Q381	G378-Q380 PolarHBondContact O-N 2.68Å; G378-Q381 PolarHBondContact O-N 3.46Å
379	K	94.1	Very high	96	Very high	185 Å²	185	40.7 Å²	40.7	80%	0.804	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.2	179.1	-64.4	-176.2	179.3	-179.6	0	114.3	T382 N410	K379-T382 PolarHBondContact O-OG1 2.89Å; K379-N410 PolarHBondContact O-ND2 3.12Å
380	Q	95.7	Very high	95.9	Very high	110 Å²	110	46.3 Å²	46.3	51%	0.514	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.5	-178.1	-64.3	-61.9	-30.8	0	0	113.1	G378 V409 N410	G378-Q380 PolarHBondContact O-N 2.68Å; Q380-V409 CarbonylContact O-C 3.59Å; Q380-V409 VanDerWaalsContact O-CA 3.26Å; Q380-V409 WeakPolarHBondContact O-CA 3.36Å; Q380-N410 VanDerWaalsContact C-OD1 3.26Å; Q380-N410 PolarHBondContact O-N 2.92Å; Q380-N410 PolarHBondContact O-OD1 3.1Å; Q380-N410 VanDerWaalsContact O-OD1 3.07Å
381	Q	97.4	Very high	95.9	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.047	25%	0.249	C	C	.	.	S	Bend	trans	-121.7	8.9	-179.5	-65.1	73.9	47.5	0	0	112	A377 G378 T383 F384 T385 A407 N410 I487	A377-Q381 HydrophobicContact CB-CB 4.05Å; G378-Q381 PolarHBondContact O-N 3.46Å; Q381-T383 VanDerWaalsContact C-N 3.31Å; Q381-T383 PolarHBondContact O-N 3.06Å; Q381-F384 WeakPolarHBondContact O-CB 3.45Å; Q381-F384 PolarHBondContact O-N 3.41Å; Q381-F384 VanDerWaalsContact O-N 3.09Å; Q381-T385 PolarHBondContact O-N 3.07Å; Q381-T385 PolarHBondContact O-OG1 3.34Å; Q381-A407 HydrophobicContact CB-CB 4.4Å; Q381-A407 HydrophobicContact CG-CB 3.87Å; Q381-N410 PolarHBondContact N-OD1 3.31Å; Q381-I487 HydrophobicContact CG-CG2 4.48Å
382	T	96.9	Very high	95.8	Very high	60 Å²	60	46.9 Å²	46.9	37%	0.368	26%	0.257	S	S	.	.	H	α-helix	trans	-57.7	-43.7	-176.5	49.5	0	0	0	0	111.6	K379 F384 T385 D386 N410	K379-T382 PolarHBondContact O-OG1 2.89Å; T382-F384 VanDerWaalsContact C-N 3.29Å; T382-F384 PolarHBondContact O-N 3.17Å; T382-T385 WeakPolarHBondContact CA-OG1 3.33Å; T382-T385 PolarHBondContact O-N 3.39Å; T382-T385 PolarHBondContact O-OG1 2.99Å; T382-D386 VanDerWaalsContact O-CB 3.3Å; T382-D386 WeakPolarHBondContact O-CB 3.19Å; T382-D386 PolarHBondContact O-N 3.08Å; T382-N410 PolarHBondContact N-OD1 3.32Å; T382-N410 VanDerWaalsContact N-OD1 3.11Å; T382-N410 PolarHBondContact OG1-ND2 3.25Å; T382-N410 VanDerWaalsContact OG1-ND2 3.09Å; T382-N410 PolarHBondContact OG1-OD1 2.79Å
383	T	96.9	Very high	95.8	Very high	39 Å²	39	46.3 Å²	46.3	24%	0.239	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-43	177.6	-53.2	0	0	0	0	111.1	Q381 L387 N410 F413 L418	Q381-T383 VanDerWaalsContact C-N 3.31Å; Q381-T383 PolarHBondContact O-N 3.06Å; T383-L387 HydrophobicContact CG2-CD1 4.2Å; T383-L387 WeakPolarHBondContact O-CB 3.38Å; T383-L387 WeakPolarHBondContact O-CG 3.49Å; T383-L387 PolarHBondContact O-N 3.41Å; T383-L387 VanDerWaalsContact O-N 3.11Å; T383-N410 PolarHBondContact N-OD1 3.4Å; T383-N410 PolarHBondContact OG1-OD1 3.13Å; T383-F413 HydrophobicContact CG2-CB 4Å; T383-F413 HydrophobicContact CG2-CD2 3.75Å; T383-F413 HydrophobicContact CG2-CE2 4.39Å; T383-F413 HydrophobicContact CG2-CG 3.84Å; T383-L418 HydrophobicContact CG2-CD2 4.42Å
384	F	97.7	Very high	95.6	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-49.2	177.8	172	-102.7	0	0	0	111.9	Q381 T382 D386 L387 V388 L405 A407 P408 F413 L429 H432	Q381-F384 WeakPolarHBondContact O-CB 3.45Å; Q381-F384 PolarHBondContact O-N 3.41Å; Q381-F384 VanDerWaalsContact O-N 3.09Å; T382-F384 VanDerWaalsContact C-N 3.29Å; T382-F384 PolarHBondContact O-N 3.17Å; F384-D386 VanDerWaalsContact C-N 3.33Å; F384-D386 PolarHBondContact O-N 3.05Å; F384-L387 PolarHBondContact O-N 3.31Å; F384-V388 HydrophobicContact CD1-CG2 4.43Å; F384-V388 HydrophobicContact CD2-CG2 4.26Å; F384-V388 HydrophobicContact CE1-CG2 4.06Å; F384-V388 HydrophobicContact CE2-CG2 3.89Å; F384-V388 HydrophobicContact CZ-CG2 3.78Å; F384-V388 VanDerWaalsContact O-CG2 3.32Å; F384-V388 WeakPolarHBondContact O-CG2 3.49Å; F384-V388 PolarHBondContact O-N 3.03Å; F384-L405 HydrophobicContact CE1-CB 4.29Å; F384-L405 HydrophobicContact CE1-CD1 4.43Å; F384-A407 HydrophobicContact CD1-CB 3.49Å; F384-A407 VanDerWaalsContact CD1-CB 3.49Å; F384-A407 HydrophobicContact CE1-CB 3.65Å; F384-A407 HydrophobicContact CG-CB 4.1Å; F384-A407 HydrophobicContact CZ-CB 4.36Å; F384-P408 VanDerWaalsContact CD2-CD 3.5Å; F384-F413 HydrophobicContact CB-CE2 3.99Å; F384-F413 HydrophobicContact CB-CZ 4.01Å; F384-F413 HydrophobicContact CD2-CZ 4.11Å; F384-L429 HydrophobicContact CD2-CD2 3.97Å; F384-L429 HydrophobicContact CE2-CD2 3.98Å; F384-H432 HydrophobicContact CE2-CB 3.72Å; F384-H432 HydrophobicContact CZ-CB 4.08Å
385	T	96.9	Very high	95.3	Very high	19 Å²	19	50.4 Å²	50.4	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-35.5	-178.9	49.4	0	0	0	0	113	I374 A377 Q381 T382 V388 S389	I374-T385 HydrophobicContact CG1-CG2 4.05Å; A377-T385 HydrophobicContact CB-CG2 3.32Å; Q381-T385 PolarHBondContact O-N 3.07Å; Q381-T385 PolarHBondContact O-OG1 3.34Å; T382-T385 WeakPolarHBondContact CA-OG1 3.33Å; T382-T385 PolarHBondContact O-N 3.39Å; T382-T385 PolarHBondContact O-OG1 2.99Å; T385-V388 PolarHBondContact O-N 2.92Å; T385-S389 WeakPolarHBondContact O-CB 3.3Å; T385-S389 PolarHBondContact O-N 3.14Å; T385-S389 PolarHBondContact O-OG 3.33Å
386	D	96.4	Very high	95.1	Very high	86 Å²	86	49.1 Å²	49.1	46%	0.46	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-45.7	176.6	-69.3	-13	0	0	0	110.3	T382 F384 S389 Q390	T382-D386 VanDerWaalsContact O-CB 3.3Å; T382-D386 WeakPolarHBondContact O-CB 3.19Å; T382-D386 PolarHBondContact O-N 3.08Å; F384-D386 VanDerWaalsContact C-N 3.33Å; F384-D386 PolarHBondContact O-N 3.05Å; D386-S389 PolarHBondContact O-N 3.49Å; D386-Q390 WeakPolarHBondContact O-CB 3.3Å; D386-Q390 VanDerWaalsContact O-CG 3.24Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3.05Å
387	L	96.6	Very high	95	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.089	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-42.2	176.8	-69.5	173	0	0	0	112.6	T383 F384 S389 Q390 L391 F413 L418 L425 L429	T383-L387 HydrophobicContact CG2-CD1 4.2Å; T383-L387 WeakPolarHBondContact O-CB 3.38Å; T383-L387 WeakPolarHBondContact O-CG 3.49Å; T383-L387 PolarHBondContact O-N 3.41Å; T383-L387 VanDerWaalsContact O-N 3.11Å; F384-L387 PolarHBondContact O-N 3.31Å; L387-S389 PolarHBondContact O-N 3.16Å; L387-Q390 PolarHBondContact O-N 3.09Å; L387-L391 WeakPolarHBondContact O-CB 3.34Å; L387-L391 WeakPolarHBondContact O-CG 3.38Å; L387-L391 PolarHBondContact O-N 2.95Å; L387-F413 HydrophobicContact CD1-CD1 3.85Å; L387-F413 HydrophobicContact CD1-CE1 3.78Å; L387-F413 HydrophobicContact CD1-CZ 4.44Å; L387-L418 HydrophobicContact CD1-CD2 3.98Å; L387-L418 HydrophobicContact CD2-CD2 4.41Å; L387-L425 HydrophobicContact CD1-CD2 4.47Å; L387-L425 HydrophobicContact CD2-CD2 4Å; L387-L429 HydrophobicContact CB-CD1 3.57Å
388	V	96.3	Very high	94.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-38.8	174.6	166.9	0	0	0	0	110.8	I374 F384 T385 L393 A394 L397 L429 I433	I374-V388 HydrophobicContact CD1-CG1 4.17Å; F384-V388 HydrophobicContact CD1-CG2 4.43Å; F384-V388 HydrophobicContact CD2-CG2 4.26Å; F384-V388 HydrophobicContact CE1-CG2 4.06Å; F384-V388 HydrophobicContact CE2-CG2 3.89Å; F384-V388 HydrophobicContact CZ-CG2 3.78Å; F384-V388 VanDerWaalsContact O-CG2 3.32Å; F384-V388 WeakPolarHBondContact O-CG2 3.49Å; F384-V388 PolarHBondContact O-N 3.03Å; T385-V388 PolarHBondContact O-N 2.92Å; V388-L393 HydrophobicContact CG1-CB 3.91Å; V388-L393 WeakPolarHBondContact O-CA 3.14Å; V388-L393 WeakPolarHBondContact O-CB 3.39Å; V388-L393 PolarHBondContact O-N 3.4Å; V388-A394 HydrophobicContact CG1-CB 4.37Å; V388-A394 PolarHBondContact O-N 3.43Å; V388-A394 VanDerWaalsContact O-N 3.1Å; V388-L397 HydrophobicContact CG1-CD1 4.46Å; V388-L429 HydrophobicContact CG2-CD1 4.36Å; V388-I433 HydrophobicContact CG1-CD1 4.35Å
389	S	95.1	Very high	94.7	Very high	61 Å²	61	57.1 Å²	57.1	43%	0.427	32%	0.319	S	S	.	.	H	α-helix	trans	-72.5	-50.3	177.9	-57.8	0	0	0	0	112	T385 D386 L387 L391 G392	T385-S389 WeakPolarHBondContact O-CB 3.3Å; T385-S389 PolarHBondContact O-N 3.14Å; T385-S389 PolarHBondContact O-OG 3.33Å; D386-S389 PolarHBondContact O-N 3.49Å; L387-S389 PolarHBondContact O-N 3.16Å; S389-L391 VanDerWaalsContact C-N 3.32Å; S389-L391 PolarHBondContact O-N 3.28Å; S389-G392 PolarHBondContact O-N 2.9Å; S389-G392 VanDerWaalsContact O-N 3.08Å
390	Q	95.1	Very high	94.5	Very high	150 Å²	150	54.9 Å²	54.9	70%	0.701	32%	0.317	S	S	*	.	H	α-helix	trans	-61	-36.7	-178.6	-73.2	174	12.3	0	0	112.9	D386 L387 G392	D386-Q390 WeakPolarHBondContact O-CB 3.3Å; D386-Q390 VanDerWaalsContact O-CG 3.24Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3.05Å; L387-Q390 PolarHBondContact O-N 3.09Å; Q390-G392 PolarHBondContact O-N 3.17Å
391	L	95.4	Very high	94.4	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.12	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.4	179.5	-59.8	-179.4	0	0	0	113.5	L387 S389 L393 Q422 L425 K426 L429	L387-L391 WeakPolarHBondContact O-CB 3.34Å; L387-L391 WeakPolarHBondContact O-CG 3.38Å; L387-L391 PolarHBondContact O-N 2.95Å; S389-L391 VanDerWaalsContact C-N 3.32Å; S389-L391 PolarHBondContact O-N 3.28Å; L391-L393 VanDerWaalsContact C-N 3.33Å; L391-L393 PolarHBondContact O-N 2.95Å; L391-Q422 HydrophobicContact CD2-CB 4.08Å; L391-Q422 HydrophobicContact CD2-CG 4.42Å; L391-L425 HydrophobicContact CD1-CB 4.26Å; L391-L425 HydrophobicContact CD1-CD2 4.26Å; L391-L425 HydrophobicContact CD1-CG 4.01Å; L391-K426 HydrophobicContact CB-CB 4.38Å; L391-K426 HydrophobicContact CB-CD 4.44Å; L391-K426 HydrophobicContact CB-CG 4.33Å; L391-K426 HydrophobicContact CD1-CB 3.98Å; L391-K426 WeakPolarHBondContact O-CE 3.47Å; L391-K426 PolarHBondContact O-NZ 3.46Å; L391-L429 HydrophobicContact CD1-CD1 3.75Å
392	G	94.5	Very high	94.4	Very high	36 Å²	36	55 Å²	55	37%	0.371	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	27.8	177.1	0	0	0	0	0	113.7	S389 Q390 S395	S389-G392 PolarHBondContact O-N 2.9Å; S389-G392 VanDerWaalsContact O-N 3.08Å; Q390-G392 PolarHBondContact O-N 3.17Å; G392-S395 PolarHBondContact O-OG 2.87Å
393	L	95.4	Very high	94.4	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	31%	0.309	C	S	.	.			trans	-86.4	-26.1	173	-65.1	176.3	0	0	0	111.3	V388 L391 S395 S396 K426 L429 Q430 I433 I452	V388-L393 HydrophobicContact CG1-CB 3.91Å; V388-L393 WeakPolarHBondContact O-CA 3.14Å; V388-L393 WeakPolarHBondContact O-CB 3.39Å; V388-L393 PolarHBondContact O-N 3.4Å; L391-L393 VanDerWaalsContact C-N 3.33Å; L391-L393 PolarHBondContact O-N 2.95Å; L393-S395 PolarHBondContact O-N 2.84Å; L393-S396 WeakPolarHBondContact O-CB 3.38Å; L393-S396 PolarHBondContact O-N 2.81Å; L393-S396 PolarHBondContact O-OG 2.85Å; L393-K426 HydrophobicContact CD1-CG 4.37Å; L393-K426 HydrophobicContact CD2-CG 4.18Å; L393-K426 HydrophobicContact CG-CG 4.35Å; L393-L429 HydrophobicContact CD1-CB 3.61Å; L393-Q430 HydrophobicContact CD1-CG 4.22Å; L393-Q430 HydrophobicContact CD2-CG 3.69Å; L393-I433 HydrophobicContact CB-CD1 4.25Å; L393-I433 HydrophobicContact CD1-CD1 4.46Å; L393-I452 HydrophobicContact CD2-CD1 4.34Å
394	A	93.4	Very high	94.5	Very high	31 Å²	31	51.6 Å²	51.6	26%	0.256	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.8	-36.5	176.4	0	0	0	0	0	112.9	I374 V388 S396 L397	I374-A394 HydrophobicContact CD1-CB 3.98Å; V388-A394 HydrophobicContact CG1-CB 4.37Å; V388-A394 PolarHBondContact O-N 3.43Å; V388-A394 VanDerWaalsContact O-N 3.1Å; A394-S396 PolarHBondContact O-N 2.88Å; A394-L397 WeakPolarHBondContact O-CB 3.41Å; A394-L397 PolarHBondContact O-N 2.89Å
395	S	89.3	Confident	94.5	Very high	99 Å²	99	51.5 Å²	51.5	69%	0.692	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.5	-15.6	176.9	58.2	0	0	0	0	114	G392 L393 L397	G392-S395 PolarHBondContact O-OG 2.87Å; L393-S395 PolarHBondContact O-N 2.84Å; S395-L397 VanDerWaalsContact C-N 3.33Å
396	S	90.1	Very high	94.6	Very high	44 Å²	44	50.6 Å²	50.6	31%	0.308	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-82.1	-13.8	173.9	74.3	0	0	0	0	113.2	L393 A394 K398 Y403	L393-S396 WeakPolarHBondContact O-CB 3.38Å; L393-S396 PolarHBondContact O-N 2.81Å; L393-S396 PolarHBondContact O-OG 2.85Å; A394-S396 PolarHBondContact O-N 2.88Å; S396-K398 PolarHBondContact O-N 2.97Å; S396-Y403 WeakPolarHBondContact O-CE1 3.5Å; S396-Y403 VanDerWaalsContact O-CZ 3.28Å; S396-Y403 PolarHBondContact O-OH 2.99Å
397	L	94.1	Very high	94.7	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.094	27%	0.27	C	S	.	.	S	Bend	trans	-88.1	74.2	177.6	-54.8	176.6	0	0	0	109.4	V373 I374 V388 A394 S395 Y403 L405 I433	V373-L397 HydrophobicContact CG1-CB 4.42Å; V373-L397 HydrophobicContact CG1-CD1 4.1Å; V373-L397 HydrophobicContact CG1-CD2 4.4Å; I374-L397 HydrophobicContact CB-CD1 4.16Å; I374-L397 HydrophobicContact CD1-CD1 4.29Å; V388-L397 HydrophobicContact CG1-CD1 4.46Å; A394-L397 WeakPolarHBondContact O-CB 3.41Å; A394-L397 PolarHBondContact O-N 2.89Å; S395-L397 VanDerWaalsContact C-N 3.33Å; L397-Y403 HydrophobicContact CB-CE2 4.47Å; L397-Y403 HydrophobicContact CD2-CD1 3.65Å; L397-Y403 HydrophobicContact CD2-CD2 4.19Å; L397-Y403 HydrophobicContact CD2-CE1 4.08Å; L397-Y403 HydrophobicContact CD2-CG 3.7Å; L397-L405 HydrophobicContact CD1-CD2 4.21Å; L397-L405 HydrophobicContact CD2-CD2 4.29Å; L397-I433 HydrophobicContact CD2-CD1 4.44Å; L397-I433 HydrophobicContact CD2-CG2 3.77Å
398	K	91.6	Very high	94.7	Very high	121 Å²	121	45.7 Å²	45.7	53%	0.526	27%	0.266	S	S	.	.			trans	-73.2	149.9	-174.9	-56.1	-174.2	-178.6	-179.8	0	111.8	S396 D400 G401 Y403 N482	S396-K398 PolarHBondContact O-N 2.97Å; K398-D400 WeakPolarHBondContact CB-OD1 3.47Å; K398-D400 PolarHBondContact O-N 2.93Å; K398-G401 PolarHBondContact O-N 2.83Å; K398-G401 VanDerWaalsContact O-N 3.16Å; K398-Y403 PolarHBondContact N-OH 2.8Å; K398-Y403 WeakPolarHBondContact O-CE2 3.22Å; K398-N482 PolarHBondContact O-ND2 2.93Å
399	P	90.1	Very high	94.8	Very high	83 Å²	83	47.1 Å²	47.1	54%	0.539	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.9	179.4	-24.3	34.9	0	0	0	115.1
400	D	90.1	Very high	94.9	Very high	139 Å²	139	45.8 Å²	45.8	74%	0.743	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.2	179.4	61.4	-36.8	0	0	0	113.8	K398	K398-D400 WeakPolarHBondContact CB-OD1 3.47Å; K398-D400 PolarHBondContact O-N 2.93Å
401	G	93.5	Very high	94.9	Very high	18 Å²	18	45.8 Å²	45.8	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	-94.2	158.1	177.5	0	0	0	0	0	112.7	K398 Y403 N482	K398-G401 PolarHBondContact O-N 2.83Å; K398-G401 VanDerWaalsContact O-N 3.16Å; G401-Y403 VanDerWaalsContact O-CE2 3.31Å; G401-Y403 WeakPolarHBondContact O-CE2 3.33Å; G401-N482 WeakPolarHBondContact O-CB 3.47Å; G401-N482 PolarHBondContact O-ND2 3.45Å
402	E	96.5	Very high	95	Very high	104 Å²	104	45.7 Å²	45.7	49%	0.486	27%	0.27	S	S	.	.			trans	-107.2	134.5	174.9	-71	-162.6	146.1	0	0	112.1	K435 V436 K437 N482	E402-K435 CarbonylContact O-C 3.47Å; E402-V436 PolarHBondContact O-N 3.32Å; E402-K437 HydrophobicContact CB-CB 3.92Å; E402-K437 HydrophobicContact CG-CB 4.35Å; E402-N482 CarbonylContact C-O 3.57Å; E402-N482 VanDerWaalsContact CA-O 3.28Å; E402-N482 WeakPolarHBondContact CA-O 3.3Å
403	Y	97.8	Very high	95	Very high	27 Å²	27	44.7 Å²	44.7	11%	0.106	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.5	-174.1	-53.1	-87.3	0	0	0	113.1	V373 S396 L397 K398 G401 I433 L434 V436 N482 G483 A484	V373-Y403 HydrophobicContact CG1-CD2 4.46Å; S396-Y403 WeakPolarHBondContact O-CE1 3.5Å; S396-Y403 VanDerWaalsContact O-CZ 3.28Å; S396-Y403 PolarHBondContact O-OH 2.99Å; L397-Y403 HydrophobicContact CB-CE2 4.47Å; L397-Y403 HydrophobicContact CD2-CD1 3.65Å; L397-Y403 HydrophobicContact CD2-CD2 4.19Å; L397-Y403 HydrophobicContact CD2-CE1 4.08Å; L397-Y403 HydrophobicContact CD2-CG 3.7Å; K398-Y403 PolarHBondContact N-OH 2.8Å; K398-Y403 WeakPolarHBondContact O-CE2 3.22Å; G401-Y403 VanDerWaalsContact O-CE2 3.31Å; G401-Y403 WeakPolarHBondContact O-CE2 3.33Å; Y403-I433 HydrophobicContact CD1-CG2 4.36Å; Y403-L434 WeakPolarHBondContact CA-O 3.04Å; Y403-V436 CarbonylContact C-O 3.54Å; Y403-N482 PolarHBondContact N-O 2.99Å; Y403-G483 CarbonylContact O-C 3.54Å; Y403-G483 WeakPolarHBondContact O-CA 3.44Å; Y403-A484 PolarHBondContact O-N 3.17Å
404	T	98.4	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.4	165.2	-54.1	0	0	0	0	109.8	L406 I433 L434 V436 K437 V438 A484	T404-L406 HydrophobicContact CG2-CD2 4.08Å; T404-I433 WeakPolarHBondContact O-CA 3.41Å; T404-L434 HydrophobicContact CG2-CD1 4.21Å; T404-L434 PolarHBondContact N-O 3.5Å; T404-L434 PolarHBondContact O-N 3.48Å; T404-V436 PolarHBondContact N-O 3.43Å; T404-V436 PolarHBondContact OG1-O 3.42Å; T404-K437 WeakPolarHBondContact OG1-CA 3.35Å; T404-V438 PolarHBondContact OG1-N 3.03Å; T404-A484 CarbonylContact C-O 3.58Å; T404-A484 VanDerWaalsContact CA-O 3.27Å; T404-A484 WeakPolarHBondContact CA-O 3.22Å; T404-A484 HydrophobicContact CG2-CB 4.35Å
405	L	98.4	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.7	175	-61.8	-178.5	0	0	0	109.6	V373 I374 F384 L397 A407 I433 A484 I485 H486	V373-L405 HydrophobicContact CB-CD1 4.48Å; V373-L405 HydrophobicContact CG1-CD1 4.18Å; V373-L405 HydrophobicContact CG1-CG 4.33Å; V373-L405 HydrophobicContact CG2-CB 4.47Å; V373-L405 HydrophobicContact CG2-CD1 3.9Å; V373-L405 HydrophobicContact CG2-CG 3.7Å; I374-L405 HydrophobicContact CB-CD1 4.47Å; F384-L405 HydrophobicContact CE1-CB 4.29Å; F384-L405 HydrophobicContact CE1-CD1 4.43Å; L397-L405 HydrophobicContact CD1-CD2 4.21Å; L397-L405 HydrophobicContact CD2-CD2 4.29Å; L405-A407 PolarHBondContact O-N 3.3Å; L405-I433 HydrophobicContact CD2-CB 4.34Å; L405-I433 HydrophobicContact CD2-CD1 4.2Å; L405-I433 HydrophobicContact CD2-CG1 3.74Å; L405-I433 HydrophobicContact CD2-CG2 4.08Å; L405-A484 PolarHBondContact N-O 2.88Å; L405-I485 HydrophobicContact CB-CB 4.33Å; L405-I485 HydrophobicContact CB-CD1 4.47Å; L405-I485 HydrophobicContact CB-CG1 4.03Å; L405-I485 WeakPolarHBondContact O-CA 3.31Å; L405-H486 PolarHBondContact O-N 3.28Å
406	L	98.3	Very high	94.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	80	171.9	-50.7	-178.5	0	0	0	107.3	T404 P408 H432 L434 L457 I468 H486 F488 I492	T404-L406 HydrophobicContact CG2-CD2 4.08Å; L406-P408 VanDerWaalsContact O-CD 3.3Å; L406-P408 WeakPolarHBondContact O-CD 3.14Å; L406-H432 HydrophobicContact CB-CB 4.45Å; L406-H432 PolarHBondContact N-O 2.77Å; L406-H432 WeakPolarHBondContact O-CB 3.28Å; L406-H432 PolarHBondContact O-CD2 2.88Å; L406-L434 HydrophobicContact CD1-CD2 4.18Å; L406-L434 HydrophobicContact CD1-CG 4.39Å; L406-L434 HydrophobicContact CD2-CD1 4.36Å; L406-L434 HydrophobicContact CG-CG 4.46Å; L406-L457 HydrophobicContact CD1-CD1 3.59Å; L406-I468 HydrophobicContact CD1-CD1 4.22Å; L406-I468 HydrophobicContact CD1-CG2 4.45Å; L406-I468 HydrophobicContact CD2-CD1 3.95Å; L406-H486 CarbonylContact C-O 3.23Å; L406-H486 HydrophobicContact CD2-CB 4.27Å; L406-F488 HydrophobicContact CB-CD2 3.95Å; L406-F488 HydrophobicContact CB-CE2 3.7Å; L406-F488 HydrophobicContact CD2-CE2 3.7Å; L406-F488 HydrophobicContact CD2-CZ 4.13Å; L406-F488 HydrophobicContact CG-CE2 4.23Å; L406-I492 HydrophobicContact CB-CD1 3.68Å; L406-I492 HydrophobicContact CD1-CD1 3.55Å; L406-I492 HydrophobicContact CG-CD1 4.23Å
407	A	98.1	Very high	94.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.5	-167.6	0	0	0	0	0	112.2	Q381 F384 L405 I485 H486 I487 F488	Q381-A407 HydrophobicContact CB-CB 4.4Å; Q381-A407 HydrophobicContact CG-CB 3.87Å; F384-A407 HydrophobicContact CD1-CB 3.49Å; F384-A407 VanDerWaalsContact CD1-CB 3.49Å; F384-A407 HydrophobicContact CE1-CB 3.65Å; F384-A407 HydrophobicContact CG-CB 4.1Å; F384-A407 HydrophobicContact CZ-CB 4.36Å; L405-A407 PolarHBondContact O-N 3.3Å; A407-I485 HydrophobicContact CB-CD1 3.74Å; A407-I485 HydrophobicContact CB-CG1 3.89Å; A407-H486 PolarHBondContact N-O 2.77Å; A407-I487 CarbonylContact O-C 3.55Å; A407-I487 VanDerWaalsContact O-CA 3.31Å; A407-I487 WeakPolarHBondContact O-CA 3.28Å; A407-F488 PolarHBondContact O-N 3.32Å
408	P	98	Very high	94.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	152.4	172.1	-17.1	33.3	0	0	0	111.3	F384 L406 A412 F413 F488 I491	F384-P408 VanDerWaalsContact CD2-CD 3.5Å; L406-P408 VanDerWaalsContact O-CD 3.3Å; L406-P408 WeakPolarHBondContact O-CD 3.14Å; P408-A412 HydrophobicContact CB-CB 3.67Å; P408-F413 HydrophobicContact CB-CE2 3.88Å; P408-F413 HydrophobicContact CB-CZ 4.09Å; P408-F413 HydrophobicContact CG-CE2 4.28Å; P408-F413 HydrophobicContact CG-CZ 3.97Å; P408-F488 CarbonylContact C-O 3.09Å; P408-F488 WeakPolarHBondContact CA-O 3.3Å; P408-I491 HydrophobicContact CB-CG1 4.33Å; P408-I491 HydrophobicContact CG-CG1 4.18Å
409	V	97.7	Very high	94.5	Very high	30 Å²	30	54.1 Å²	54.1	18%	0.182	31%	0.308	C	S	.	.			trans	-66.1	155.2	170.6	-66.1	0	0	0	0	111.3	Q380 N411 A412 V474 I487 F488	Q380-V409 CarbonylContact O-C 3.59Å; Q380-V409 VanDerWaalsContact O-CA 3.26Å; Q380-V409 WeakPolarHBondContact O-CA 3.36Å; V409-N411 PolarHBondContact O-N 3.38Å; V409-N411 VanDerWaalsContact O-N 3.13Å; V409-A412 HydrophobicContact CG2-CB 4.23Å; V409-A412 WeakPolarHBondContact O-CB 3.5Å; V409-A412 PolarHBondContact O-N 3.37Å; V409-V474 HydrophobicContact CG1-CG2 4.44Å; V409-I487 HydrophobicContact CG1-CG2 3.67Å; V409-F488 PolarHBondContact N-O 3.12Å
410	N	97.1	Very high	94.6	Very high	33 Å²	33	53.6 Å²	53.6	18%	0.176	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-51.4	-40.9	-179.7	-67.9	-14.5	0	0	0	112.8	K379 Q380 Q381 T382 T383 A412 F413	K379-N410 PolarHBondContact O-ND2 3.12Å; Q380-N410 VanDerWaalsContact C-OD1 3.26Å; Q380-N410 PolarHBondContact O-N 2.92Å; Q380-N410 PolarHBondContact O-OD1 3.1Å; Q380-N410 VanDerWaalsContact O-OD1 3.07Å; Q381-N410 PolarHBondContact N-OD1 3.31Å; T382-N410 PolarHBondContact N-OD1 3.32Å; T382-N410 VanDerWaalsContact N-OD1 3.11Å; T382-N410 PolarHBondContact OG1-ND2 3.25Å; T382-N410 VanDerWaalsContact OG1-ND2 3.09Å; T382-N410 PolarHBondContact OG1-OD1 2.79Å; T383-N410 PolarHBondContact N-OD1 3.4Å; T383-N410 PolarHBondContact OG1-OD1 3.13Å; N410-A412 PolarHBondContact O-N 3Å; N410-A412 VanDerWaalsContact O-N 3.16Å; N410-F413 PolarHBondContact O-N 3.24Å
411	N	96.1	Very high	94.8	Very high	150 Å²	150	51.4 Å²	51.4	80%	0.802	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-69.1	-9.6	179.7	-65.1	-2.5	0	0	0	114.1	V409 F413	V409-N411 PolarHBondContact O-N 3.38Å; V409-N411 VanDerWaalsContact O-N 3.13Å; N411-F413 VanDerWaalsContact C-N 3.27Å
412	A	95.8	Very high	94.7	Very high	22 Å²	22	57.3 Å²	57.3	18%	0.182	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-75.3	-17.7	174.5	0	0	0	0	0	112.5	P408 V409 N410 R489 I491	P408-A412 HydrophobicContact CB-CB 3.67Å; V409-A412 HydrophobicContact CG2-CB 4.23Å; V409-A412 WeakPolarHBondContact O-CB 3.5Å; V409-A412 PolarHBondContact O-N 3.37Å; N410-A412 PolarHBondContact O-N 3Å; N410-A412 VanDerWaalsContact O-N 3.16Å; A412-R489 WeakPolarHBondContact CB-O 3.36Å; A412-I491 HydrophobicContact CB-CG1 4.24Å; A412-I491 WeakPolarHBondContact O-CD1 3.34Å
413	F	95.6	Very high	94.6	Very high	15 Å²	15	62 Å²	62	7%	0.066	32%	0.324	C	S	.	.			trans	-95.5	103.2	178.8	-61.4	-87	0	0	0	109.9	T383 F384 L387 P408 N410 N411 T417 L418 L429 I491	T383-F413 HydrophobicContact CG2-CB 4Å; T383-F413 HydrophobicContact CG2-CD2 3.75Å; T383-F413 HydrophobicContact CG2-CE2 4.39Å; T383-F413 HydrophobicContact CG2-CG 3.84Å; F384-F413 HydrophobicContact CB-CE2 3.99Å; F384-F413 HydrophobicContact CB-CZ 4.01Å; F384-F413 HydrophobicContact CD2-CZ 4.11Å; L387-F413 HydrophobicContact CD1-CD1 3.85Å; L387-F413 HydrophobicContact CD1-CE1 3.78Å; L387-F413 HydrophobicContact CD1-CZ 4.44Å; P408-F413 HydrophobicContact CB-CE2 3.88Å; P408-F413 HydrophobicContact CB-CZ 4.09Å; P408-F413 HydrophobicContact CG-CE2 4.28Å; P408-F413 HydrophobicContact CG-CZ 3.97Å; N410-F413 PolarHBondContact O-N 3.24Å; N411-F413 VanDerWaalsContact C-N 3.27Å; F413-T417 HydrophobicContact CD1-CG2 4.4Å; F413-L418 HydrophobicContact CB-CD2 4.18Å; F413-L418 HydrophobicContact CB-CG 4.36Å; F413-L429 HydrophobicContact CE1-CD2 4.37Å; F413-I491 HydrophobicContact CD1-CD1 3.72Å; F413-I491 HydrophobicContact CD1-CG1 4.44Å; F413-I491 HydrophobicContact CE1-CD1 3.86Å; F413-I491 HydrophobicContact CE1-CG1 4.23Å; F413-I491 HydrophobicContact CG-CD1 4.36Å
414	S	94.1	Very high	94.3	Very high	56 Å²	56	65.3 Å²	65.3	39%	0.392	34%	0.343	S	S	.	.			trans	-78.7	162.5	173.3	65.2	0	0	0	0	112.2	D416 T417 L418	S414-D416 PolarHBondContact O-N 3Å; S414-T417 WeakPolarHBondContact O-CA 3.18Å; S414-T417 WeakPolarHBondContact O-CB 3.02Å; S414-T417 PolarHBondContact O-N 3.41Å; S414-T417 PolarHBondContact OG-N 3.14Å; S414-T417 PolarHBondContact OG-OG1 3.49Å; S414-L418 WeakPolarHBondContact O-CG 3.46Å; S414-L418 PolarHBondContact O-N 3.02Å
415	D	91.8	Very high	94.1	Very high	136 Å²	136	65.6 Å²	65.6	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-54.8	-41.3	173.4	-66.2	-22.2	0	0	0	111.7	T417 L418 S419	D415-T417 VanDerWaalsContact C-N 3.32Å; D415-T417 PolarHBondContact O-N 3.35Å; D415-L418 PolarHBondContact O-N 2.91Å; D415-S419 WeakPolarHBondContact O-CB 3.48Å; D415-S419 PolarHBondContact O-N 3.23Å; D415-S419 PolarHBondContact O-OG 2.87Å
416	D	89.4	Confident	94	Very high	126 Å²	126	69.1 Å²	69.1	67%	0.674	36%	0.36	S	S	*	.	H	α-helix	trans	-58.6	-44.3	175.2	-64.9	-25.3	0	0	0	111.5	S414 L418 S419 M420	S414-D416 PolarHBondContact O-N 3Å; D416-L418 PolarHBondContact O-N 3.47Å; D416-S419 PolarHBondContact O-N 3.4Å; D416-S419 PolarHBondContact O-OG 3.42Å; D416-M420 WeakPolarHBondContact O-CG 3.48Å; D416-M420 PolarHBondContact O-N 2.86Å
417	T	87.7	Confident	93.7	Very high	23 Å²	23	73.7 Å²	73.7	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-64.2	-41.8	178.5	-53.5	0	0	0	0	111.3	F413 S414 D415 S419 M420 L425 I491	F413-T417 HydrophobicContact CD1-CG2 4.4Å; S414-T417 WeakPolarHBondContact O-CA 3.18Å; S414-T417 WeakPolarHBondContact O-CB 3.02Å; S414-T417 PolarHBondContact O-N 3.41Å; S414-T417 PolarHBondContact OG-N 3.14Å; S414-T417 PolarHBondContact OG-OG1 3.49Å; D415-T417 VanDerWaalsContact C-N 3.32Å; D415-T417 PolarHBondContact O-N 3.35Å; T417-S419 VanDerWaalsContact C-N 3.29Å; T417-S419 PolarHBondContact O-N 3.26Å; T417-M420 HydrophobicContact CG2-SD 4.47Å; T417-M420 WeakPolarHBondContact O-CB 3.48Å; T417-M420 WeakPolarHBondContact O-CG 3.33Å; T417-M420 PolarHBondContact O-N 3.19Å; T417-L425 HydrophobicContact CG2-CD1 4.3Å; T417-I491 HydrophobicContact CG2-CD1 3.65Å
418	L	89.6	Confident	93.5	Very high	80 Å²	80	75 Å²	75	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-72.1	-24.6	-179.7	-64.6	174.6	0	0	0	112.5	T383 L387 F413 S414 D415 D416 M420	T383-L418 HydrophobicContact CG2-CD2 4.42Å; L387-L418 HydrophobicContact CD1-CD2 3.98Å; L387-L418 HydrophobicContact CD2-CD2 4.41Å; F413-L418 HydrophobicContact CB-CD2 4.18Å; F413-L418 HydrophobicContact CB-CG 4.36Å; S414-L418 WeakPolarHBondContact O-CG 3.46Å; S414-L418 PolarHBondContact O-N 3.02Å; D415-L418 PolarHBondContact O-N 2.91Å; D416-L418 PolarHBondContact O-N 3.47Å; L418-M420 VanDerWaalsContact C-N 3.33Å
419	S	91.1	Very high	93.4	Very high	94 Å²	94	75 Å²	75	66%	0.657	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.4	175.8	75.6	0	0	0	0	114.3	D415 D416 T417	D415-S419 WeakPolarHBondContact O-CB 3.48Å; D415-S419 PolarHBondContact O-N 3.23Å; D415-S419 PolarHBondContact O-OG 2.87Å; D416-S419 PolarHBondContact O-N 3.4Å; D416-S419 PolarHBondContact O-OG 3.42Å; T417-S419 VanDerWaalsContact C-N 3.29Å; T417-S419 PolarHBondContact O-N 3.26Å
420	M	91.3	Very high	93.3	Very high	73 Å²	73	75.9 Å²	75.9	36%	0.36	39%	0.393	S	S	.	.	S	Bend	trans	-62	156	178.2	-71.7	-177.7	56.4	0	0	112.3	D416 T417 L418 Q422 L424	D416-M420 WeakPolarHBondContact O-CG 3.48Å; D416-M420 PolarHBondContact O-N 2.86Å; T417-M420 HydrophobicContact CG2-SD 4.47Å; T417-M420 WeakPolarHBondContact O-CB 3.48Å; T417-M420 WeakPolarHBondContact O-CG 3.33Å; T417-M420 PolarHBondContact O-N 3.19Å; L418-M420 VanDerWaalsContact C-N 3.33Å; M420-Q422 PolarHBondContact O-N 2.88Å; M420-L424 HydrophobicContact CE-CB 3.97Å
421	D	94.1	Very high	93.3	Very high	93 Å²	93	75.1 Å²	75.1	50%	0.497	39%	0.389	S	S	.	.			trans	-53.8	130.6	171	179.1	-92.2	0	0	0	111	R423 L424 L425	D421-R423 PolarHBondContact O-N 3.28Å; D421-R423 VanDerWaalsContact O-N 3.13Å; D421-R423 WeakPolarHBondContact OD1-CA 3.48Å; D421-R423 WeakPolarHBondContact OD1-CB 3.4Å; D421-R423 WeakPolarHBondContact OD1-CG 3.47Å; D421-R423 PolarHBondContact OD1-N 3.45Å; D421-L424 HydrophobicContact CB-CB 4.48Å; D421-L424 HydrophobicContact CB-CD1 4.22Å; D421-L424 HydrophobicContact CB-CG 4.27Å; D421-L424 WeakPolarHBondContact O-CB 3.4Å; D421-L424 PolarHBondContact O-N 3.11Å; D421-L424 PolarHBondContact OD1-N 3.01Å; D421-L425 PolarHBondContact O-N 3.27Å
422	Q	92.6	Very high	93.4	Very high	142 Å²	142	68 Å²	68	66%	0.664	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-27.4	-174.1	-69	-176	-6.5	0	0	113.1	L391 M420 K426	L391-Q422 HydrophobicContact CD2-CB 4.08Å; L391-Q422 HydrophobicContact CD2-CG 4.42Å; M420-Q422 PolarHBondContact O-N 2.88Å; Q422-K426 VanDerWaalsContact O-CB 3.26Å; Q422-K426 WeakPolarHBondContact O-CB 3.28Å; Q422-K426 PolarHBondContact O-N 3.03Å
423	R	93	Very high	93.5	Very high	203 Å²	203	67 Å²	67	77%	0.766	34%	0.342	S	S	*	.	H	α-helix	trans	-71.9	-41	177	-53.6	174.4	62.6	143.3	-0.6	110.5	D421 K426 L427	D421-R423 PolarHBondContact O-N 3.28Å; D421-R423 VanDerWaalsContact O-N 3.13Å; D421-R423 WeakPolarHBondContact OD1-CA 3.48Å; D421-R423 WeakPolarHBondContact OD1-CB 3.4Å; D421-R423 WeakPolarHBondContact OD1-CG 3.47Å; D421-R423 PolarHBondContact OD1-N 3.45Å; R423-K426 PolarHBondContact O-N 2.95Å; R423-L427 WeakPolarHBondContact O-CG 3.33Å; R423-L427 PolarHBondContact O-N 3.08Å
424	L	93.1	Very high	93.6	Very high	96 Å²	96	66.5 Å²	66.5	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-43.3	174.7	-64.7	179	0	0	0	111	M420 D421 K426 L427 L428	M420-L424 HydrophobicContact CE-CB 3.97Å; D421-L424 HydrophobicContact CB-CB 4.48Å; D421-L424 HydrophobicContact CB-CD1 4.22Å; D421-L424 HydrophobicContact CB-CG 4.27Å; D421-L424 WeakPolarHBondContact O-CB 3.4Å; D421-L424 PolarHBondContact O-N 3.11Å; D421-L424 PolarHBondContact OD1-N 3.01Å; L424-K426 VanDerWaalsContact C-N 3.3Å; L424-K426 PolarHBondContact O-N 3.02Å; L424-L427 HydrophobicContact CD2-CD1 4.46Å; L424-L427 PolarHBondContact O-N 3.03Å; L424-L428 WeakPolarHBondContact O-CB 3.45Å; L424-L428 PolarHBondContact O-N 3.14Å
425	L	93.8	Very high	93.5	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-39.8	175.5	-172.5	60	0	0	0	111.4	L387 L391 T417 D421 L428 L429	L387-L425 HydrophobicContact CD1-CD2 4.47Å; L387-L425 HydrophobicContact CD2-CD2 4Å; L391-L425 HydrophobicContact CD1-CB 4.26Å; L391-L425 HydrophobicContact CD1-CD2 4.26Å; L391-L425 HydrophobicContact CD1-CG 4.01Å; T417-L425 HydrophobicContact CG2-CD1 4.3Å; D421-L425 PolarHBondContact O-N 3.27Å; L425-L428 HydrophobicContact CD1-CD2 4.37Å; L425-L428 WeakPolarHBondContact O-CB 3.36Å; L425-L428 PolarHBondContact O-N 3.17Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 3.42Å
426	K	94.9	Very high	93.7	Very high	73 Å²	73	66.3 Å²	66.3	32%	0.317	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-46.2	174.6	-176.2	171	-179.5	155.3	0	112.3	L391 L393 Q422 R423 L424 L428 L429 Q430	L391-K426 HydrophobicContact CB-CB 4.38Å; L391-K426 HydrophobicContact CB-CD 4.44Å; L391-K426 HydrophobicContact CB-CG 4.33Å; L391-K426 HydrophobicContact CD1-CB 3.98Å; L391-K426 WeakPolarHBondContact O-CE 3.47Å; L391-K426 PolarHBondContact O-NZ 3.46Å; L393-K426 HydrophobicContact CD1-CG 4.37Å; L393-K426 HydrophobicContact CD2-CG 4.18Å; L393-K426 HydrophobicContact CG-CG 4.35Å; Q422-K426 VanDerWaalsContact O-CB 3.26Å; Q422-K426 WeakPolarHBondContact O-CB 3.28Å; Q422-K426 PolarHBondContact O-N 3.03Å; R423-K426 PolarHBondContact O-N 2.95Å; L424-K426 VanDerWaalsContact C-N 3.3Å; L424-K426 PolarHBondContact O-N 3.02Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 3.32Å; K426-L429 PolarHBondContact O-N 3.34Å; K426-Q430 WeakPolarHBondContact O-CG 3.39Å; K426-Q430 PolarHBondContact O-N 3.22Å
427	L	93.1	Very high	94.1	Very high	97 Å²	97	63 Å²	63	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-39	175.7	-73.2	166.7	0	0	0	111.6	R423 L424 Q430 N431	R423-L427 WeakPolarHBondContact O-CG 3.33Å; R423-L427 PolarHBondContact O-N 3.08Å; L424-L427 HydrophobicContact CD2-CD1 4.46Å; L424-L427 PolarHBondContact O-N 3.03Å; L427-Q430 WeakPolarHBondContact O-CB 3.35Å; L427-Q430 PolarHBondContact O-N 3.28Å; L427-N431 PolarHBondContact O-N 3.48Å; L427-N431 PolarHBondContact O-ND2 3.47Å
428	L	94.1	Very high	94.6	Very high	28 Å²	28	62.6 Å²	62.6	15%	0.147	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-47.1	175.8	178.8	153	0	0	0	111.2	L424 L425 K426 Q430 N431 H432 I491	L424-L428 WeakPolarHBondContact O-CB 3.45Å; L424-L428 PolarHBondContact O-N 3.14Å; L425-L428 HydrophobicContact CD1-CD2 4.37Å; L425-L428 WeakPolarHBondContact O-CB 3.36Å; L425-L428 PolarHBondContact O-N 3.17Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 3.32Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; L428-Q430 PolarHBondContact O-N 3.37Å; L428-N431 WeakPolarHBondContact O-CB 3.34Å; L428-N431 PolarHBondContact O-N 3.27Å; L428-H432 PolarHBondContact O-CE1 3.44Å; L428-H432 PolarHBondContact O-ND1 3.49Å; L428-I491 HydrophobicContact CD1-CG2 3.92Å; L428-I491 HydrophobicContact CD2-CG2 3.62Å; L428-I491 HydrophobicContact CG-CG2 4.02Å
429	L	95.9	Very high	94.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-28.6	177.6	-66.6	-179.1	0	0	0	113.1	F384 L387 V388 L391 L393 F413 L425 K426 N431 H432	F384-L429 HydrophobicContact CD2-CD2 3.97Å; F384-L429 HydrophobicContact CE2-CD2 3.98Å; L387-L429 HydrophobicContact CB-CD1 3.57Å; V388-L429 HydrophobicContact CG2-CD1 4.36Å; L391-L429 HydrophobicContact CD1-CD1 3.75Å; L393-L429 HydrophobicContact CD1-CB 3.61Å; F413-L429 HydrophobicContact CE1-CD2 4.37Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 3.42Å; K426-L429 PolarHBondContact O-N 3.34Å; L429-N431 PolarHBondContact O-N 2.84Å; L429-H432 WeakPolarHBondContact O-CB 3.41Å; L429-H432 PolarHBondContact O-N 2.87Å
430	Q	95.9	Very high	95	Very high	47 Å²	47	58.1 Å²	58.1	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-27.5	170.6	-76.9	175.9	-27.5	0	0	112.4	L393 K426 L427 L428 H432 I452	L393-Q430 HydrophobicContact CD1-CG 4.22Å; L393-Q430 HydrophobicContact CD2-CG 3.69Å; K426-Q430 WeakPolarHBondContact O-CG 3.39Å; K426-Q430 PolarHBondContact O-N 3.22Å; L427-Q430 WeakPolarHBondContact O-CB 3.35Å; L427-Q430 PolarHBondContact O-N 3.28Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; L428-Q430 PolarHBondContact O-N 3.37Å; Q430-H432 PolarHBondContact O-N 3.17Å; Q430-I452 HydrophobicContact CB-CD1 4.26Å; Q430-I452 HydrophobicContact CB-CG1 3.89Å; Q430-I452 HydrophobicContact CG-CD1 3.95Å; Q430-I452 HydrophobicContact CG-CG1 4.06Å; Q430-I452 WeakPolarHBondContact O-CG1 3.39Å
431	N	95.7	Very high	95.1	Very high	18 Å²	18	59.4 Å²	59.4	10%	0.096	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.6	174.2	-58.5	-35.6	0	0	0	113.3	L427 L428 L429 T451 K455 P494	L427-N431 PolarHBondContact O-N 3.48Å; L427-N431 PolarHBondContact O-ND2 3.47Å; L428-N431 WeakPolarHBondContact O-CB 3.34Å; L428-N431 PolarHBondContact O-N 3.27Å; L429-N431 PolarHBondContact O-N 2.84Å; N431-T451 HydrophobicContact CB-CG2 4.31Å; N431-T451 VanDerWaalsContact O-CG2 3.32Å; N431-T451 WeakPolarHBondContact O-CG2 3.43Å; N431-K455 WeakPolarHBondContact OD1-CB 3.35Å; N431-K455 WeakPolarHBondContact OD1-CG 3.37Å; N431-P494 HydrophobicContact CB-CG 4.1Å
432	H	97.9	Very high	95.2	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.7	178.1	-65.2	71.4	0	0	0	112.4	F384 L406 L428 L429 Q430 I492	F384-H432 HydrophobicContact CE2-CB 3.72Å; F384-H432 HydrophobicContact CZ-CB 4.08Å; L406-H432 HydrophobicContact CB-CB 4.45Å; L406-H432 PolarHBondContact N-O 2.77Å; L406-H432 WeakPolarHBondContact O-CB 3.28Å; L406-H432 PolarHBondContact O-CD2 2.88Å; L428-H432 PolarHBondContact O-CE1 3.44Å; L428-H432 PolarHBondContact O-ND1 3.49Å; L429-H432 WeakPolarHBondContact O-CB 3.41Å; L429-H432 PolarHBondContact O-N 2.87Å; Q430-H432 PolarHBondContact O-N 3.17Å; H432-I492 PolarHBondContact CE1-O 2.9Å; H432-I492 PolarHBondContact NE2-N 2.87Å
433	I	98.1	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.8	179.5	-53	179.3	0	0	0	108.3	V388 L393 L397 Y403 T404 L405 T451 I452	V388-I433 HydrophobicContact CG1-CD1 4.35Å; L393-I433 HydrophobicContact CB-CD1 4.25Å; L393-I433 HydrophobicContact CD1-CD1 4.46Å; L397-I433 HydrophobicContact CD2-CD1 4.44Å; L397-I433 HydrophobicContact CD2-CG2 3.77Å; Y403-I433 HydrophobicContact CD1-CG2 4.36Å; T404-I433 WeakPolarHBondContact O-CA 3.41Å; L405-I433 HydrophobicContact CD2-CB 4.34Å; L405-I433 HydrophobicContact CD2-CD1 4.2Å; L405-I433 HydrophobicContact CD2-CG1 3.74Å; L405-I433 HydrophobicContact CD2-CG2 4.08Å; I433-T451 CarbonylContact O-C 3.55Å; I433-T451 VanDerWaalsContact O-CA 3.29Å; I433-T451 WeakPolarHBondContact O-CA 3.31Å; I433-I452 HydrophobicContact CB-CD1 3.79Å; I433-I452 HydrophobicContact CB-CG1 3.93Å; I433-I452 HydrophobicContact CB-CG2 4.18Å; I433-I452 HydrophobicContact CD1-CD1 3.88Å; I433-I452 HydrophobicContact CG1-CD1 4.29Å; I433-I452 HydrophobicContact CG2-CD1 4.04Å; I433-I452 HydrophobicContact CG2-CG1 4.36Å; I433-I452 HydrophobicContact CG2-CG2 3.77Å; I433-I452 PolarHBondContact O-N 2.92Å
434	L	97.5	Very high	95.4	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.4	174.2	-47.1	-177.8	0	0	0	110.2	Y403 T404 L406 V436 L449 E450 T451 L457	Y403-L434 WeakPolarHBondContact CA-O 3.04Å; T404-L434 HydrophobicContact CG2-CD1 4.21Å; T404-L434 PolarHBondContact N-O 3.5Å; T404-L434 PolarHBondContact O-N 3.48Å; L406-L434 HydrophobicContact CD1-CD2 4.18Å; L406-L434 HydrophobicContact CD1-CG 4.39Å; L406-L434 HydrophobicContact CD2-CD1 4.36Å; L406-L434 HydrophobicContact CG-CG 4.46Å; L434-V436 VanDerWaalsContact C-N 3.25Å; L434-V436 PolarHBondContact O-N 3.15Å; L434-L449 HydrophobicContact CD1-CB 4Å; L434-L449 HydrophobicContact CD1-CD1 3.86Å; L434-L449 HydrophobicContact CD1-CD2 4.33Å; L434-L449 HydrophobicContact CD1-CG 4.29Å; L434-L449 HydrophobicContact CD2-CB 4.16Å; L434-E450 WeakPolarHBondContact CD2-O 3.41Å; L434-T451 HydrophobicContact CD2-CG2 3.92Å; L434-L457 HydrophobicContact CD2-CD1 4.4Å
435	K	93.4	Very high	95.4	Very high	103 Å²	103	50.6 Å²	50.6	45%	0.448	26%	0.258	S	S	.	.	S	Bend	trans	-83.6	7	179.9	-60.9	172.6	-167.7	166.5	0	114.3	E402 E450 I452	E402-K435 CarbonylContact O-C 3.47Å; K435-E450 IonicContact NZ-OE1 2.89Å; K435-E450 PolarHBondContact NZ-OE1 2.73Å; K435-I452 HydrophobicContact CG-CB 4.47Å; K435-I452 HydrophobicContact CG-CG2 3.67Å
436	V	95.9	Very high	95.3	Very high	85 Å²	85	52.3 Å²	52.3	52%	0.515	28%	0.278	S	S	.	.	S	Bend	trans	-138.6	145.8	-175.7	-177.9	0	0	0	0	108.1	E402 Y403 T404 L434 V438	E402-V436 PolarHBondContact O-N 3.32Å; Y403-V436 CarbonylContact C-O 3.54Å; T404-V436 PolarHBondContact N-O 3.43Å; T404-V436 PolarHBondContact OG1-O 3.42Å; L434-V436 VanDerWaalsContact C-N 3.25Å; L434-V436 PolarHBondContact O-N 3.15Å; V436-V438 HydrophobicContact CG1-CG2 4.45Å; V436-V438 PolarHBondContact O-N 3.38Å
437	K	97.3	Very high	95.3	Very high	57 Å²	57	49.9 Å²	49.9	25%	0.248	27%	0.267	C	S	.	.			trans	-76.8	116.8	169.6	177.7	176.2	176.6	175.2	0	109.5	E402 T404 G480 A484	E402-K437 HydrophobicContact CB-CB 3.92Å; E402-K437 HydrophobicContact CG-CB 4.35Å; T404-K437 WeakPolarHBondContact OG1-CA 3.35Å; K437-G480 PolarHBondContact NZ-O 2.76Å; K437-A484 HydrophobicContact CG-CB 4.47Å
438	V	97.4	Very high	95.4	Very high	15 Å²	15	50 Å²	50	9%	0.091	27%	0.267	C	S	.	.			trans	-120.7	114.4	177.1	-176.8	0	0	0	0	106.9	T404 V436 D442 L443 L449 A484 H486	T404-V438 PolarHBondContact OG1-N 3.03Å; V436-V438 HydrophobicContact CG1-CG2 4.45Å; V436-V438 PolarHBondContact O-N 3.38Å; V438-D442 HydrophobicContact CG1-CB 4.21Å; V438-L443 HydrophobicContact CG1-CD2 3.68Å; V438-L443 HydrophobicContact CG1-CG 4.18Å; V438-L449 HydrophobicContact CG2-CD2 4.38Å; V438-A484 WeakPolarHBondContact O-CB 3.4Å; V438-H486 PolarHBondContact O-NE2 3.15Å; V438-H486 VanDerWaalsContact O-NE2 3.08Å
439	G	95.9	Very high	95.5	Very high	1 Å²	1	49 Å²	49	1%	0.01	26%	0.263	C	S	.	.			trans	-76.3	163.3	173.9	0	0	0	0	0	111.6	S441 D442	G439-S441 PolarHBondContact O-N 3.13Å; G439-D442 VanDerWaalsContact CA-OD2 3.31Å; G439-D442 WeakPolarHBondContact CA-OD2 3.45Å; G439-D442 PolarHBondContact N-OD2 3.23Å; G439-D442 PolarHBondContact O-N 3.15Å
440	L	94.6	Very high	95.5	Very high	79 Å²	79	54.2 Å²	54.2	41%	0.414	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-60	-35.4	176.7	179.4	60.7	0	0	0	112.4	D442 L443 I466 M473	L440-D442 PolarHBondContact O-N 3.46Å; L440-L443 HydrophobicContact CD1-CD1 4.31Å; L440-I466 HydrophobicContact CD1-CD1 3.74Å; L440-M473 HydrophobicContact CD1-CE 3.55Å; L440-M473 HydrophobicContact CD1-SD 4.14Å
441	S	93.6	Very high	95.5	Very high	99 Å²	99	52 Å²	52	69%	0.692	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-69	-18.8	177.5	48.8	0	0	0	0	113.9	G439	G439-S441 PolarHBondContact O-N 3.13Å
442	D	94.9	Very high	95.5	Very high	85 Å²	85	53 Å²	53	46%	0.455	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-93.9	-6.2	-171.8	-47.2	-30.3	0	0	0	111.4	V438 G439 L440	V438-D442 HydrophobicContact CG1-CB 4.21Å; G439-D442 VanDerWaalsContact CA-OD2 3.31Å; G439-D442 WeakPolarHBondContact CA-OD2 3.45Å; G439-D442 PolarHBondContact N-OD2 3.23Å; G439-D442 PolarHBondContact O-N 3.15Å; L440-D442 PolarHBondContact O-N 3.46Å
443	L	95.5	Very high	95.2	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.089	30%	0.297	C	S	.	.			trans	-78.5	128.3	177.5	-66.6	174.5	0	0	0	111.1	V438 L440 L449 V459 I466 M473	V438-L443 HydrophobicContact CG1-CD2 3.68Å; V438-L443 HydrophobicContact CG1-CG 4.18Å; L440-L443 HydrophobicContact CD1-CD1 4.31Å; L443-L449 HydrophobicContact CD2-CD1 4.21Å; L443-V459 HydrophobicContact CB-CG1 4.37Å; L443-V459 HydrophobicContact CD2-CG1 4.32Å; L443-V459 HydrophobicContact CD2-CG2 4.19Å; L443-I466 HydrophobicContact CD1-CG2 4.04Å; L443-M473 HydrophobicContact CD1-CE 4.49Å; L443-M473 HydrophobicContact CD1-SD 3.79Å
444	Y	95.1	Very high	94.9	Very high	140 Å²	140	56.9 Å²	56.9	55%	0.549	32%	0.322	S	S	.	.			trans	-133.1	156.7	176.7	63	-90.4	0	0	0	112.2	G446 Q447	Y444-G446 PolarHBondContact O-N 3.18Å; Y444-Q447 HydrophobicContact CD1-CB 4.12Å; Y444-Q447 HydrophobicContact CD1-CG 4.23Å; Y444-Q447 HydrophobicContact CD2-CB 3.91Å; Y444-Q447 HydrophobicContact CE1-CB 3.89Å; Y444-Q447 HydrophobicContact CE1-CG 3.68Å; Y444-Q447 HydrophobicContact CE2-CB 3.66Å; Y444-Q447 HydrophobicContact CE2-CG 4.23Å; Y444-Q447 HydrophobicContact CG-CB 4.12Å; Y444-Q447 WeakPolarHBondContact O-CB 3.35Å; Y444-Q447 PolarHBondContact O-N 2.72Å
445	N	93.7	Very high	94.7	Very high	107 Å²	107	60.7 Å²	60.7	57%	0.572	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	131.4	-177.2	-168.2	58.6	0	0	0	111.5	Q447 V461	N445-Q447 VanDerWaalsContact C-N 3.29Å; N445-V461 HydrophobicContact CB-CB 4.05Å; N445-V461 HydrophobicContact CB-CG2 4.39Å; N445-V461 PolarHBondContact OD1-N 3.18Å
446	G	90	Very high	94.8	Very high	42 Å²	42	62.3 Å²	62.3	43%	0.433	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	5.2	-178.1	0	0	0	0	0	114.2	Y444 V459	Y444-G446 PolarHBondContact O-N 3.18Å; G446-V459 PolarHBondContact N-O 2.83Å
447	Q	95.3	Very high	94.8	Very high	22 Å²	22	58.3 Å²	58.3	10%	0.103	32%	0.323	C	S	.	.			trans	-64.2	145.4	171.5	-174.4	178.7	20.8	0	0	110.8	Y444 N445 L449 V459	Y444-Q447 HydrophobicContact CD1-CB 4.12Å; Y444-Q447 HydrophobicContact CD1-CG 4.23Å; Y444-Q447 HydrophobicContact CD2-CB 3.91Å; Y444-Q447 HydrophobicContact CE1-CB 3.89Å; Y444-Q447 HydrophobicContact CE1-CG 3.68Å; Y444-Q447 HydrophobicContact CE2-CB 3.66Å; Y444-Q447 HydrophobicContact CE2-CG 4.23Å; Y444-Q447 HydrophobicContact CG-CB 4.12Å; Y444-Q447 WeakPolarHBondContact O-CB 3.35Å; Y444-Q447 PolarHBondContact O-N 2.72Å; N445-Q447 VanDerWaalsContact C-N 3.29Å; Q447-L449 HydrophobicContact CG-CD2 4Å; Q447-V459 HydrophobicContact CB-CB 3.98Å; Q447-V459 HydrophobicContact CB-CG2 3.92Å; Q447-V459 HydrophobicContact CG-CG2 4.34Å; Q447-V459 PolarHBondContact O-N 2.87Å
448	I	95.6	Very high	94.7	Very high	99 Å²	99	56.9 Å²	56.9	51%	0.508	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.6	175	-58.8	176.9	0	0	0	108.4	Q456 L457	I448-Q456 HydrophobicContact CG2-CB 3.67Å; I448-Q456 HydrophobicContact CG2-CG 3.88Å; I448-L457 CarbonylContact C-O 3.52Å; I448-L457 WeakPolarHBondContact CA-O 3.43Å
449	L	96.2	Very high	94.7	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.6	-178.4	-57.7	174.1	0	0	0	110.2	L434 V438 L443 Q447 Q456 L457 V459 I468	L434-L449 HydrophobicContact CD1-CB 4Å; L434-L449 HydrophobicContact CD1-CD1 3.86Å; L434-L449 HydrophobicContact CD1-CD2 4.33Å; L434-L449 HydrophobicContact CD1-CG 4.29Å; L434-L449 HydrophobicContact CD2-CB 4.16Å; V438-L449 HydrophobicContact CG2-CD2 4.38Å; L443-L449 HydrophobicContact CD2-CD1 4.21Å; Q447-L449 HydrophobicContact CG-CD2 4Å; L449-Q456 CarbonylContact O-C 3.59Å; L449-Q456 WeakPolarHBondContact O-CA 3.06Å; L449-L457 HydrophobicContact CB-CB 4.38Å; L449-L457 PolarHBondContact N-O 2.85Å; L449-L457 PolarHBondContact O-N 3.15Å; L449-V459 HydrophobicContact CD1-CG2 3.52Å; L449-V459 HydrophobicContact CD2-CG2 4.47Å; L449-V459 HydrophobicContact CG-CG2 3.75Å; L449-I468 HydrophobicContact CD1-CD1 3.73Å
450	E	96.4	Very high	94.7	Very high	108 Å²	108	56.6 Å²	56.6	51%	0.505	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.5	176.9	-166	-166.2	141	0	0	111.2	L434 K435	L434-E450 WeakPolarHBondContact CD2-O 3.41Å; K435-E450 IonicContact NZ-OE1 2.89Å; K435-E450 PolarHBondContact NZ-OE1 2.73Å
451	T	96.4	Very high	94.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-84.9	162.4	177.2	64.4	0	0	0	0	112	N431 I433 L434 G453 G454 K455 L457	N431-T451 HydrophobicContact CB-CG2 4.31Å; N431-T451 VanDerWaalsContact O-CG2 3.32Å; N431-T451 WeakPolarHBondContact O-CG2 3.43Å; I433-T451 CarbonylContact O-C 3.55Å; I433-T451 VanDerWaalsContact O-CA 3.29Å; I433-T451 WeakPolarHBondContact O-CA 3.31Å; L434-T451 HydrophobicContact CD2-CG2 3.92Å; T451-G453 PolarHBondContact O-N 3.2Å; T451-G453 PolarHBondContact OG1-N 2.02Å; T451-G454 PolarHBondContact O-N 2.88Å; T451-G454 PolarHBondContact OG1-N 3.25Å; T451-K455 HydrophobicContact CG2-CB 4.5Å; T451-K455 WeakPolarHBondContact CG2-O 3.48Å; T451-K455 PolarHBondContact N-O 2.8Å; T451-K455 WeakPolarHBondContact OG1-CA 3.25Å; T451-K455 WeakPolarHBondContact OG1-CB 3.22Å; T451-K455 PolarHBondContact OG1-N 3.34Å; T451-K455 PolarHBondContact OG1-O 3.03Å; T451-L457 HydrophobicContact CG2-CD1 3.57Å; T451-L457 HydrophobicContact CG2-CD2 4.21Å; T451-L457 HydrophobicContact CG2-CG 3.68Å
452	I	94.4	Very high	94.8	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.2	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24	171.6	65.8	170.6	0	0	0	112.3	L393 Q430 I433 K435 G454	L393-I452 HydrophobicContact CD2-CD1 4.34Å; Q430-I452 HydrophobicContact CB-CD1 4.26Å; Q430-I452 HydrophobicContact CB-CG1 3.89Å; Q430-I452 HydrophobicContact CG-CD1 3.95Å; Q430-I452 HydrophobicContact CG-CG1 4.06Å; Q430-I452 WeakPolarHBondContact O-CG1 3.39Å; I433-I452 HydrophobicContact CB-CD1 3.79Å; I433-I452 HydrophobicContact CB-CG1 3.93Å; I433-I452 HydrophobicContact CB-CG2 4.18Å; I433-I452 HydrophobicContact CD1-CD1 3.88Å; I433-I452 HydrophobicContact CG1-CD1 4.29Å; I433-I452 HydrophobicContact CG2-CD1 4.04Å; I433-I452 HydrophobicContact CG2-CG1 4.36Å; I433-I452 HydrophobicContact CG2-CG2 3.77Å; I433-I452 PolarHBondContact O-N 2.92Å; K435-I452 HydrophobicContact CG-CB 4.47Å; K435-I452 HydrophobicContact CG-CG2 3.67Å; I452-G454 PolarHBondContact O-N 3.47Å
453	G	91.2	Very high	94.6	Very high	33 Å²	33	59.5 Å²	59.5	34%	0.34	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.4	173.7	0	0	0	0	0	114.6	T451 K455	T451-G453 PolarHBondContact O-N 3.2Å; T451-G453 PolarHBondContact OG1-N 2.02Å; G453-K455 VanDerWaalsContact C-N 3.25Å; G453-K455 PolarHBondContact O-N 2.55Å
454	G	92.9	Very high	94.3	Very high	51 Å²	51	62.6 Å²	62.6	53%	0.526	32%	0.323	S	S	.	.	S	Bend	trans	75.6	9.2	-179.2	0	0	0	0	0	114.4	T451 I452	T451-G454 PolarHBondContact O-N 2.88Å; T451-G454 PolarHBondContact OG1-N 3.25Å; I452-G454 PolarHBondContact O-N 3.47Å
455	K	93.8	Very high	94.3	Very high	84 Å²	84	57 Å²	57	37%	0.365	31%	0.305	S	S	.	.			trans	-83.1	148	171.4	-61.5	-66.1	-172.4	163.8	0	110.6	N431 T451 G453 P494 E496	N431-K455 WeakPolarHBondContact OD1-CB 3.35Å; N431-K455 WeakPolarHBondContact OD1-CG 3.37Å; T451-K455 HydrophobicContact CG2-CB 4.5Å; T451-K455 WeakPolarHBondContact CG2-O 3.48Å; T451-K455 PolarHBondContact N-O 2.8Å; T451-K455 WeakPolarHBondContact OG1-CA 3.25Å; T451-K455 WeakPolarHBondContact OG1-CB 3.22Å; T451-K455 PolarHBondContact OG1-N 3.34Å; T451-K455 PolarHBondContact OG1-O 3.03Å; G453-K455 VanDerWaalsContact C-N 3.25Å; G453-K455 PolarHBondContact O-N 2.55Å; K455-P494 HydrophobicContact CB-CG 4.36Å; K455-P494 HydrophobicContact CG-CG 4.48Å; K455-E496 IonicContact NZ-OE1 2.68Å
456	Q	94.4	Very high	94.4	Very high	137 Å²	137	53.6 Å²	53.6	64%	0.64	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.8	173.1	-71	-178.4	-1.6	0	0	109.7	I448 L449	I448-Q456 HydrophobicContact CG2-CB 3.67Å; I448-Q456 HydrophobicContact CG2-CG 3.88Å; L449-Q456 CarbonylContact O-C 3.59Å; L449-Q456 WeakPolarHBondContact O-CA 3.06Å
457	L	96.5	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.6	177	-51.2	178.1	0	0	0	109.8	L406 L434 I448 L449 T451 I468 E469 I492 P494	L406-L457 HydrophobicContact CD1-CD1 3.59Å; L434-L457 HydrophobicContact CD2-CD1 4.4Å; I448-L457 CarbonylContact C-O 3.52Å; I448-L457 WeakPolarHBondContact CA-O 3.43Å; L449-L457 HydrophobicContact CB-CB 4.38Å; L449-L457 PolarHBondContact N-O 2.85Å; L449-L457 PolarHBondContact O-N 3.15Å; T451-L457 HydrophobicContact CG2-CD1 3.57Å; T451-L457 HydrophobicContact CG2-CD2 4.21Å; T451-L457 HydrophobicContact CG2-CG 3.68Å; L457-I468 HydrophobicContact CB-CG2 3.61Å; L457-I468 HydrophobicContact CD1-CG2 3.88Å; L457-I468 HydrophobicContact CG-CG2 4.35Å; L457-E469 HydrophobicContact CB-CG 4.19Å; L457-E469 HydrophobicContact CD2-CG 3.91Å; L457-I492 HydrophobicContact CD1-CG2 4.21Å; L457-I492 HydrophobicContact CD2-CG2 3.94Å; L457-P494 HydrophobicContact CD2-CB 4.1Å; L457-P494 HydrophobicContact CD2-CG 3.74Å
458	R	95.9	Very high	94.9	Very high	28 Å²	28	50.6 Å²	50.6	11%	0.106	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.5	177.5	-63.3	165.6	-65.7	175.1	0.9	111.1	F460 I468 E469 T616 T617	R458-F460 HydrophobicContact CB-CE1 3.82Å; R458-F460 HydrophobicContact CB-CE2 4.31Å; R458-F460 HydrophobicContact CB-CZ 3.59Å; R458-I468 WeakPolarHBondContact O-CA 3.07Å; R458-E469 WeakPolarHBondContact CB-OE1 3.34Å; R458-E469 IonicContact CZ-OE1 3.26Å; R458-E469 IonicContact CZ-OE2 3.69Å; R458-E469 PolarHBondContact N-OE1 3.02Å; R458-E469 IonicContact NE-OE1 3.55Å; R458-E469 PolarHBondContact NE-OE1 2.98Å; R458-E469 IonicContact NE-OE2 3.7Å; R458-E469 IonicContact NH2-OE1 3.45Å; R458-E469 IonicContact NH2-OE2 2.76Å; R458-E469 PolarHBondContact NH2-OE2 3.24Å; R458-E469 PolarHBondContact O-N 3.02Å; R458-T616 VanDerWaalsContact CZ-O 3.27Å; R458-T616 PolarHBondContact NH1-O 3.04Å; R458-T616 PolarHBondContact NH2-O 2.87Å; R458-T617 PolarHBondContact NH1-O 2.85Å
459	V	97.2	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.1	176.3	-175.3	0	0	0	0	110	L443 G446 Q447 L449 V461 I466 I468	L443-V459 HydrophobicContact CB-CG1 4.37Å; L443-V459 HydrophobicContact CD2-CG1 4.32Å; L443-V459 HydrophobicContact CD2-CG2 4.19Å; G446-V459 PolarHBondContact N-O 2.83Å; Q447-V459 HydrophobicContact CB-CB 3.98Å; Q447-V459 HydrophobicContact CB-CG2 3.92Å; Q447-V459 HydrophobicContact CG-CG2 4.34Å; Q447-V459 PolarHBondContact O-N 2.87Å; L449-V459 HydrophobicContact CD1-CG2 3.52Å; L449-V459 HydrophobicContact CD2-CG2 4.47Å; L449-V459 HydrophobicContact CG-CG2 3.75Å; V459-V461 HydrophobicContact CG1-CG2 4.03Å; V459-I466 HydrophobicContact CG1-CG2 4.22Å; V459-I468 HydrophobicContact CG2-CG1 4.38Å
460	F	95.8	Very high	94.8	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.1	175.3	-47.6	-59.2	0	0	0	109.1	R458 Y462 C467 V571 M615	R458-F460 HydrophobicContact CB-CE1 3.82Å; R458-F460 HydrophobicContact CB-CE2 4.31Å; R458-F460 HydrophobicContact CB-CZ 3.59Å; F460-Y462 HydrophobicContact CB-CE2 3.75Å; F460-C467 PolarHBondContact N-O 3.26Å; F460-C467 PolarHBondContact O-N 2.83Å; F460-V571 HydrophobicContact CD1-CB 4Å; F460-V571 HydrophobicContact CD1-CG1 4.28Å; F460-V571 HydrophobicContact CE1-CB 3.6Å; F460-V571 HydrophobicContact CE1-CG1 3.81Å; F460-V571 HydrophobicContact CE1-CG2 3.92Å; F460-V571 HydrophobicContact CE2-CG1 4.05Å; F460-V571 HydrophobicContact CZ-CB 4.01Å; F460-V571 HydrophobicContact CZ-CG1 3.68Å; F460-V571 HydrophobicContact CZ-CG2 4.28Å; F460-M615 HydrophobicContact CE2-CE 3.7Å; F460-M615 HydrophobicContact CZ-CE 4Å
461	V	95.6	Very high	94.7	Very high	52 Å²	52	41.3 Å²	41.3	32%	0.315	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.6	178.5	-179.1	0	0	0	0	108.7	N445 V459 I466	N445-V461 HydrophobicContact CB-CB 4.05Å; N445-V461 HydrophobicContact CB-CG2 4.39Å; N445-V461 PolarHBondContact OD1-N 3.18Å; V459-V461 HydrophobicContact CG1-CG2 4.03Å; V461-I466 HydrophobicContact CG1-CG1 4.27Å; V461-I466 HydrophobicContact CG2-CG1 4.41Å; V461-I466 HydrophobicContact CG2-CG2 4.36Å
462	Y	93.3	Very high	94.7	Very high	34 Å²	34	42.1 Å²	42.1	13%	0.133	22%	0.222	C	C	.	.			trans	-96.7	177.5	174	-56.7	-72.4	0	0	0	110.6	F460 T464 A465 C467 V571 Y572 I573	F460-Y462 HydrophobicContact CB-CE2 3.75Å; Y462-T464 VanDerWaalsContact C-N 3.28Å; Y462-T464 PolarHBondContact O-N 3.15Å; Y462-A465 WeakPolarHBondContact CA-O 3.45Å; Y462-A465 WeakPolarHBondContact CB-O 3.44Å; Y462-A465 HydrophobicContact CD2-CB 4.42Å; Y462-A465 PolarHBondContact N-O 3.45Å; Y462-C467 HydrophobicContact CE2-CB 4.29Å; Y462-V571 PolarHBondContact OH-O 3.32Å; Y462-Y572 HydrophobicContact CE1-CD1 4.12Å; Y462-I573 HydrophobicContact CE2-CD1 4.26Å; Y462-I573 HydrophobicContact CE2-CG1 3.72Å; Y462-I573 VanDerWaalsContact OH-CG1 3.27Å; Y462-I573 WeakPolarHBondContact OH-CG1 3.43Å; Y462-I573 PolarHBondContact OH-N 2.65Å; Y462-I573 VanDerWaalsContact OH-N 3.17Å
463	R	90.8	Very high	94.8	Very high	239 Å²	239	41.7 Å²	41.7	90%	0.902	22%	0.219	S	C	*	.	S	Bend	trans	-60.8	-36.8	-179.9	-166.3	-179.3	-158	-177.3	6	113.2
464	T	91	Very high	95	Very high	82 Å²	82	42.3 Å²	42.3	50%	0.503	22%	0.216	S	C	.	.	S	Bend	trans	-128.5	0.2	-171.6	54.8	0	0	0	0	113.4	Y462 E578	Y462-T464 VanDerWaalsContact C-N 3.28Å; Y462-T464 PolarHBondContact O-N 3.15Å; T464-E578 HydrophobicContact CG2-CB 4.5Å
465	A	94.1	Very high	95	Very high	21 Å²	21	51.4 Å²	51.4	17%	0.174	24%	0.235	C	C	.	.			trans	-144.3	148.3	-176.9	0	0	0	0	0	111	Y462	Y462-A465 WeakPolarHBondContact CA-O 3.45Å; Y462-A465 WeakPolarHBondContact CB-O 3.44Å; Y462-A465 HydrophobicContact CD2-CB 4.42Å; Y462-A465 PolarHBondContact N-O 3.45Å
466	I	96.6	Very high	95	Very high	37 Å²	37	49.2 Å²	49.2	19%	0.19	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129	168.1	-60.7	172.7	0	0	0	106.4	L440 L443 V459 V461 M473	L440-I466 HydrophobicContact CD1-CD1 3.74Å; L443-I466 HydrophobicContact CD1-CG2 4.04Å; V459-I466 HydrophobicContact CG1-CG2 4.22Å; V461-I466 HydrophobicContact CG1-CG1 4.27Å; V461-I466 HydrophobicContact CG2-CG1 4.41Å; V461-I466 HydrophobicContact CG2-CG2 4.36Å; I466-M473 HydrophobicContact CB-CG 4.46Å; I466-M473 HydrophobicContact CB-SD 3.92Å; I466-M473 HydrophobicContact CG2-CG 4.49Å; I466-M473 HydrophobicContact CG2-SD 3.69Å; I466-M473 WeakPolarHBondContact O-CB 3.33Å; I466-M473 WeakPolarHBondContact O-CG 3.43Å; I466-M473 PolarHBondContact O-N 2.61Å
467	C	96.7	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.6	-178.1	-47.9	0	0	0	0	110.3	F460 Y462 S471 C472 I573	F460-C467 PolarHBondContact N-O 3.26Å; F460-C467 PolarHBondContact O-N 2.83Å; Y462-C467 HydrophobicContact CE2-CB 4.29Å; C467-S471 CarbonylContact C-O 3.56Å; C467-S471 VanDerWaalsContact CA-O 3.31Å; C467-S471 WeakPolarHBondContact CA-O 3.31Å; C467-S471 WeakPolarHBondContact CB-O 3.46Å; C467-C472 HydrophobicContact CB-CB 3.99Å; C467-C472 WeakPolarHBondContact CB-SG 3.42Å; C467-C472 WeakPolarHBondContact SG-CB 3.43Å; C467-C472 CovalentContact SG-SG 2.05Å; C467-C472 PolarHBondContact SG-SG 3.2Å; C467-I573 HydrophobicContact CB-CD1 3.62Å
468	I	97.3	Very high	95.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.3	175.8	-58	-173.9	0	0	0	106.4	L406 L449 L457 R458 V459 N470 S471 F488 I492	L406-I468 HydrophobicContact CD1-CD1 4.22Å; L406-I468 HydrophobicContact CD1-CG2 4.45Å; L406-I468 HydrophobicContact CD2-CD1 3.95Å; L449-I468 HydrophobicContact CD1-CD1 3.73Å; L457-I468 HydrophobicContact CB-CG2 3.61Å; L457-I468 HydrophobicContact CD1-CG2 3.88Å; L457-I468 HydrophobicContact CG-CG2 4.35Å; R458-I468 WeakPolarHBondContact O-CA 3.07Å; V459-I468 HydrophobicContact CG2-CG1 4.38Å; I468-N470 PolarHBondContact O-N 3.34Å; I468-S471 PolarHBondContact N-O 2.97Å; I468-S471 PolarHBondContact O-N 2.93Å; I468-S471 VanDerWaalsContact O-N 3.12Å; I468-F488 HydrophobicContact CB-CE1 3.94Å; I468-F488 HydrophobicContact CB-CZ 4.14Å; I468-F488 HydrophobicContact CD1-CE1 4.21Å; I468-F488 HydrophobicContact CD1-CE2 4.48Å; I468-F488 HydrophobicContact CD1-CZ 3.54Å; I468-F488 HydrophobicContact CG1-CE1 3.97Å; I468-F488 HydrophobicContact CG1-CZ 3.82Å; I468-I492 HydrophobicContact CB-CD1 4.41Å; I468-I492 HydrophobicContact CG2-CD1 4.33Å
469	E	95.3	Very high	95.1	Very high	4 Å²	4	51 Å²	51	2%	0.019	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-122.9	-168.2	-66.7	-62.8	147.5	0	0	111.9	L457 R458 I492	L457-E469 HydrophobicContact CB-CG 4.19Å; L457-E469 HydrophobicContact CD2-CG 3.91Å; R458-E469 WeakPolarHBondContact CB-OE1 3.34Å; R458-E469 IonicContact CZ-OE1 3.26Å; R458-E469 IonicContact CZ-OE2 3.69Å; R458-E469 PolarHBondContact N-OE1 3.02Å; R458-E469 IonicContact NE-OE1 3.55Å; R458-E469 PolarHBondContact NE-OE1 2.98Å; R458-E469 IonicContact NE-OE2 3.7Å; R458-E469 IonicContact NH2-OE1 3.45Å; R458-E469 IonicContact NH2-OE2 2.76Å; R458-E469 PolarHBondContact NH2-OE2 3.24Å; R458-E469 PolarHBondContact O-N 3.02Å; E469-I492 HydrophobicContact CB-CG2 4.22Å; E469-I492 HydrophobicContact CG-CG2 4.49Å
470	N	94.4	Very high	95.1	Very high	18 Å²	18	51.2 Å²	51.2	10%	0.096	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.5	-178.3	66.8	-64.3	0	0	0	114.1	I468 I491 Q493 M615	I468-N470 PolarHBondContact O-N 3.34Å; N470-I491 PolarHBondContact ND2-O 3.11Å; N470-Q493 PolarHBondContact OD1-N 2.89Å; N470-Q493 PolarHBondContact OD1-O 2.74Å; N470-M615 HydrophobicContact CB-CG 3.73Å
471	S	95.8	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.9	-168.8	-167.6	0	0	0	0	111.5	C467 I468 F488 E490	C467-S471 CarbonylContact C-O 3.56Å; C467-S471 VanDerWaalsContact CA-O 3.31Å; C467-S471 WeakPolarHBondContact CA-O 3.31Å; C467-S471 WeakPolarHBondContact CB-O 3.46Å; I468-S471 PolarHBondContact N-O 2.97Å; I468-S471 PolarHBondContact O-N 2.93Å; I468-S471 VanDerWaalsContact O-N 3.12Å; S471-F488 WeakPolarHBondContact OG-CD1 3.33Å; S471-E490 WeakPolarHBondContact CB-O 3.23Å; S471-E490 VanDerWaalsContact OG-C 3.32Å; S471-E490 WeakPolarHBondContact OG-CA 3.43Å; S471-E490 PolarHBondContact OG-N 3.32Å; S471-E490 VanDerWaalsContact OG-N 3.1Å; S471-E490 PolarHBondContact OG-O 3.29Å
472	C	95.8	Very high	95.1	Very high	17 Å²	17	52.4 Å²	52.4	12%	0.115	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144.9	179.2	-62.4	0	0	0	0	112	C467 R489 I573	C467-C472 HydrophobicContact CB-CB 3.99Å; C467-C472 WeakPolarHBondContact CB-SG 3.42Å; C467-C472 WeakPolarHBondContact SG-CB 3.43Å; C467-C472 CovalentContact SG-SG 2.05Å; C467-C472 PolarHBondContact SG-SG 3.2Å; C472-R489 PolarHBondContact O-N 3.35Å; C472-R489 VanDerWaalsContact O-N 3.1Å; C472-I573 VanDerWaalsContact SG-CD1 3.56Å
473	M	96.5	Very high	95.3	Very high	29 Å²	29	50.8 Å²	50.8	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.6	177.7	-65.9	-178.1	64.3	0	0	111.2	L440 L443 I466 S477 H486 I487 F488	L440-M473 HydrophobicContact CD1-CE 3.55Å; L440-M473 HydrophobicContact CD1-SD 4.14Å; L443-M473 HydrophobicContact CD1-CE 4.49Å; L443-M473 HydrophobicContact CD1-SD 3.79Å; I466-M473 HydrophobicContact CB-CG 4.46Å; I466-M473 HydrophobicContact CB-SD 3.92Å; I466-M473 HydrophobicContact CG2-CG 4.49Å; I466-M473 HydrophobicContact CG2-SD 3.69Å; I466-M473 WeakPolarHBondContact O-CB 3.33Å; I466-M473 WeakPolarHBondContact O-CG 3.43Å; I466-M473 PolarHBondContact O-N 2.61Å; M473-S477 WeakPolarHBondContact CE-OG 3.42Å; M473-H486 HydrophobicContact CE-CB 3.65Å; M473-I487 CarbonylContact C-O 3.6Å; M473-I487 VanDerWaalsContact CA-O 3.3Å; M473-I487 WeakPolarHBondContact CA-O 3.43Å; M473-F488 HydrophobicContact CB-CE1 4.49Å; M473-F488 HydrophobicContact CG-CD1 4.23Å; M473-F488 HydrophobicContact CG-CE1 3.49Å; M473-F488 VanDerWaalsContact CG-CE1 3.49Å; M473-F488 HydrophobicContact CG-CE2 4.1Å; M473-F488 HydrophobicContact CG-CZ 3.39Å; M473-F488 HydrophobicContact SD-CZ 4.21Å
474	V	94.9	Very high	95.6	Very high	46 Å²	46	39.4 Å²	39.4	28%	0.279	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	163.6	166.8	-54.9	0	0	0	0	109.7	V409 I487 R489	V409-V474 HydrophobicContact CG1-CG2 4.44Å; V474-I487 HydrophobicContact CG2-CB 3.49Å; V474-I487 VanDerWaalsContact CG2-CB 3.49Å; V474-I487 HydrophobicContact CG2-CG2 3.26Å; V474-I487 PolarHBondContact N-O 2.99Å; V474-R489 HydrophobicContact CG1-CB 4.17Å
475	R	93.3	Very high	96	Very high	243 Å²	243	35.6 Å²	35.6	92%	0.917	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	148	176.8	-67.8	-175.2	179	177.2	-0.1	110.8
476	G	93	Very high	96.2	Very high	37 Å²	37	34.8 Å²	34.8	38%	0.381	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	115.3	20.6	177.2	0	0	0	0	0	114.6	K478 I487	G476-K478 PolarHBondContact O-N 3.19Å; G476-I487 VanDerWaalsContact O-CD1 3.3Å; G476-I487 WeakPolarHBondContact O-CD1 3.4Å
477	S	96.8	Very high	96.3	Very high	37 Å²	37	33.8 Å²	33.8	26%	0.259	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	137.1	165.6	-63.5	0	0	0	0	110.7	M473 I485 H486	M473-S477 WeakPolarHBondContact CE-OG 3.42Å; S477-I485 VanDerWaalsContact CA-O 3.23Å; S477-I485 WeakPolarHBondContact CA-O 3.49Å; S477-H486 PolarHBondContact OG-ND1 3.1Å; S477-H486 VanDerWaalsContact OG-ND1 3.07Å
478	K	96.9	Very high	96.3	Very high	72 Å²	72	33.8 Å²	33.8	31%	0.313	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.7	177.7	-63	169.2	173.2	-168.6	0	110.1	D368 L376 G476 A484 I485	D368-K478 WeakPolarHBondContact OD2-CD 3.36Å; L376-K478 HydrophobicContact CB-CB 4.42Å; L376-K478 HydrophobicContact CB-CD 4.43Å; L376-K478 HydrophobicContact CD2-CB 4.41Å; L376-K478 VanDerWaalsContact O-CD 3.3Å; L376-K478 WeakPolarHBondContact O-CD 3.46Å; L376-K478 PolarHBondContact O-NZ 3.43Å; L376-K478 VanDerWaalsContact O-NZ 3.11Å; G476-K478 PolarHBondContact O-N 3.19Å; K478-A484 WeakPolarHBondContact O-CA 3.4Å; K478-I485 HydrophobicContact CB-CG2 3.8Å; K478-I485 HydrophobicContact CD-CG2 4.48Å; K478-I485 PolarHBondContact N-O 3.45Å; K478-I485 PolarHBondContact O-N 3.37Å
479	Q	96.8	Very high	96.2	Very high	95 Å²	95	40.7 Å²	40.7	44%	0.444	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.9	172.9	-61.2	-167.2	29.5	0	0	109.2	D368 A484	D368-Q479 CarbonylContact C-O 3.55Å; Q479-A484 HydrophobicContact CG-CB 4.35Å
480	G	96.3	Very high	96.1	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	20%	0.202	C	C	.	.			trans	-124.5	-164.5	175.2	0	0	0	0	0	112.6	D368 L376 K437 N482 G483	D368-G480 WeakPolarHBondContact O-CA 3.26Å; L376-G480 VanDerWaalsContact CD1-N 3.34Å; K437-G480 PolarHBondContact NZ-O 2.76Å; G480-N482 PolarHBondContact O-N 3.37Å; G480-G483 PolarHBondContact N-O 3.44Å
481	R	95.9	Very high	96.2	Very high	80 Å²	80	42.9 Å²	42.9	30%	0.302	20%	0.2	S	C	.	.	S	Bend	trans	-62.4	-48.8	-168.4	-175.3	59.7	-161.8	137.8	1.3	112.1	D293 V295 S369 K371	D293-R481 IonicContact OD1-CZ 3.91Å; D293-R481 IonicContact OD1-NE 3.55Å; D293-R481 IonicContact OD1-NH2 3.61Å; D293-R481 PolarHBondContact OD1-NH2 2.83Å; D293-R481 IonicContact OD2-CZ 3.25Å; D293-R481 IonicContact OD2-NE 2.75Å; D293-R481 PolarHBondContact OD2-NE 2.83Å; D293-R481 IonicContact OD2-NH2 3.57Å; D293-R481 PolarHBondContact OD2-NH2 2.57Å; V295-R481 VanDerWaalsContact CG1-NH1 3.34Å; S369-R481 VanDerWaalsContact O-CA 3.31Å; S369-R481 WeakPolarHBondContact O-CA 3.48Å; S369-R481 VanDerWaalsContact O-CB 3.29Å; S369-R481 WeakPolarHBondContact O-CB 3.43Å; S369-R481 PolarHBondContact O-N 3.3Å; K371-R481 WeakPolarHBondContact O-CB 3.46Å; K371-R481 PolarHBondContact O-N 3Å
482	N	95.6	Very high	96.2	Very high	6 Å²	6	43 Å²	43	3%	0.032	20%	0.201	C	C	.	.	S	Bend	trans	-120	19.6	-174	78.9	-39.8	0	0	0	112.7	Q372 V373 K398 G401 E402 Y403 G480	Q372-N482 WeakPolarHBondContact CA-OD1 3.16Å; Q372-N482 PolarHBondContact OE1-ND2 3.08Å; Q372-N482 PolarHBondContact OE1-OD1 3.38Å; V373-N482 PolarHBondContact N-OD1 3.24Å; K398-N482 PolarHBondContact O-ND2 2.93Å; G401-N482 WeakPolarHBondContact O-CB 3.47Å; G401-N482 PolarHBondContact O-ND2 3.45Å; E402-N482 CarbonylContact C-O 3.57Å; E402-N482 VanDerWaalsContact CA-O 3.28Å; E402-N482 WeakPolarHBondContact CA-O 3.3Å; Y403-N482 PolarHBondContact N-O 2.99Å; G480-N482 PolarHBondContact O-N 3.37Å
483	G	97.1	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	-176.3	177.5	0	0	0	0	0	116	Y403 G480	Y403-G483 CarbonylContact O-C 3.54Å; Y403-G483 WeakPolarHBondContact O-CA 3.44Å; G480-G483 PolarHBondContact N-O 3.44Å
484	A	98.2	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.1	173.8	0	0	0	0	0	110.7	V373 Y403 T404 L405 K437 V438 K478 Q479	V373-A484 WeakPolarHBondContact CG2-O 3.39Å; Y403-A484 PolarHBondContact O-N 3.17Å; T404-A484 CarbonylContact C-O 3.58Å; T404-A484 VanDerWaalsContact CA-O 3.27Å; T404-A484 WeakPolarHBondContact CA-O 3.22Å; T404-A484 HydrophobicContact CG2-CB 4.35Å; L405-A484 PolarHBondContact N-O 2.88Å; K437-A484 HydrophobicContact CG-CB 4.47Å; V438-A484 WeakPolarHBondContact O-CB 3.4Å; K478-A484 WeakPolarHBondContact O-CA 3.4Å; Q479-A484 HydrophobicContact CG-CB 4.35Å
485	I	98.4	Very high	95.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.8	170.1	-173.7	169.5	0	0	0	109.2	L376 A377 L405 A407 S477 K478	L376-I485 HydrophobicContact CB-CB 4.34Å; L376-I485 HydrophobicContact CB-CG2 3.52Å; L376-I485 HydrophobicContact CD1-CG2 4.03Å; L376-I485 HydrophobicContact CG-CG2 4.44Å; A377-I485 HydrophobicContact CB-CD1 3.93Å; L405-I485 HydrophobicContact CB-CB 4.33Å; L405-I485 HydrophobicContact CB-CD1 4.47Å; L405-I485 HydrophobicContact CB-CG1 4.03Å; L405-I485 WeakPolarHBondContact O-CA 3.31Å; A407-I485 HydrophobicContact CB-CD1 3.74Å; A407-I485 HydrophobicContact CB-CG1 3.89Å; S477-I485 VanDerWaalsContact CA-O 3.23Å; S477-I485 WeakPolarHBondContact CA-O 3.49Å; K478-I485 HydrophobicContact CB-CG2 3.8Å; K478-I485 HydrophobicContact CD-CG2 4.48Å; K478-I485 PolarHBondContact N-O 3.45Å; K478-I485 PolarHBondContact O-N 3.37Å
486	H	98.3	Very high	95.6	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.8	175.9	-68.2	-30.6	0	0	0	108.1	L405 L406 A407 V438 M473 S477 F488	L405-H486 PolarHBondContact O-N 3.28Å; L406-H486 CarbonylContact C-O 3.23Å; L406-H486 HydrophobicContact CD2-CB 4.27Å; A407-H486 PolarHBondContact N-O 2.77Å; V438-H486 PolarHBondContact O-NE2 3.15Å; V438-H486 VanDerWaalsContact O-NE2 3.08Å; M473-H486 HydrophobicContact CE-CB 3.65Å; S477-H486 PolarHBondContact OG-ND1 3.1Å; S477-H486 VanDerWaalsContact OG-ND1 3.07Å; H486-F488 HydrophobicContact CB-CD2 4.37Å; H486-F488 HydrophobicContact CB-CE2 3.6Å; H486-F488 HydrophobicContact CB-CZ 4.35Å; H486-F488 WeakPolarHBondContact O-CD2 3.4Å
487	I	98.2	Very high	95.7	Very high	16 Å²	16	44.4 Å²	44.4	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.1	-175.6	-50.5	173.1	0	0	0	108.8	Q381 A407 V409 M473 V474 G476	Q381-I487 HydrophobicContact CG-CG2 4.48Å; A407-I487 CarbonylContact O-C 3.55Å; A407-I487 VanDerWaalsContact O-CA 3.31Å; A407-I487 WeakPolarHBondContact O-CA 3.28Å; V409-I487 HydrophobicContact CG1-CG2 3.67Å; M473-I487 CarbonylContact C-O 3.6Å; M473-I487 VanDerWaalsContact CA-O 3.3Å; M473-I487 WeakPolarHBondContact CA-O 3.43Å; V474-I487 HydrophobicContact CG2-CB 3.49Å; V474-I487 VanDerWaalsContact CG2-CB 3.49Å; V474-I487 HydrophobicContact CG2-CG2 3.26Å; V474-I487 PolarHBondContact N-O 2.99Å; G476-I487 VanDerWaalsContact O-CD1 3.3Å; G476-I487 WeakPolarHBondContact O-CD1 3.4Å
488	F	97.3	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.5	-177.3	-77.4	-90.5	0	0	0	112.3	L406 A407 P408 V409 I468 S471 M473 H486 I492	L406-F488 HydrophobicContact CB-CD2 3.95Å; L406-F488 HydrophobicContact CB-CE2 3.7Å; L406-F488 HydrophobicContact CD2-CE2 3.7Å; L406-F488 HydrophobicContact CD2-CZ 4.13Å; L406-F488 HydrophobicContact CG-CE2 4.23Å; A407-F488 PolarHBondContact O-N 3.32Å; P408-F488 CarbonylContact C-O 3.09Å; P408-F488 WeakPolarHBondContact CA-O 3.3Å; V409-F488 PolarHBondContact N-O 3.12Å; I468-F488 HydrophobicContact CB-CE1 3.94Å; I468-F488 HydrophobicContact CB-CZ 4.14Å; I468-F488 HydrophobicContact CD1-CE1 4.21Å; I468-F488 HydrophobicContact CD1-CE2 4.48Å; I468-F488 HydrophobicContact CD1-CZ 3.54Å; I468-F488 HydrophobicContact CG1-CE1 3.97Å; I468-F488 HydrophobicContact CG1-CZ 3.82Å; S471-F488 WeakPolarHBondContact OG-CD1 3.33Å; M473-F488 HydrophobicContact CB-CE1 4.49Å; M473-F488 HydrophobicContact CG-CD1 4.23Å; M473-F488 HydrophobicContact CG-CE1 3.49Å; M473-F488 VanDerWaalsContact CG-CE1 3.49Å; M473-F488 HydrophobicContact CG-CE2 4.1Å; M473-F488 HydrophobicContact CG-CZ 3.39Å; M473-F488 HydrophobicContact SD-CZ 4.21Å; H486-F488 HydrophobicContact CB-CD2 4.37Å; H486-F488 HydrophobicContact CB-CE2 3.6Å; H486-F488 HydrophobicContact CB-CZ 4.35Å; H486-F488 WeakPolarHBondContact O-CD2 3.4Å; F488-I492 HydrophobicContact CD1-CD1 4.3Å; F488-I492 HydrophobicContact CD2-CD1 4.46Å; F488-I492 HydrophobicContact CE1-CD1 4.29Å; F488-I492 HydrophobicContact CE2-CD1 4.45Å; F488-I492 HydrophobicContact CG-CD1 4.39Å; F488-I492 HydrophobicContact CZ-CD1 4.39Å
489	R	94.5	Very high	95.6	Very high	146 Å²	146	39.5 Å²	39.5	55%	0.551	18%	0.183	S	C	*	.	S	Bend	trans	-71.5	-34.1	177.2	-176.6	179.9	-84.1	-113.5	-0.7	112.2	A412 C472 V474 E600	A412-R489 WeakPolarHBondContact CB-O 3.36Å; C472-R489 PolarHBondContact O-N 3.35Å; C472-R489 VanDerWaalsContact O-N 3.1Å; V474-R489 HydrophobicContact CG1-CB 4.17Å; R489-E600 IonicContact NH1-OE1 2.91Å
490	E	94.7	Very high	95.5	Very high	55 Å²	55	35.5 Å²	35.5	26%	0.257	16%	0.164	S	C	.	.	S	Bend	trans	-131.7	163	-173.7	-69.6	170.4	-156.7	0	0	111.4	S471 K575	S471-E490 WeakPolarHBondContact CB-O 3.23Å; S471-E490 VanDerWaalsContact OG-C 3.32Å; S471-E490 WeakPolarHBondContact OG-CA 3.43Å; S471-E490 PolarHBondContact OG-N 3.32Å; S471-E490 VanDerWaalsContact OG-N 3.1Å; S471-E490 PolarHBondContact OG-O 3.29Å; E490-K575 WeakPolarHBondContact OE1-CE 3.38Å; E490-K575 IonicContact OE1-NZ 2.72Å; E490-K575 PolarHBondContact OE1-NZ 2.91Å; E490-K575 IonicContact OE2-NZ 2.71Å; E490-K575 PolarHBondContact OE2-NZ 3.38Å
491	I	96.2	Very high	95.4	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.067	18%	0.18	C	C	.	.			trans	-67.8	131.3	170.2	-64.5	176.8	0	0	0	109.2	P408 A412 F413 T417 L428 N470 Q493	P408-I491 HydrophobicContact CB-CG1 4.33Å; P408-I491 HydrophobicContact CG-CG1 4.18Å; A412-I491 HydrophobicContact CB-CG1 4.24Å; A412-I491 WeakPolarHBondContact O-CD1 3.34Å; F413-I491 HydrophobicContact CD1-CD1 3.72Å; F413-I491 HydrophobicContact CD1-CG1 4.44Å; F413-I491 HydrophobicContact CE1-CD1 3.86Å; F413-I491 HydrophobicContact CE1-CG1 4.23Å; F413-I491 HydrophobicContact CG-CD1 4.36Å; T417-I491 HydrophobicContact CG2-CD1 3.65Å; L428-I491 HydrophobicContact CD1-CG2 3.92Å; L428-I491 HydrophobicContact CD2-CG2 3.62Å; L428-I491 HydrophobicContact CG-CG2 4.02Å; N470-I491 PolarHBondContact ND2-O 3.11Å; I491-Q493 PolarHBondContact O-N 3.35Å
492	I	95.6	Very high	95.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.182	C	C	.	.			trans	-73.8	125.7	176.9	-64.8	172.5	0	0	0	109.1	L406 H432 L457 I468 E469 F488	L406-I492 HydrophobicContact CB-CD1 3.68Å; L406-I492 HydrophobicContact CD1-CD1 3.55Å; L406-I492 HydrophobicContact CG-CD1 4.23Å; H432-I492 PolarHBondContact CE1-O 2.9Å; H432-I492 PolarHBondContact NE2-N 2.87Å; L457-I492 HydrophobicContact CD1-CG2 4.21Å; L457-I492 HydrophobicContact CD2-CG2 3.94Å; I468-I492 HydrophobicContact CB-CD1 4.41Å; I468-I492 HydrophobicContact CG2-CD1 4.33Å; E469-I492 HydrophobicContact CB-CG2 4.22Å; E469-I492 HydrophobicContact CG-CG2 4.49Å; F488-I492 HydrophobicContact CD1-CD1 4.3Å; F488-I492 HydrophobicContact CD2-CD1 4.46Å; F488-I492 HydrophobicContact CE1-CD1 4.29Å; F488-I492 HydrophobicContact CE2-CD1 4.45Å; F488-I492 HydrophobicContact CG-CD1 4.39Å; F488-I492 HydrophobicContact CZ-CD1 4.39Å
493	Q	90.9	Very high	95.4	Very high	123 Å²	123	38.4 Å²	38.4	58%	0.575	18%	0.181	S	C	*	.			trans	-121.4	100.6	177.9	-66.2	-175.8	-4	0	0	108.5	N470 I491 A495	N470-Q493 PolarHBondContact OD1-N 2.89Å; N470-Q493 PolarHBondContact OD1-O 2.74Å; I491-Q493 PolarHBondContact O-N 3.35Å; Q493-A495 PolarHBondContact O-N 3.47Å
494	P	92.7	Very high	95.3	Very high	26 Å²	26	46.9 Å²	46.9	17%	0.169	21%	0.212	C	C	.	.			trans	-60.1	134.8	176.9	-18.7	29.8	0	0	0	110.6	N431 K455 L457	N431-P494 HydrophobicContact CB-CG 4.1Å; K455-P494 HydrophobicContact CB-CG 4.36Å; K455-P494 HydrophobicContact CG-CG 4.48Å; L457-P494 HydrophobicContact CD2-CB 4.1Å; L457-P494 HydrophobicContact CD2-CG 3.74Å
495	A	93.5	Very high	95.2	Very high	23 Å²	23	52.6 Å²	52.6	19%	0.19	24%	0.239	C	C	.	.			trans	-69.3	136	176.8	0	0	0	0	0	111.6	Q493 M615 T616 T617	Q493-A495 PolarHBondContact O-N 3.47Å; A495-M615 HydrophobicContact CB-CB 4.12Å; A495-T616 WeakPolarHBondContact CB-O 3.26Å; A495-T617 HydrophobicContact CB-CG2 4.47Å; A495-T617 WeakPolarHBondContact O-CG2 3.09Å
496	E	91.6	Very high	95.1	Very high	148 Å²	148	54.6 Å²	54.6	69%	0.692	25%	0.25	S	C	*	.			trans	-112	-15.7	-177.9	-58.7	-167.9	145.9	0	0	114.1	K455	K455-E496 IonicContact NZ-OE1 2.68Å
497	K	94.6	Very high	94.9	Very high	82 Å²	82	63 Å²	63	36%	0.357	29%	0.287	S	S	.	.	S	Bend	trans	-124.5	146.9	-173.3	-61.3	-169.9	-176.4	-170	0	111.1	D501 Q505 T616 T617	K497-D501 HydrophobicContact CB-CB 4.12Å; K497-Q505 VanDerWaalsContact NZ-CD 3.33Å; K497-T616 CarbonylContact O-C 3.4Å; K497-T616 WeakPolarHBondContact O-CA 3.34Å; K497-T616 WeakPolarHBondContact O-CB 3.28Å; K497-T617 PolarHBondContact O-N 3.25Å; K497-T617 PolarHBondContact O-OG1 3.5Å
498	S	95.3	Very high	94.8	Very high	7 Å²	7	66.6 Å²	66.6	5%	0.049	30%	0.299	C	S	.	.			trans	-70.7	167.4	173.1	69.7	0	0	0	0	111.9	H500 D501 K502 T617 N618	S498-H500 VanDerWaalsContact C-N 3.29Å; S498-H500 PolarHBondContact O-N 2.89Å; S498-D501 PolarHBondContact O-N 3.04Å; S498-D501 PolarHBondContact OG-N 3.43Å; S498-D501 VanDerWaalsContact OG-N 3.13Å; S498-D501 PolarHBondContact OG-OD2 2.92Å; S498-K502 WeakPolarHBondContact O-CB 3.49Å; S498-K502 PolarHBondContact O-N 3.04Å; S498-T617 WeakPolarHBondContact CA-OG1 3.49Å; S498-T617 PolarHBondContact N-OG1 2.91Å; S498-N618 WeakPolarHBondContact CA-OD1 3.36Å
499	L	95.4	Very high	94.7	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-51.9	-49.7	170.8	-71.9	169.5	0	0	0	111.1	D501 K502 L503 L525 W531 L533 T616 N618 I621	L499-D501 PolarHBondContact O-N 3.29Å; L499-K502 PolarHBondContact O-N 3.35Å; L499-L503 WeakPolarHBondContact O-CG 3.29Å; L499-L503 PolarHBondContact O-N 3.27Å; L499-L525 HydrophobicContact CB-CB 4.21Å; L499-L525 HydrophobicContact CB-CD2 4.01Å; L499-L525 HydrophobicContact CD1-CD2 3.74Å; L499-L525 HydrophobicContact CG-CD2 4.5Å; L499-W531 HydrophobicContact CD1-CB 3.81Å; L499-W531 HydrophobicContact CD1-CG 4.38Å; L499-L533 HydrophobicContact CD2-CB 4.16Å; L499-L533 HydrophobicContact CD2-CD2 4.41Å; L499-T616 HydrophobicContact CD2-CG2 3.91Å; L499-T616 VanDerWaalsContact CD2-OG1 3.29Å; L499-T616 WeakPolarHBondContact CD2-OG1 3.4Å; L499-T616 HydrophobicContact CG-CG2 4.46Å; L499-T616 WeakPolarHBondContact CG-OG1 3.45Å; L499-N618 WeakPolarHBondContact CG-OD1 3.43Å; L499-N618 PolarHBondContact N-OD1 3.25Å; L499-I621 HydrophobicContact CD2-CD1 3.87Å; L499-I621 HydrophobicContact CD2-CG1 3.37Å
500	H	95.1	Very high	94.7	Very high	11 Å²	11	62.9 Å²	62.9	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-47.6	179.7	176.1	-89.8	0	0	0	112.2	S498 K502 L503 R504 E517 L525	S498-H500 VanDerWaalsContact C-N 3.29Å; S498-H500 PolarHBondContact O-N 2.89Å; H500-K502 VanDerWaalsContact C-N 3.31Å; H500-K502 PolarHBondContact O-N 2.86Å; H500-L503 PolarHBondContact O-N 3.39Å; H500-R504 WeakPolarHBondContact O-CB 3.47Å; H500-R504 PolarHBondContact O-N 3.07Å; H500-E517 IonicContact NE2-OE1 3.44Å; H500-L525 HydrophobicContact CB-CB 4Å; H500-L525 PolarHBondContact N-O 2.92Å
501	D	94.9	Very high	94.7	Very high	70 Å²	70	61.5 Å²	61.5	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-35.3	-178.3	-62.4	-40.3	0	0	0	112.4	K497 S498 L499 R504 Q505	K497-D501 HydrophobicContact CB-CB 4.12Å; S498-D501 PolarHBondContact O-N 3.04Å; S498-D501 PolarHBondContact OG-N 3.43Å; S498-D501 VanDerWaalsContact OG-N 3.13Å; S498-D501 PolarHBondContact OG-OD2 2.92Å; L499-D501 PolarHBondContact O-N 3.29Å; D501-R504 PolarHBondContact O-N 3.03Å; D501-Q505 WeakPolarHBondContact O-CB 3.15Å; D501-Q505 PolarHBondContact O-N 2.9Å; D501-Q505 VanDerWaalsContact O-N 3.08Å
502	K	95.6	Very high	94.6	Very high	79 Å²	79	60.9 Å²	60.9	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-43.3	177.1	-163.7	68.6	177	-174.9	0	111.5	S498 L499 H500 Q505 D506 I614 T616 I621	S498-K502 WeakPolarHBondContact O-CB 3.49Å; S498-K502 PolarHBondContact O-N 3.04Å; L499-K502 PolarHBondContact O-N 3.35Å; H500-K502 VanDerWaalsContact C-N 3.31Å; H500-K502 PolarHBondContact O-N 2.86Å; K502-Q505 PolarHBondContact O-N 3.31Å; K502-D506 PolarHBondContact O-N 2.88Å; K502-I614 HydrophobicContact CD-CG2 4.36Å; K502-I614 HydrophobicContact CG-CG2 4.08Å; K502-T616 HydrophobicContact CB-CG2 4.03Å; K502-T616 HydrophobicContact CG-CG2 4.31Å; K502-I621 HydrophobicContact CB-CD1 3.96Å; K502-I621 HydrophobicContact CG-CD1 4.03Å
503	L	95.5	Very high	94.5	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-41.1	174.8	-66.9	173.2	0	0	0	112	L499 H500 Q505 D506 F509 L513 L516 L525 L533 A535 I621	L499-L503 WeakPolarHBondContact O-CG 3.29Å; L499-L503 PolarHBondContact O-N 3.27Å; H500-L503 PolarHBondContact O-N 3.39Å; L503-Q505 VanDerWaalsContact C-N 3.34Å; L503-Q505 PolarHBondContact O-N 2.77Å; L503-D506 PolarHBondContact O-N 3.04Å; L503-D506 VanDerWaalsContact O-O 3.07Å; L503-F509 HydrophobicContact CB-CB 4.45Å; L503-F509 HydrophobicContact CD2-CB 3.92Å; L503-F509 HydrophobicContact CD2-CD1 4.27Å; L503-F509 HydrophobicContact CD2-CD2 3.77Å; L503-F509 HydrophobicContact CD2-CE2 4.39Å; L503-F509 HydrophobicContact CD2-CG 3.71Å; L503-L513 HydrophobicContact CB-CD1 4.31Å; L503-L513 HydrophobicContact CD1-CD1 4.49Å; L503-L516 HydrophobicContact CD1-CD1 3.81Å; L503-L525 HydrophobicContact CD1-CD1 4.07Å; L503-L533 HydrophobicContact CD1-CD2 3.75Å; L503-L533 HydrophobicContact CD2-CD2 4.35Å; L503-L533 HydrophobicContact CG-CD2 4.39Å; L503-A535 HydrophobicContact CD2-CB 3.9Å; L503-I621 HydrophobicContact CD2-CD1 4.14Å; L503-I621 HydrophobicContact CG-CD1 4.25Å
504	R	95.4	Very high	94.6	Very high	178 Å²	178	58.3 Å²	58.3	67%	0.672	28%	0.28	S	S	*	.	H	α-helix	trans	-66	-35.4	-179.7	-173.5	179.3	-177.8	-173.8	3	112.9	H500 D501 L513	H500-R504 WeakPolarHBondContact O-CB 3.47Å; H500-R504 PolarHBondContact O-N 3.07Å; D501-R504 PolarHBondContact O-N 3.03Å; R504-L513 HydrophobicContact CB-CD2 3.98Å; R504-L513 HydrophobicContact CG-CD2 4.34Å
505	Q	95.7	Very high	94.5	Very high	120 Å²	120	57.1 Å²	57.1	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-69.8	-34.3	-179.8	-173.5	-179.6	5.2	0	0	112.3	K497 D501 K502 L503	K497-Q505 VanDerWaalsContact NZ-CD 3.33Å; D501-Q505 WeakPolarHBondContact O-CB 3.15Å; D501-Q505 PolarHBondContact O-N 2.9Å; D501-Q505 VanDerWaalsContact O-N 3.08Å; K502-Q505 PolarHBondContact O-N 3.31Å; L503-Q505 VanDerWaalsContact C-N 3.34Å; L503-Q505 PolarHBondContact O-N 2.77Å
506	D	95.1	Very high	94.4	Very high	44 Å²	44	56.2 Å²	56.2	24%	0.235	26%	0.264	C	S	.	.			trans	-96.6	111	-176.7	-174	-16.2	0	0	0	111.2	K502 L503 R508 F509	K502-D506 PolarHBondContact O-N 2.88Å; L503-D506 PolarHBondContact O-N 3.04Å; L503-D506 VanDerWaalsContact O-O 3.07Å; D506-R508 PolarHBondContact O-N 3.28Å; D506-R508 VanDerWaalsContact OD1-CB 3.22Å; D506-R508 WeakPolarHBondContact OD1-CB 3.48Å; D506-R508 WeakPolarHBondContact OD1-CG 3.43Å; D506-R508 PolarHBondContact OD1-N 2.9Å; D506-R508 IonicContact OD1-NE 3.29Å; D506-R508 PolarHBondContact OD1-NE 2.62Å; D506-R508 IonicContact OD2-CZ 2.82Å; D506-R508 VanDerWaalsContact OD2-CZ 3.23Å; D506-R508 IonicContact OD2-NE 3.17Å; D506-R508 PolarHBondContact OD2-NE 3.34Å; D506-R508 IonicContact OD2-NH2 3.21Å; D506-R508 PolarHBondContact OD2-NH2 3.3Å; D506-F509 HydrophobicContact CB-CD2 3.71Å; D506-F509 HydrophobicContact CB-CE2 3.77Å; D506-F509 PolarHBondContact O-N 3.22Å; D506-F509 VanDerWaalsContact O-N 3.07Å; D506-F509 WeakPolarHBondContact OD2-CE2 3.04Å
507	K	95.3	Very high	94.3	Very high	180 Å²	180	53.2 Å²	53.2	78%	0.783	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59.3	-19.6	-178.2	-63.6	-175	-179.9	-179.8	0	113.2	F509 S510 N538	K507-F509 PolarHBondContact O-N 2.83Å; K507-S510 PolarHBondContact O-N 3.05Å; K507-S510 PolarHBondContact O-OG 2.89Å; K507-N538 PolarHBondContact O-ND2 2.68Å
508	R	95.9	Very high	94	Very high	91 Å²	91	50.9 Å²	50.9	34%	0.343	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-65.5	-16.1	177.2	-60.6	179.7	-62.1	167.8	4.2	112.8	D506 T537 N538 E611	D506-R508 PolarHBondContact O-N 3.28Å; D506-R508 VanDerWaalsContact OD1-CB 3.22Å; D506-R508 WeakPolarHBondContact OD1-CB 3.48Å; D506-R508 WeakPolarHBondContact OD1-CG 3.43Å; D506-R508 PolarHBondContact OD1-N 2.9Å; D506-R508 IonicContact OD1-NE 3.29Å; D506-R508 PolarHBondContact OD1-NE 2.62Å; D506-R508 IonicContact OD2-CZ 2.82Å; D506-R508 VanDerWaalsContact OD2-CZ 3.23Å; D506-R508 IonicContact OD2-NE 3.17Å; D506-R508 PolarHBondContact OD2-NE 3.34Å; D506-R508 IonicContact OD2-NH2 3.21Å; D506-R508 PolarHBondContact OD2-NH2 3.3Å; R508-T537 HydrophobicContact CB-CG2 4.46Å; R508-T537 CarbonylContact O-C 3.5Å; R508-T537 WeakPolarHBondContact O-CA 3.43Å; R508-N538 PolarHBondContact O-N 3.28Å; R508-N538 PolarHBondContact O-OD1 2.83Å; R508-E611 IonicContact CZ-OE1 2.92Å; R508-E611 IonicContact NH1-OE1 2.69Å; R508-E611 PolarHBondContact NH1-OE1 3.22Å; R508-E611 IonicContact NH2-OE1 2.8Å; R508-E611 PolarHBondContact NH2-OE1 3.38Å; R508-E611 IonicContact NH2-OE2 2.83Å; R508-E611 PolarHBondContact NH2-OE2 2.93Å
509	F	95.9	Very high	93.6	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.018	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-106.2	8.7	-179.9	-53.4	-59.6	0	0	0	114	L503 D506 K507 I511 F512 L513 A535 T537 V623	L503-F509 HydrophobicContact CB-CB 4.45Å; L503-F509 HydrophobicContact CD2-CB 3.92Å; L503-F509 HydrophobicContact CD2-CD1 4.27Å; L503-F509 HydrophobicContact CD2-CD2 3.77Å; L503-F509 HydrophobicContact CD2-CE2 4.39Å; L503-F509 HydrophobicContact CD2-CG 3.71Å; D506-F509 HydrophobicContact CB-CD2 3.71Å; D506-F509 HydrophobicContact CB-CE2 3.77Å; D506-F509 PolarHBondContact O-N 3.22Å; D506-F509 VanDerWaalsContact O-N 3.07Å; D506-F509 WeakPolarHBondContact OD2-CE2 3.04Å; K507-F509 PolarHBondContact O-N 2.83Å; F509-I511 VanDerWaalsContact C-N 3.3Å; F509-I511 PolarHBondContact O-N 3.09Å; F509-F512 PolarHBondContact O-N 3.46Å; F509-F512 VanDerWaalsContact O-N 3.12Å; F509-L513 WeakPolarHBondContact O-CB 3.3Å; F509-L513 PolarHBondContact O-N 2.91Å; F509-A535 HydrophobicContact CD1-CB 4.03Å; F509-A535 HydrophobicContact CE1-CB 3.85Å; F509-A535 HydrophobicContact CZ-CB 4.45Å; F509-T537 HydrophobicContact CE1-CG2 4.02Å; F509-V623 HydrophobicContact CE1-CG1 4Å; F509-V623 HydrophobicContact CE1-CG2 4.31Å; F509-V623 HydrophobicContact CZ-CG1 4.09Å; F509-V623 HydrophobicContact CZ-CG2 3.76Å
510	S	94.6	Very high	93.1	Very high	64 Å²	64	54 Å²	54	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-57.3	-38.9	-172.8	59.2	0	0	0	0	114	K507 S514 N538	K507-S510 PolarHBondContact O-N 3.05Å; K507-S510 PolarHBondContact O-OG 2.89Å; S510-S514 PolarHBondContact O-N 3.02Å; S510-N538 PolarHBondContact N-OD1 3.47Å; S510-N538 PolarHBondContact OG-ND2 2.63Å; S510-N538 PolarHBondContact OG-OD1 3.26Å
511	I	93.1	Very high	92.6	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.138	26%	0.261	C	S	.	.	H	α-helix	trans	-69	-47.1	177.7	-61.8	172	0	0	0	110	F509 L513 S514 L515 N538 F541	F509-I511 VanDerWaalsContact C-N 3.3Å; F509-I511 PolarHBondContact O-N 3.09Å; I511-L513 PolarHBondContact O-N 3.29Å; I511-S514 PolarHBondContact O-N 3.19Å; I511-L515 HydrophobicContact CG2-CD1 4.38Å; I511-L515 WeakPolarHBondContact O-CG 3.29Å; I511-L515 PolarHBondContact O-N 3.3Å; I511-L515 VanDerWaalsContact O-N 3.07Å; I511-N538 WeakPolarHBondContact CB-OD1 3.41Å; I511-N538 HydrophobicContact CD1-CB 3.92Å; I511-N538 HydrophobicContact CG1-CB 4.46Å; I511-N538 VanDerWaalsContact CG1-OD1 3.31Å; I511-N538 WeakPolarHBondContact CG1-OD1 3.49Å; I511-N538 PolarHBondContact N-OD1 2.87Å; I511-F541 HydrophobicContact CB-CD2 4.13Å; I511-F541 HydrophobicContact CB-CG 4.44Å; I511-F541 HydrophobicContact CD1-CB 4.08Å; I511-F541 HydrophobicContact CG2-CB 4.02Å; I511-F541 HydrophobicContact CG2-CD1 4.12Å; I511-F541 HydrophobicContact CG2-CD2 3.84Å; I511-F541 HydrophobicContact CG2-CE2 4.35Å; I511-F541 HydrophobicContact CG2-CG 3.71Å
512	F	94.4	Very high	92.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-40	-179.8	-176	-120.3	0	0	0	112.4	F509 L515 L516 L533 A535 P536 F541 I563 H566	F509-F512 PolarHBondContact O-N 3.46Å; F509-F512 VanDerWaalsContact O-N 3.12Å; F512-L515 PolarHBondContact O-N 3.15Å; F512-L516 HydrophobicContact CD1-CD1 3.62Å; F512-L516 HydrophobicContact CE1-CD1 3.42Å; F512-L516 VanDerWaalsContact CE1-CD1 3.42Å; F512-L516 HydrophobicContact CE1-CG 4.22Å; F512-L516 HydrophobicContact CG-CD1 4.26Å; F512-L516 HydrophobicContact CZ-CD1 3.91Å; F512-L516 HydrophobicContact CZ-CG 4.22Å; F512-L516 WeakPolarHBondContact O-CB 3.5Å; F512-L516 PolarHBondContact O-N 3.46Å; F512-L533 HydrophobicContact CE1-CD1 4.12Å; F512-L533 HydrophobicContact CE1-CD2 4.32Å; F512-L533 HydrophobicContact CE1-CG 4.47Å; F512-L533 HydrophobicContact CZ-CD1 4.14Å; F512-A535 HydrophobicContact CD1-CB 4.4Å; F512-A535 HydrophobicContact CE1-CB 4.26Å; F512-P536 HydrophobicContact CB-CG 4.29Å; F512-P536 HydrophobicContact CD1-CG 4.36Å; F512-P536 HydrophobicContact CD2-CG 3.38Å; F512-P536 HydrophobicContact CE2-CG 3.64Å; F512-P536 HydrophobicContact CG-CG 3.77Å; F512-P536 HydrophobicContact CZ-CG 4.25Å; F512-F541 HydrophobicContact CB-CE2 4.06Å; F512-F541 HydrophobicContact CB-CZ 4.35Å; F512-F541 HydrophobicContact CD2-CZ 4.09Å; F512-I563 HydrophobicContact CD2-CD1 3.98Å; F512-I563 HydrophobicContact CE2-CD1 3.53Å; F512-I563 HydrophobicContact CE2-CG2 4.4Å; F512-I563 HydrophobicContact CZ-CG2 4.47Å; F512-H566 HydrophobicContact CZ-CB 4.32Å
513	L	94.1	Very high	91.6	Very high	20 Å²	20	55.1 Å²	55.1	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-42	175.4	-176.8	61.5	0	0	0	111.5	L503 R504 F509 I511 L515 L516 E517	L503-L513 HydrophobicContact CB-CD1 4.31Å; L503-L513 HydrophobicContact CD1-CD1 4.49Å; R504-L513 HydrophobicContact CB-CD2 3.98Å; R504-L513 HydrophobicContact CG-CD2 4.34Å; F509-L513 WeakPolarHBondContact O-CB 3.3Å; F509-L513 PolarHBondContact O-N 2.91Å; I511-L513 PolarHBondContact O-N 3.29Å; L513-L515 VanDerWaalsContact C-N 3.34Å; L513-L515 PolarHBondContact O-N 3.47Å; L513-L516 WeakPolarHBondContact O-CB 3.42Å; L513-L516 PolarHBondContact O-N 2.75Å; L513-E517 WeakPolarHBondContact O-CG 3.44Å; L513-E517 PolarHBondContact O-N 3.08Å
514	S	92	Very high	91	Very high	50 Å²	50	56.9 Å²	56.9	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-39.7	175.3	174.7	0	0	0	0	112.4	S510 I511 E517 A518	S510-S514 PolarHBondContact O-N 3.02Å; I511-S514 PolarHBondContact O-N 3.19Å; S514-E517 PolarHBondContact O-N 3.09Å; S514-A518 WeakPolarHBondContact O-CB 3.4Å; S514-A518 PolarHBondContact O-N 3.37Å
515	L	91.7	Very high	90.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-39.3	175.2	-69.2	178.4	0	0	0	112.3	I511 F512 L513 A518 A519 F541 R549 L552 I553 L559 I563	I511-L515 HydrophobicContact CG2-CD1 4.38Å; I511-L515 WeakPolarHBondContact O-CG 3.29Å; I511-L515 PolarHBondContact O-N 3.3Å; I511-L515 VanDerWaalsContact O-N 3.07Å; F512-L515 PolarHBondContact O-N 3.15Å; L513-L515 VanDerWaalsContact C-N 3.34Å; L513-L515 PolarHBondContact O-N 3.47Å; L515-A518 PolarHBondContact O-N 3.32Å; L515-A519 WeakPolarHBondContact O-CB 3.46Å; L515-A519 PolarHBondContact O-N 3.27Å; L515-F541 HydrophobicContact CD1-CD1 4.2Å; L515-F541 HydrophobicContact CD1-CE1 3.51Å; L515-F541 HydrophobicContact CD1-CZ 3.92Å; L515-R549 HydrophobicContact CD2-CG 4.48Å; L515-L552 HydrophobicContact CD1-CD2 4.36Å; L515-L552 HydrophobicContact CD2-CD2 4.26Å; L515-I553 HydrophobicContact CD2-CD1 4.35Å; L515-I553 HydrophobicContact CD2-CG1 3.94Å; L515-L559 HydrophobicContact CB-CD1 4.14Å; L515-L559 HydrophobicContact CD2-CD1 4.02Å; L515-L559 HydrophobicContact CG-CD1 4.48Å; L515-I563 HydrophobicContact CB-CD1 4.13Å
516	L	91.1	Very high	90.2	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.8	-86.1	160.7	0	0	0	112.3	L503 F512 L513 A519 L521 L525 I563	L503-L516 HydrophobicContact CD1-CD1 3.81Å; F512-L516 HydrophobicContact CD1-CD1 3.62Å; F512-L516 HydrophobicContact CE1-CD1 3.42Å; F512-L516 VanDerWaalsContact CE1-CD1 3.42Å; F512-L516 HydrophobicContact CE1-CG 4.22Å; F512-L516 HydrophobicContact CG-CD1 4.26Å; F512-L516 HydrophobicContact CZ-CD1 3.91Å; F512-L516 HydrophobicContact CZ-CG 4.22Å; F512-L516 WeakPolarHBondContact O-CB 3.5Å; F512-L516 PolarHBondContact O-N 3.46Å; L513-L516 WeakPolarHBondContact O-CB 3.42Å; L513-L516 PolarHBondContact O-N 2.75Å; L516-A519 PolarHBondContact O-N 3.47Å; L516-L521 HydrophobicContact CD2-CB 3.88Å; L516-L521 HydrophobicContact CD2-CD1 3.98Å; L516-L521 PolarHBondContact O-N 3.45Å; L516-L525 HydrophobicContact CD1-CD1 3.7Å; L516-L525 HydrophobicContact CD2-CD1 3.78Å; L516-L525 HydrophobicContact CG-CD1 4.27Å; L516-I563 HydrophobicContact CD2-CG2 3.28Å; L516-I563 HydrophobicContact CG-CG2 3.9Å
517	E	89.6	Confident	89.7	Confident	85 Å²	85	46.8 Å²	46.8	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-42	177.1	-71.9	-175.9	145.7	0	0	111.5	H500 L513 S514 A519 D520 K522	H500-E517 IonicContact NE2-OE1 3.44Å; L513-E517 WeakPolarHBondContact O-CG 3.44Å; L513-E517 PolarHBondContact O-N 3.08Å; S514-E517 PolarHBondContact O-N 3.09Å; E517-A519 PolarHBondContact O-N 3.02Å; E517-D520 PolarHBondContact O-N 3.33Å; E517-D520 VanDerWaalsContact O-N 3.09Å; E517-K522 HydrophobicContact CG-CD 4.47Å; E517-K522 IonicContact OE1-NZ 3.8Å
518	A	89.2	Confident	89.3	Confident	33 Å²	33	44.3 Å²	44.3	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-27.7	174.5	0	0	0	0	0	113.2	S514 L515 D520 I553 L559	S514-A518 WeakPolarHBondContact O-CB 3.4Å; S514-A518 PolarHBondContact O-N 3.37Å; L515-A518 PolarHBondContact O-N 3.32Å; A518-D520 VanDerWaalsContact C-N 3.28Å; A518-D520 PolarHBondContact O-N 2.64Å; A518-I553 HydrophobicContact CB-CG1 4.29Å; A518-I553 HydrophobicContact CB-CG2 4.15Å; A518-L559 HydrophobicContact CB-CD2 4.01Å
519	A	86.4	Confident	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.3	175.3	0	0	0	0	0	114.2	L515 L516 E517 L521 L559	L515-A519 WeakPolarHBondContact O-CB 3.46Å; L515-A519 PolarHBondContact O-N 3.27Å; L516-A519 PolarHBondContact O-N 3.47Å; E517-A519 PolarHBondContact O-N 3.02Å; A519-L521 HydrophobicContact CB-CD1 3.87Å; A519-L521 HydrophobicContact CB-CG 3.98Å; A519-L521 PolarHBondContact O-N 3.48Å; A519-L559 HydrophobicContact CB-CD2 4.27Å; A519-L559 HydrophobicContact CB-CG 4.2Å
520	D	84.6	Confident	88.7	Confident	71 Å²	71	44.8 Å²	44.8	38%	0.38	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.1	-172.8	-68.4	-16.9	0	0	0	113.8	E517 A518 K556 M666 K731	E517-D520 PolarHBondContact O-N 3.33Å; E517-D520 VanDerWaalsContact O-N 3.09Å; A518-D520 VanDerWaalsContact C-N 3.28Å; A518-D520 PolarHBondContact O-N 2.64Å; D520-K556 VanDerWaalsContact CG-NZ 3.32Å; D520-K556 IonicContact OD1-NZ 3.39Å; D520-K556 IonicContact OD2-NZ 3.34Å; D520-K556 PolarHBondContact OD2-NZ 2.89Å; D520-M666 HydrophobicContact CB-CE 4.28Å; D520-M666 WeakPolarHBondContact O-CE 3.36Å; D520-K731 IonicContact OD2-NZ 3.58Å
521	L	84.3	Confident	88.7	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	25%	0.247	C	C	.	.			trans	-94.7	4.1	-177.3	-67.6	173.6	0	0	0	114.3	L516 A519 D523 L524 L525 I563 L564 M666	L516-L521 HydrophobicContact CD2-CB 3.88Å; L516-L521 HydrophobicContact CD2-CD1 3.98Å; L516-L521 PolarHBondContact O-N 3.45Å; A519-L521 HydrophobicContact CB-CD1 3.87Å; A519-L521 HydrophobicContact CB-CG 3.98Å; A519-L521 PolarHBondContact O-N 3.48Å; L521-D523 PolarHBondContact O-N 3.33Å; L521-L524 PolarHBondContact O-N 3.33Å; L521-L525 PolarHBondContact O-N 3.33Å; L521-I563 HydrophobicContact CD1-CB 3.87Å; L521-I563 HydrophobicContact CD1-CG2 3.39Å; L521-L564 HydrophobicContact CD1-CD2 4.17Å; L521-L564 HydrophobicContact CD1-CG 4.37Å; L521-L564 HydrophobicContact CD2-CD2 3.76Å; L521-L564 HydrophobicContact CD2-CG 4.45Å; L521-M666 HydrophobicContact CD2-CE 3.96Å; L521-M666 HydrophobicContact CD2-SD 3.24Å; L521-M666 WeakPolarHBondContact CD2-SD 3.35Å; L521-M666 HydrophobicContact CG-SD 4.42Å
522	K	86.5	Confident	88.9	Confident	92 Å²	92	42.9 Å²	42.9	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-44.9	-177.5	179.3	175.4	176.7	171.1	0	113.3	E517 L524 L525 T526	E517-K522 HydrophobicContact CG-CD 4.47Å; E517-K522 IonicContact OE1-NZ 3.8Å; K522-L524 VanDerWaalsContact C-N 3.3Å; K522-L524 PolarHBondContact O-N 3.17Å; K522-L525 PolarHBondContact O-N 2.98Å; K522-T526 PolarHBondContact O-N 3.49Å; K522-T526 PolarHBondContact O-OG1 3.19Å
523	D	83.6	Confident	89	Confident	88 Å²	88	43 Å²	43	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-39.8	-176.8	-67.3	-24.2	0	0	0	110.9	L521 L525 T526 Q527	L521-D523 PolarHBondContact O-N 3.33Å; D523-L525 VanDerWaalsContact C-N 3.28Å; D523-L525 PolarHBondContact O-N 3.12Å; D523-T526 PolarHBondContact O-N 3.06Å; D523-T526 VanDerWaalsContact O-N 3.12Å; D523-Q527 WeakPolarHBondContact O-CB 3.43Å; D523-Q527 VanDerWaalsContact O-CG 3.3Å; D523-Q527 WeakPolarHBondContact O-CG 3.24Å; D523-Q527 PolarHBondContact O-N 3.17Å
524	L	82.9	Confident	89.1	Confident	39 Å²	39	42 Å²	42	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-39.3	176.6	-176.1	150.9	0	0	0	112	L521 K522 T526 W531 L567	L521-L524 PolarHBondContact O-N 3.33Å; K522-L524 VanDerWaalsContact C-N 3.3Å; K522-L524 PolarHBondContact O-N 3.17Å; L524-T526 VanDerWaalsContact C-N 3.32Å; L524-W531 HydrophobicContact CD1-CH2 4.11Å; L524-W531 HydrophobicContact CD1-CZ2 4.02Å; L524-W531 HydrophobicContact CD2-CD2 4.22Å; L524-W531 HydrophobicContact CD2-CZ2 4.17Å; L524-W531 HydrophobicContact CG-CZ2 3.98Å; L524-L567 HydrophobicContact CD1-CD2 3.97Å; L524-L567 HydrophobicContact CD2-CD1 4.3Å; L524-L567 HydrophobicContact CD2-CD2 3.35Å; L524-L567 HydrophobicContact CD2-CG 4.45Å; L524-L567 HydrophobicContact CG-CD2 4.34Å
525	L	86.5	Confident	89.4	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-80.1	-11.8	-179.9	-64.6	-177.3	0	0	0	114	L499 H500 L503 L516 L521 K522 D523 L533 L567 N618	L499-L525 HydrophobicContact CB-CB 4.21Å; L499-L525 HydrophobicContact CB-CD2 4.01Å; L499-L525 HydrophobicContact CD1-CD2 3.74Å; L499-L525 HydrophobicContact CG-CD2 4.5Å; H500-L525 HydrophobicContact CB-CB 4Å; H500-L525 PolarHBondContact N-O 2.92Å; L503-L525 HydrophobicContact CD1-CD1 4.07Å; L516-L525 HydrophobicContact CD1-CD1 3.7Å; L516-L525 HydrophobicContact CD2-CD1 3.78Å; L516-L525 HydrophobicContact CG-CD1 4.27Å; L521-L525 PolarHBondContact O-N 3.33Å; K522-L525 PolarHBondContact O-N 2.98Å; D523-L525 VanDerWaalsContact C-N 3.28Å; D523-L525 PolarHBondContact O-N 3.12Å; L525-L533 HydrophobicContact CD2-CD2 4.36Å; L525-L567 HydrophobicContact CD2-CD1 4.48Å; L525-N618 PolarHBondContact O-ND2 3.43Å
526	T	87.8	Confident	89.6	Confident	70 Å²	70	39.6 Å²	39.6	43%	0.429	22%	0.219	S	C	.	.	H	α-helix	trans	-100.9	-34.4	-179.3	-50.9	0	0	0	0	111.5	K522 D523 L524	K522-T526 PolarHBondContact O-N 3.49Å; K522-T526 PolarHBondContact O-OG1 3.19Å; D523-T526 PolarHBondContact O-N 3.06Å; D523-T526 VanDerWaalsContact O-N 3.12Å; L524-T526 VanDerWaalsContact C-N 3.32Å
527	Q	85.1	Confident	89.8	Confident	57 Å²	57	39.6 Å²	39.6	27%	0.266	22%	0.219	S	C	.	.	S	Bend	trans	-69.2	152.3	-179.5	-72.5	-177.8	6.2	0	0	112.4	D523 N618 Y669	D523-Q527 WeakPolarHBondContact O-CB 3.43Å; D523-Q527 VanDerWaalsContact O-CG 3.3Å; D523-Q527 WeakPolarHBondContact O-CG 3.24Å; D523-Q527 PolarHBondContact O-N 3.17Å; Q527-N618 WeakPolarHBondContact O-CB 3.46Å; Q527-N618 PolarHBondContact O-ND2 3.24Å; Q527-Y669 PolarHBondContact NE2-O 2.97Å; Q527-Y669 PolarHBondContact OE1-O 3.03Å
528	P	85.5	Confident	90	Very high	128 Å²	128	37.6 Å²	37.6	83%	0.831	21%	0.211	S	C	*	.	S	Bend	trans	-56.2	140.1	169.3	-21.3	32.5	0	0	0	111
529	G	87.3	Confident	90.1	Very high	26 Å²	26	40.6 Å²	40.6	27%	0.268	22%	0.223	S	C	.	.			trans	173.1	178.1	-179.6	0	0	0	0	0	110.9	N618	G529-N618 CarbonylContact C-O 3.44Å; G529-N618 CarbonylContact O-C 3.18Å; G529-N618 WeakPolarHBondContact O-CA 3.5Å; G529-N618 WeakPolarHBondContact O-CB 3.48Å
530	D	92.4	Very high	90.3	Very high	79 Å²	79	41 Å²	41	42%	0.422	23%	0.226	S	C	.	.			trans	-119.3	107.4	176.9	-72.3	-42.2	0	0	0	108.7	G570 V571	D530-G570 WeakPolarHBondContact O-CA 3.39Å; D530-G570 PolarHBondContact O-N 3.18Å; D530-V571 HydrophobicContact CB-CG2 3.94Å
531	W	94.8	Very high	90.6	Very high	51 Å²	51	37.8 Å²	37.8	19%	0.193	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.6	-173.9	-60.2	106.8	0	0	0	112.3	L499 L524 L567 T568 P569 G570 N618 G619 V620	L499-W531 HydrophobicContact CD1-CB 3.81Å; L499-W531 HydrophobicContact CD1-CG 4.38Å; L524-W531 HydrophobicContact CD1-CH2 4.11Å; L524-W531 HydrophobicContact CD1-CZ2 4.02Å; L524-W531 HydrophobicContact CD2-CD2 4.22Å; L524-W531 HydrophobicContact CD2-CZ2 4.17Å; L524-W531 HydrophobicContact CG-CZ2 3.98Å; W531-L567 HydrophobicContact CB-CD1 3.93Å; W531-L567 HydrophobicContact CD2-CD1 4.2Å; W531-L567 HydrophobicContact CD2-CD2 4.43Å; W531-L567 HydrophobicContact CD2-CG 4.45Å; W531-L567 HydrophobicContact CE3-CD1 3.96Å; W531-L567 HydrophobicContact CE3-CD2 3.88Å; W531-L567 HydrophobicContact CE3-CG 3.78Å; W531-L567 HydrophobicContact CG-CD1 4.22Å; W531-L567 HydrophobicContact CZ3-CD2 4Å; W531-L567 HydrophobicContact CZ3-CG 4.25Å; W531-T568 WeakPolarHBondContact CA-O 3.42Å; W531-P569 HydrophobicContact CE3-CB 4.34Å; W531-P569 HydrophobicContact CZ3-CB 3.96Å; W531-G570 CarbonylContact C-O 3.45Å; W531-G570 VanDerWaalsContact C-O 3.23Å; W531-N618 PolarHBondContact N-O 3.36Å; W531-G619 CarbonylContact O-C 3.6Å; W531-G619 WeakPolarHBondContact O-CA 3.31Å; W531-V620 PolarHBondContact O-N 2.85Å
532	T	96.6	Very high	90.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.9	167.5	-62.5	0	0	0	0	108.6	F534 L567 T568 G570 Y572 V620	T532-F534 HydrophobicContact CG2-CE1 4.31Å; T532-F534 HydrophobicContact CG2-CE2 3.93Å; T532-F534 HydrophobicContact CG2-CZ 3.65Å; T532-L567 WeakPolarHBondContact O-CA 3.28Å; T532-T568 PolarHBondContact N-O 2.85Å; T532-T568 PolarHBondContact O-N 2.6Å; T532-G570 PolarHBondContact N-O 3.26Å; T532-G570 VanDerWaalsContact N-O 3.11Å; T532-G570 PolarHBondContact OG1-O 2.84Å; T532-Y572 WeakPolarHBondContact OG1-CD2 3.35Å; T532-Y572 PolarHBondContact OG1-N 3.48Å; T532-V620 HydrophobicContact CG2-CG1 3.95Å; T532-V620 WeakPolarHBondContact OG1-CG1 3.46Å
533	L	96.9	Very high	90.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.6	-178.5	179.5	65.3	0	0	0	110.6	L499 L503 F512 L525 H566 L567 V620 I621 H622	L499-L533 HydrophobicContact CD2-CB 4.16Å; L499-L533 HydrophobicContact CD2-CD2 4.41Å; L503-L533 HydrophobicContact CD1-CD2 3.75Å; L503-L533 HydrophobicContact CD2-CD2 4.35Å; L503-L533 HydrophobicContact CG-CD2 4.39Å; F512-L533 HydrophobicContact CE1-CD1 4.12Å; F512-L533 HydrophobicContact CE1-CD2 4.32Å; F512-L533 HydrophobicContact CE1-CG 4.47Å; F512-L533 HydrophobicContact CZ-CD1 4.14Å; L525-L533 HydrophobicContact CD2-CD2 4.36Å; L533-H566 CarbonylContact C-O 3.46Å; L533-H566 WeakPolarHBondContact CA-O 3.31Å; L533-H566 HydrophobicContact CD1-CB 4.45Å; L533-L567 HydrophobicContact CB-CD1 4.47Å; L533-L567 HydrophobicContact CD1-CD1 4.31Å; L533-V620 PolarHBondContact N-O 2.98Å; L533-I621 HydrophobicContact CB-CG1 4.4Å; L533-I621 HydrophobicContact CD2-CG1 4.37Å; L533-I621 CarbonylContact O-C 3.59Å; L533-I621 WeakPolarHBondContact O-CA 3.25Å; L533-H622 PolarHBondContact O-N 2.86Å
534	F	97.2	Very high	90.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	101.9	168.9	-58.5	-76.5	0	0	0	108.5	T532 P536 H566 I593 L595 V604 H622 V624 L628	T532-F534 HydrophobicContact CG2-CE1 4.31Å; T532-F534 HydrophobicContact CG2-CE2 3.93Å; T532-F534 HydrophobicContact CG2-CZ 3.65Å; F534-P536 WeakPolarHBondContact O-CD 3.15Å; F534-H566 HydrophobicContact CB-CB 4.35Å; F534-H566 WeakPolarHBondContact CD2-O 3.48Å; F534-H566 PolarHBondContact N-O 3.28Å; F534-H566 WeakPolarHBondContact O-CB 3.09Å; F534-H566 PolarHBondContact O-CD2 3.33Å; F534-I593 HydrophobicContact CD2-CD1 3.65Å; F534-I593 HydrophobicContact CE2-CD1 3.62Å; F534-I593 HydrophobicContact CG-CD1 4.34Å; F534-I593 HydrophobicContact CZ-CD1 4.27Å; F534-L595 HydrophobicContact CE1-CD1 4.42Å; F534-L595 HydrophobicContact CE1-CD2 3.59Å; F534-L595 HydrophobicContact CE2-CD2 4.46Å; F534-L595 HydrophobicContact CZ-CD1 3.82Å; F534-L595 HydrophobicContact CZ-CD2 3.46Å; F534-L595 VanDerWaalsContact CZ-CD2 3.46Å; F534-L595 HydrophobicContact CZ-CG 4.21Å; F534-V604 HydrophobicContact CD1-CB 4.37Å; F534-V604 HydrophobicContact CD1-CG1 3.84Å; F534-V604 HydrophobicContact CD1-CG2 3.66Å; F534-V604 HydrophobicContact CE1-CB 4.43Å; F534-V604 HydrophobicContact CE1-CG1 3.94Å; F534-V604 HydrophobicContact CE1-CG2 3.57Å; F534-V604 HydrophobicContact CG-CG1 4.27Å; F534-V604 HydrophobicContact CZ-CG1 4.47Å; F534-H622 CarbonylContact C-O 3.47Å; F534-H622 VanDerWaalsContact CA-O 3.32Å; F534-H622 WeakPolarHBondContact CA-O 3.35Å; F534-H622 HydrophobicContact CD1-CB 3.74Å; F534-H622 HydrophobicContact CE1-CB 3.97Å; F534-H622 AromaticContact CE1-CD2 3.5Å; F534-H622 VanDerWaalsContact CE1-CD2 3.5Å; F534-H622 WeakPolarHBondContact CE1-CD2 3.47Å; F534-V624 HydrophobicContact CB-CG1 4.4Å; F534-L628 HydrophobicContact CB-CD1 3.61Å; F534-L628 HydrophobicContact CD2-CD1 4.42Å; F534-L628 HydrophobicContact CG-CD1 3.95Å
535	A	96.6	Very high	90.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	107.5	-172.5	0	0	0	0	0	111.4	L503 F509 F512 I621 H622 V623 V624	L503-A535 HydrophobicContact CD2-CB 3.9Å; F509-A535 HydrophobicContact CD1-CB 4.03Å; F509-A535 HydrophobicContact CE1-CB 3.85Å; F509-A535 HydrophobicContact CZ-CB 4.45Å; F512-A535 HydrophobicContact CD1-CB 4.4Å; F512-A535 HydrophobicContact CE1-CB 4.26Å; A535-I621 HydrophobicContact CB-CG2 3.63Å; A535-H622 PolarHBondContact N-O 3.09Å; A535-V623 WeakPolarHBondContact O-CA 3.42Å; A535-V624 PolarHBondContact O-N 3.43Å
536	P	95.9	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.6	173.2	27.9	-33.9	0	0	0	111.5	F512 F534 A540 F541 V624 L627	F512-P536 HydrophobicContact CB-CG 4.29Å; F512-P536 HydrophobicContact CD1-CG 4.36Å; F512-P536 HydrophobicContact CD2-CG 3.38Å; F512-P536 HydrophobicContact CE2-CG 3.64Å; F512-P536 HydrophobicContact CG-CG 3.77Å; F512-P536 HydrophobicContact CZ-CG 4.25Å; F534-P536 WeakPolarHBondContact O-CD 3.15Å; P536-A540 HydrophobicContact CB-CB 3.72Å; P536-F541 HydrophobicContact CB-CE2 3.88Å; P536-F541 HydrophobicContact CB-CZ 4.17Å; P536-F541 HydrophobicContact CG-CE2 3.78Å; P536-F541 HydrophobicContact CG-CZ 3.73Å; P536-V624 WeakPolarHBondContact CA-O 3.35Å; P536-V624 HydrophobicContact CB-CG2 4.03Å; P536-L627 HydrophobicContact CG-CD1 4.38Å
537	T	95.6	Very high	90.4	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.025	28%	0.28	C	S	.	.			trans	-69.8	163.4	172.5	57	0	0	0	0	111.8	R508 F509 D539 A540 F541 V623 V624	R508-T537 HydrophobicContact CB-CG2 4.46Å; R508-T537 CarbonylContact O-C 3.5Å; R508-T537 WeakPolarHBondContact O-CA 3.43Å; F509-T537 HydrophobicContact CE1-CG2 4.02Å; T537-D539 PolarHBondContact O-N 3.48Å; T537-D539 VanDerWaalsContact O-N 3.08Å; T537-A540 WeakPolarHBondContact O-CB 3.31Å; T537-A540 PolarHBondContact O-N 3.26Å; T537-F541 WeakPolarHBondContact O-CD2 3.03Å; T537-V623 HydrophobicContact CG2-CG1 3.52Å; T537-V624 PolarHBondContact N-O 3.39Å; T537-V624 VanDerWaalsContact N-O 3.07Å
538	N	94.1	Very high	90.4	Very high	44 Å²	44	48.3 Å²	48.3	24%	0.235	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-54.6	-28.5	174.6	-70.4	-19.4	0	0	0	112.8	K507 R508 S510 I511 A540 F541	K507-N538 PolarHBondContact O-ND2 2.68Å; R508-N538 PolarHBondContact O-N 3.28Å; R508-N538 PolarHBondContact O-OD1 2.83Å; S510-N538 PolarHBondContact N-OD1 3.47Å; S510-N538 PolarHBondContact OG-ND2 2.63Å; S510-N538 PolarHBondContact OG-OD1 3.26Å; I511-N538 WeakPolarHBondContact CB-OD1 3.41Å; I511-N538 HydrophobicContact CD1-CB 3.92Å; I511-N538 HydrophobicContact CG1-CB 4.46Å; I511-N538 VanDerWaalsContact CG1-OD1 3.31Å; I511-N538 WeakPolarHBondContact CG1-OD1 3.49Å; I511-N538 PolarHBondContact N-OD1 2.87Å; N538-A540 PolarHBondContact O-N 2.96Å; N538-F541 PolarHBondContact O-N 3.47Å; N538-F541 VanDerWaalsContact O-N 3.12Å
539	D	92	Very high	90.4	Very high	96 Å²	96	45.1 Å²	45.1	51%	0.513	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.7	-31.5	174.4	-68.2	-26.6	0	0	0	112.8	T537 F541 K542 K610	T537-D539 PolarHBondContact O-N 3.48Å; T537-D539 VanDerWaalsContact O-N 3.08Å; D539-F541 PolarHBondContact O-N 3.19Å; D539-K542 WeakPolarHBondContact O-CB 3.12Å; D539-K542 PolarHBondContact O-N 3.16Å; D539-K542 VanDerWaalsContact O-N 3.07Å; D539-K610 IonicContact OD2-NZ 2.79Å; D539-K610 PolarHBondContact OD2-NZ 2.93Å
540	A	90.7	Very high	90.4	Very high	7 Å²	7	50.9 Å²	50.9	6%	0.058	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.4	-21.3	177	0	0	0	0	0	112.5	P536 T537 N538 D625	P536-A540 HydrophobicContact CB-CB 3.72Å; T537-A540 WeakPolarHBondContact O-CB 3.31Å; T537-A540 PolarHBondContact O-N 3.26Å; N538-A540 PolarHBondContact O-N 2.96Å; A540-D625 VanDerWaalsContact CA-O 3.28Å; A540-D625 WeakPolarHBondContact CA-O 3.49Å; A540-D625 VanDerWaalsContact CB-O 3.29Å; A540-D625 WeakPolarHBondContact CB-O 3.41Å
541	F	91.1	Very high	90.1	Very high	5 Å²	5	50 Å²	50	2%	0.022	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-102.4	7.7	179.1	-58.3	-82	0	0	0	112.2	I511 F512 L515 P536 T537 N538 D539 G543 M544 L627 L647	I511-F541 HydrophobicContact CB-CD2 4.13Å; I511-F541 HydrophobicContact CB-CG 4.44Å; I511-F541 HydrophobicContact CD1-CB 4.08Å; I511-F541 HydrophobicContact CG2-CB 4.02Å; I511-F541 HydrophobicContact CG2-CD1 4.12Å; I511-F541 HydrophobicContact CG2-CD2 3.84Å; I511-F541 HydrophobicContact CG2-CE2 4.35Å; I511-F541 HydrophobicContact CG2-CG 3.71Å; F512-F541 HydrophobicContact CB-CE2 4.06Å; F512-F541 HydrophobicContact CB-CZ 4.35Å; F512-F541 HydrophobicContact CD2-CZ 4.09Å; L515-F541 HydrophobicContact CD1-CD1 4.2Å; L515-F541 HydrophobicContact CD1-CE1 3.51Å; L515-F541 HydrophobicContact CD1-CZ 3.92Å; P536-F541 HydrophobicContact CB-CE2 3.88Å; P536-F541 HydrophobicContact CB-CZ 4.17Å; P536-F541 HydrophobicContact CG-CE2 3.78Å; P536-F541 HydrophobicContact CG-CZ 3.73Å; T537-F541 WeakPolarHBondContact O-CD2 3.03Å; N538-F541 PolarHBondContact O-N 3.47Å; N538-F541 VanDerWaalsContact O-N 3.12Å; D539-F541 PolarHBondContact O-N 3.19Å; F541-G543 PolarHBondContact O-N 3.34Å; F541-M544 HydrophobicContact CB-CE 4.23Å; F541-M544 HydrophobicContact CD1-CE 4.04Å; F541-M544 WeakPolarHBondContact O-CB 3.03Å; F541-M544 PolarHBondContact O-N 3.13Å; F541-L627 HydrophobicContact CE1-CD1 3.95Å; F541-L627 HydrophobicContact CZ-CD1 3.98Å; F541-L647 HydrophobicContact CD1-CD1 4.5Å
542	K	85.3	Confident	89.6	Confident	170 Å²	170	47.7 Å²	47.7	74%	0.739	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	125.6	-178.6	-170.7	174.4	-177.7	175.8	0	110.2	D539	D539-K542 WeakPolarHBondContact O-CB 3.12Å; D539-K542 PolarHBondContact O-N 3.16Å; D539-K542 VanDerWaalsContact O-N 3.07Å
543	G	75.6	Confident	89.2	Confident	60 Å²	60	50.7 Å²	50.7	62%	0.619	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	-3.6	-175.7	0	0	0	0	0	114.2	F541	F541-G543 PolarHBondContact O-N 3.34Å
544	M	86.7	Confident	88.6	Confident	21 Å²	21	53.8 Å²	53.8	10%	0.103	30%	0.297	C	S	.	.			trans	-86	127.9	166.2	-173.5	174.8	66	0	0	110.1	F541 E548 R549 I643 L647	F541-M544 HydrophobicContact CB-CE 4.23Å; F541-M544 HydrophobicContact CD1-CE 4.04Å; F541-M544 WeakPolarHBondContact O-CB 3.03Å; F541-M544 PolarHBondContact O-N 3.13Å; M544-E548 WeakPolarHBondContact CA-OE2 2.99Å; M544-E548 HydrophobicContact CG-CB 3.75Å; M544-R549 HydrophobicContact CE-CB 3.91Å; M544-R549 HydrophobicContact CE-CG 4.04Å; M544-R549 HydrophobicContact SD-CB 4.3Å; M544-I643 HydrophobicContact SD-CG2 4.36Å; M544-L647 HydrophobicContact CB-CD2 4.08Å; M544-L647 HydrophobicContact SD-CD1 4.11Å
545	T	88.2	Confident	88.1	Confident	62 Å²	62	56.4 Å²	56.4	38%	0.38	31%	0.311	S	S	.	.			trans	-76.2	167.9	173.4	59.8	0	0	0	0	111.5	E547 E548 R549	T545-E547 VanDerWaalsContact C-N 3.31Å; T545-E547 WeakPolarHBondContact CB-OE2 3.44Å; T545-E548 WeakPolarHBondContact CB-OE2 3.38Å; T545-E548 PolarHBondContact N-OE2 3.17Å; T545-E548 PolarHBondContact O-N 3.04Å; T545-E548 WeakPolarHBondContact OG1-CB 3.38Å; T545-E548 WeakPolarHBondContact OG1-CG 3.08Å; T545-E548 PolarHBondContact OG1-N 3.43Å; T545-E548 PolarHBondContact OG1-OE2 3.15Å; T545-R549 PolarHBondContact O-N 2.79Å; T545-R549 VanDerWaalsContact O-N 3.1Å
546	N	85.4	Confident	87.5	Confident	112 Å²	112	60.7 Å²	60.7	60%	0.599	33%	0.329	S	S	*	.	H	α-helix	trans	-68.8	-35.5	177.7	-72.4	-30	0	0	0	111	R549 E550	N546-R549 WeakPolarHBondContact O-CB 3.45Å; N546-R549 PolarHBondContact O-N 3.31Å; N546-E550 PolarHBondContact O-N 3.28Å
547	E	84.9	Confident	87	Confident	129 Å²	129	62.7 Å²	62.7	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-45.5	176	-60.9	78.1	-170.3	0	0	110.9	T545 R549 E550 I551	T545-E547 VanDerWaalsContact C-N 3.31Å; T545-E547 WeakPolarHBondContact CB-OE2 3.44Å; E547-R549 VanDerWaalsContact C-N 3.28Å; E547-R549 PolarHBondContact O-N 2.95Å; E547-E550 PolarHBondContact O-N 2.78Å; E547-E550 VanDerWaalsContact O-N 3.16Å; E547-I551 WeakPolarHBondContact O-CG1 3.21Å; E547-I551 PolarHBondContact O-N 3.2Å
548	E	86.3	Confident	86.5	Confident	19 Å²	19	62.5 Å²	62.5	9%	0.089	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-34	175.8	-72.2	167.4	145	0	0	112.5	M544 T545 I551 L552 I643 K646	M544-E548 WeakPolarHBondContact CA-OE2 2.99Å; M544-E548 HydrophobicContact CG-CB 3.75Å; T545-E548 WeakPolarHBondContact CB-OE2 3.38Å; T545-E548 PolarHBondContact N-OE2 3.17Å; T545-E548 PolarHBondContact O-N 3.04Å; T545-E548 WeakPolarHBondContact OG1-CB 3.38Å; T545-E548 WeakPolarHBondContact OG1-CG 3.08Å; T545-E548 PolarHBondContact OG1-N 3.43Å; T545-E548 PolarHBondContact OG1-OE2 3.15Å; E548-I551 PolarHBondContact O-N 3.38Å; E548-L552 PolarHBondContact O-N 3.1Å; E548-I643 HydrophobicContact CB-CD1 3.96Å; E548-I643 HydrophobicContact CB-CG1 3.88Å; E548-I643 HydrophobicContact CG-CD1 4.17Å; E548-I643 HydrophobicContact CG-CG1 3.8Å; E548-K646 WeakPolarHBondContact OE1-CD 3.4Å; E548-K646 IonicContact OE1-NZ 2.91Å; E548-K646 PolarHBondContact OE1-NZ 2.7Å
549	R	85.8	Confident	86.3	Confident	61 Å²	61	60.5 Å²	60.5	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-44.3	172.7	-174.4	-176.5	-68.8	166.1	4.5	111.1	L515 M544 T545 N546 E547 I551 L552 I553	L515-R549 HydrophobicContact CD2-CG 4.48Å; M544-R549 HydrophobicContact CE-CB 3.91Å; M544-R549 HydrophobicContact CE-CG 4.04Å; M544-R549 HydrophobicContact SD-CB 4.3Å; T545-R549 PolarHBondContact O-N 2.79Å; T545-R549 VanDerWaalsContact O-N 3.1Å; N546-R549 WeakPolarHBondContact O-CB 3.45Å; N546-R549 PolarHBondContact O-N 3.31Å; E547-R549 VanDerWaalsContact C-N 3.28Å; E547-R549 PolarHBondContact O-N 2.95Å; R549-I551 VanDerWaalsContact C-N 3.31Å; R549-I551 PolarHBondContact O-N 3.11Å; R549-L552 PolarHBondContact O-N 2.56Å; R549-I553 HydrophobicContact CG-CD1 3.91Å; R549-I553 VanDerWaalsContact O-CG1 3.32Å; R549-I553 WeakPolarHBondContact O-CG1 3.48Å; R549-I553 PolarHBondContact O-N 3.21Å
550	E	85.4	Confident	86.1	Confident	147 Å²	147	57 Å²	57	69%	0.687	31%	0.309	S	S	*	.	H	α-helix	trans	-64.7	-36.1	176.9	-71.3	-166.5	164.7	0	0	112	N546 E547 I553 G554	N546-E550 PolarHBondContact O-N 3.28Å; E547-E550 PolarHBondContact O-N 2.78Å; E547-E550 VanDerWaalsContact O-N 3.16Å; E550-I553 PolarHBondContact O-N 3.12Å; E550-G554 PolarHBondContact O-N 3.01Å
551	I	86.1	Confident	85.9	Confident	62 Å²	62	56.8 Å²	56.8	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-45.4	172.8	-66.8	167.3	0	0	0	110.7	E547 E548 R549 I553 G554 D555 I643	E547-I551 WeakPolarHBondContact O-CG1 3.21Å; E547-I551 PolarHBondContact O-N 3.2Å; E548-I551 PolarHBondContact O-N 3.38Å; R549-I551 VanDerWaalsContact C-N 3.31Å; R549-I551 PolarHBondContact O-N 3.11Å; I551-I553 VanDerWaalsContact C-N 3.34Å; I551-I553 PolarHBondContact O-N 3Å; I551-G554 PolarHBondContact O-N 3.4Å; I551-D555 PolarHBondContact O-N 3.16Å; I551-I643 HydrophobicContact CB-CD1 3.85Å; I551-I643 HydrophobicContact CD1-CD1 4.39Å; I551-I643 HydrophobicContact CG2-CD1 3.62Å
552	L	85.3	Confident	85.8	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-38.5	177.6	-170.9	69.4	0	0	0	111.9	L515 E548 R549 L559 I562 L640	L515-L552 HydrophobicContact CD1-CD2 4.36Å; L515-L552 HydrophobicContact CD2-CD2 4.26Å; E548-L552 PolarHBondContact O-N 3.1Å; R549-L552 PolarHBondContact O-N 2.56Å; L552-L559 HydrophobicContact CD2-CD1 4.2Å; L552-L559 HydrophobicContact CG-CD1 4.15Å; L552-I562 HydrophobicContact CD1-CD1 4.03Å; L552-L640 HydrophobicContact CD1-CD1 3.6Å
553	I	87.1	Confident	86.1	Confident	62 Å²	62	48.7 Å²	48.7	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-68.9	-35	175.5	-69.6	168.6	0	0	0	111.5	L515 A518 R549 E550 I551 D555 L559	L515-I553 HydrophobicContact CD2-CD1 4.35Å; L515-I553 HydrophobicContact CD2-CG1 3.94Å; A518-I553 HydrophobicContact CB-CG1 4.29Å; A518-I553 HydrophobicContact CB-CG2 4.15Å; R549-I553 HydrophobicContact CG-CD1 3.91Å; R549-I553 VanDerWaalsContact O-CG1 3.32Å; R549-I553 WeakPolarHBondContact O-CG1 3.48Å; R549-I553 PolarHBondContact O-N 3.21Å; E550-I553 PolarHBondContact O-N 3.12Å; I551-I553 VanDerWaalsContact C-N 3.34Å; I551-I553 PolarHBondContact O-N 3Å; I553-D555 VanDerWaalsContact C-N 3.32Å; I553-D555 PolarHBondContact O-N 2.76Å; I553-L559 HydrophobicContact CG1-CD2 4.48Å
554	G	85.8	Confident	86.9	Confident	66 Å²	66	45.9 Å²	45.9	68%	0.68	24%	0.243	S	C	*	.	H	α-helix	trans	-63.5	-34.9	178.3	0	0	0	0	0	113.1	E550 I551 K556	E550-G554 PolarHBondContact O-N 3.01Å; I551-G554 PolarHBondContact O-N 3.4Å; G554-K556 PolarHBondContact O-N 2.88Å
555	D	85.9	Confident	87.2	Confident	55 Å²	55	45.2 Å²	45.2	29%	0.294	24%	0.239	S	C	.	.			trans	-90.6	76.8	171.7	-166.5	-20.1	0	0	0	111.2	I551 I553 N557 A558 L559	I551-D555 PolarHBondContact O-N 3.16Å; I553-D555 VanDerWaalsContact C-N 3.32Å; I553-D555 PolarHBondContact O-N 2.76Å; D555-N557 PolarHBondContact O-N 2.88Å; D555-N557 PolarHBondContact OD1-N 3.44Å; D555-A558 HydrophobicContact CB-CB 3.95Å; D555-A558 PolarHBondContact O-N 2.84Å; D555-A558 WeakPolarHBondContact OD1-CB 3.39Å; D555-A558 PolarHBondContact OD1-N 2.87Å; D555-A558 WeakPolarHBondContact OD2-CB 3.06Å; D555-L559 WeakPolarHBondContact O-CB 3.48Å; D555-L559 PolarHBondContact O-N 3.45Å
556	K	84.9	Confident	87.6	Confident	90 Å²	90	42.2 Å²	42.2	39%	0.391	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-35.7	-178	-171.3	169.9	-176.6	166.3	0	113.2	D520 G554 Q560	D520-K556 VanDerWaalsContact CG-NZ 3.32Å; D520-K556 IonicContact OD1-NZ 3.39Å; D520-K556 IonicContact OD2-NZ 3.34Å; D520-K556 PolarHBondContact OD2-NZ 2.89Å; G554-K556 PolarHBondContact O-N 2.88Å; K556-Q560 WeakPolarHBondContact O-CB 3.3Å; K556-Q560 PolarHBondContact O-N 2.86Å
557	N	84.9	Confident	88	Confident	43 Å²	43	37.2 Å²	37.2	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-73.7	-42.5	-178.2	-172.9	8.7	0	0	0	111.4	D555 N561 F661 K662	D555-N557 PolarHBondContact O-N 2.88Å; D555-N557 PolarHBondContact OD1-N 3.44Å; N557-N561 PolarHBondContact O-N 3.19Å; N557-N561 PolarHBondContact O-ND2 3.49Å; N557-N561 PolarHBondContact OD1-ND2 3.21Å; N557-N561 VanDerWaalsContact OD1-ND2 3.08Å; N557-F661 PolarHBondContact ND2-O 2.99Å; N557-K662 PolarHBondContact OD1-O 3.42Å
558	A	85.5	Confident	88.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-48.1	171.7	0	0	0	0	0	111.5	D555 Q560 N561 I562 L640 F661	D555-A558 HydrophobicContact CB-CB 3.95Å; D555-A558 PolarHBondContact O-N 2.84Å; D555-A558 WeakPolarHBondContact OD1-CB 3.39Å; D555-A558 PolarHBondContact OD1-N 2.87Å; D555-A558 WeakPolarHBondContact OD2-CB 3.06Å; A558-Q560 VanDerWaalsContact C-N 3.35Å; A558-Q560 PolarHBondContact O-N 2.04Å; A558-N561 PolarHBondContact O-N 3.44Å; A558-I562 VanDerWaalsContact O-CG1 3.29Å; A558-I562 WeakPolarHBondContact O-CG1 3.49Å; A558-I562 PolarHBondContact O-N 3.18Å; A558-L640 HydrophobicContact CB-CD2 3.71Å; A558-F661 HydrophobicContact CB-CD2 3.4Å; A558-F661 HydrophobicContact CB-CE2 3.48Å; A558-F661 VanDerWaalsContact CB-CE2 3.48Å; A558-F661 HydrophobicContact CB-CG 4.15Å; A558-F661 HydrophobicContact CB-CZ 4.26Å
559	L	88.7	Confident	88.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-49.5	178.3	178.4	60.5	0	0	0	111.1	L515 A518 A519 L552 I553 D555 N561 I562 I563	L515-L559 HydrophobicContact CB-CD1 4.14Å; L515-L559 HydrophobicContact CD2-CD1 4.02Å; L515-L559 HydrophobicContact CG-CD1 4.48Å; A518-L559 HydrophobicContact CB-CD2 4.01Å; A519-L559 HydrophobicContact CB-CD2 4.27Å; A519-L559 HydrophobicContact CB-CG 4.2Å; L552-L559 HydrophobicContact CD2-CD1 4.2Å; L552-L559 HydrophobicContact CG-CD1 4.15Å; I553-L559 HydrophobicContact CG1-CD2 4.48Å; D555-L559 WeakPolarHBondContact O-CB 3.48Å; D555-L559 PolarHBondContact O-N 3.45Å; L559-N561 VanDerWaalsContact C-N 3.33Å; L559-N561 PolarHBondContact O-N 3.05Å; L559-I562 PolarHBondContact O-N 2.93Å; L559-I563 HydrophobicContact CD1-CD1 4.24Å; L559-I563 HydrophobicContact CD1-CG1 3.82Å; L559-I563 HydrophobicContact CG-CG1 4.31Å; L559-I563 VanDerWaalsContact O-CG1 3.25Å; L559-I563 WeakPolarHBondContact O-CG1 3.39Å; L559-I563 PolarHBondContact O-N 3.17Å
560	Q	87.6	Confident	89.1	Confident	22 Å²	22	31.3 Å²	31.3	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-42.1	179.4	-168.7	-179	2.8	0	0	112	K556 A558 I563 L564 M666	K556-Q560 WeakPolarHBondContact O-CB 3.3Å; K556-Q560 PolarHBondContact O-N 2.86Å; A558-Q560 VanDerWaalsContact C-N 3.35Å; A558-Q560 PolarHBondContact O-N 2.04Å; Q560-I563 PolarHBondContact O-N 3.32Å; Q560-L564 HydrophobicContact CG-CD1 3.85Å; Q560-L564 HydrophobicContact CG-CG 4.3Å; Q560-L564 VanDerWaalsContact O-CB 3.23Å; Q560-L564 WeakPolarHBondContact O-CB 3.44Å; Q560-L564 WeakPolarHBondContact O-CG 3.45Å; Q560-L564 PolarHBondContact O-N 3.28Å; Q560-M666 PolarHBondContact NE2-SD 3.37Å
561	N	87.7	Confident	89.6	Confident	3 Å²	3	24.9 Å²	24.9	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-44.5	175.4	-88.5	-93.8	0	0	0	112.4	N557 A558 L559 Y565 Q589 F661 K662 I664	N557-N561 PolarHBondContact O-N 3.19Å; N557-N561 PolarHBondContact O-ND2 3.49Å; N557-N561 PolarHBondContact OD1-ND2 3.21Å; N557-N561 VanDerWaalsContact OD1-ND2 3.08Å; A558-N561 PolarHBondContact O-N 3.44Å; L559-N561 VanDerWaalsContact C-N 3.33Å; L559-N561 PolarHBondContact O-N 3.05Å; N561-Y565 PolarHBondContact O-N 2.87Å; N561-Q589 HydrophobicContact CB-CG 4.39Å; N561-Q589 VanDerWaalsContact O-CG 3.23Å; N561-Q589 WeakPolarHBondContact O-CG 3.44Å; N561-Q589 PolarHBondContact OD1-NE2 3.08Å; N561-F661 HydrophobicContact CB-CB 4.34Å; N561-F661 HydrophobicContact CB-CD1 3.66Å; N561-F661 HydrophobicContact CB-CE1 4.35Å; N561-F661 HydrophobicContact CB-CG 4.25Å; N561-K662 PolarHBondContact ND2-O 3.26Å; N561-K662 PolarHBondContact OD1-O 3.05Å; N561-I664 VanDerWaalsContact OD1-CD1 3.24Å; N561-I664 WeakPolarHBondContact OD1-CD1 3.49Å
562	I	89.4	Confident	90	Very high	2 Å²	2	25 Å²	25	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-46.1	179.1	-68.1	163	0	0	0	110.4	L552 A558 L559 Y565 H566 L627 Y629 L644	L552-I562 HydrophobicContact CD1-CD1 4.03Å; A558-I562 VanDerWaalsContact O-CG1 3.29Å; A558-I562 WeakPolarHBondContact O-CG1 3.49Å; A558-I562 PolarHBondContact O-N 3.18Å; L559-I562 PolarHBondContact O-N 2.93Å; I562-Y565 WeakPolarHBondContact O-CB 3.27Å; I562-Y565 PolarHBondContact O-N 3.04Å; I562-H566 PolarHBondContact O-ND1 3.38Å; I562-L627 HydrophobicContact CG2-CD1 4.08Å; I562-L627 HydrophobicContact CG2-CD2 4.12Å; I562-L627 HydrophobicContact CG2-CG 4.27Å; I562-Y629 HydrophobicContact CG1-CD2 4.17Å; I562-Y629 HydrophobicContact CG1-CE2 4.07Å; I562-L644 HydrophobicContact CD1-CD1 4.5Å; I562-L644 HydrophobicContact CD1-CD2 3.92Å
563	I	91.9	Very high	90.4	Very high	3 Å²	3	25 Å²	25	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-71.3	-40.1	-177.8	-58.6	-65.7	0	0	0	111.5	F512 L515 L516 L521 L559 Q560 Y565 H566	F512-I563 HydrophobicContact CD2-CD1 3.98Å; F512-I563 HydrophobicContact CE2-CD1 3.53Å; F512-I563 HydrophobicContact CE2-CG2 4.4Å; F512-I563 HydrophobicContact CZ-CG2 4.47Å; L515-I563 HydrophobicContact CB-CD1 4.13Å; L516-I563 HydrophobicContact CD2-CG2 3.28Å; L516-I563 HydrophobicContact CG-CG2 3.9Å; L521-I563 HydrophobicContact CD1-CB 3.87Å; L521-I563 HydrophobicContact CD1-CG2 3.39Å; L559-I563 HydrophobicContact CD1-CD1 4.24Å; L559-I563 HydrophobicContact CD1-CG1 3.82Å; L559-I563 HydrophobicContact CG-CG1 4.31Å; L559-I563 VanDerWaalsContact O-CG1 3.25Å; L559-I563 WeakPolarHBondContact O-CG1 3.39Å; L559-I563 PolarHBondContact O-N 3.17Å; Q560-I563 PolarHBondContact O-N 3.32Å; I563-Y565 PolarHBondContact O-N 2.92Å; I563-H566 WeakPolarHBondContact O-CB 3.45Å; I563-H566 PolarHBondContact O-N 3.11Å
564	L	91.6	Very high	90.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-18.2	176.1	-72.2	176.7	0	0	0	113.3	L521 Q560 H566 L567 T588 Q589 I664	L521-L564 HydrophobicContact CD1-CD2 4.17Å; L521-L564 HydrophobicContact CD1-CG 4.37Å; L521-L564 HydrophobicContact CD2-CD2 3.76Å; L521-L564 HydrophobicContact CD2-CG 4.45Å; Q560-L564 HydrophobicContact CG-CD1 3.85Å; Q560-L564 HydrophobicContact CG-CG 4.3Å; Q560-L564 VanDerWaalsContact O-CB 3.23Å; Q560-L564 WeakPolarHBondContact O-CB 3.44Å; Q560-L564 WeakPolarHBondContact O-CG 3.45Å; Q560-L564 PolarHBondContact O-N 3.28Å; L564-H566 VanDerWaalsContact C-N 3.27Å; L564-L567 HydrophobicContact CD2-CD2 4.29Å; L564-L567 PolarHBondContact O-N 3.17Å; L564-L567 VanDerWaalsContact O-O 3.07Å; L564-T588 HydrophobicContact CD2-CG2 3.82Å; L564-Q589 HydrophobicContact CB-CB 3.89Å; L564-Q589 PolarHBondContact O-N 2.91Å; L564-I664 HydrophobicContact CD1-CB 4.03Å; L564-I664 HydrophobicContact CD1-CD1 3.69Å; L564-I664 HydrophobicContact CD1-CG1 4.49Å; L564-I664 HydrophobicContact CD1-CG2 3.87Å
565	Y	93.8	Very high	90.7	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.024	13%	0.125	C	C	.	.	H	α-helix	trans	-72.1	-24.3	172	-172.4	-112.9	0	0	0	112.2	N561 I562 I563 L567 T587 K592 N605 L628 Y629 P630	N561-Y565 PolarHBondContact O-N 2.87Å; I562-Y565 WeakPolarHBondContact O-CB 3.27Å; I562-Y565 PolarHBondContact O-N 3.04Å; I563-Y565 PolarHBondContact O-N 2.92Å; Y565-L567 VanDerWaalsContact C-N 3.25Å; Y565-L567 PolarHBondContact O-N 2.94Å; Y565-T587 HydrophobicContact CD2-CG2 3.72Å; Y565-T587 HydrophobicContact CE2-CG2 3.83Å; Y565-T587 HydrophobicContact CG-CG2 4.46Å; Y565-T587 VanDerWaalsContact O-CG2 3.23Å; Y565-T587 WeakPolarHBondContact O-CG2 3Å; Y565-K592 WeakPolarHBondContact CE2-O 3.44Å; Y565-K592 PolarHBondContact OH-O 2.95Å; Y565-N605 PolarHBondContact OH-ND2 3.19Å; Y565-L628 HydrophobicContact CD1-CB 3.89Å; Y565-L628 HydrophobicContact CE1-CB 3.94Å; Y565-Y629 VanDerWaalsContact CE1-C 3.49Å; Y565-P630 HydrophobicContact CD2-CB 3.93Å; Y565-P630 HydrophobicContact CD2-CG 4.2Å; Y565-P630 HydrophobicContact CE2-CB 3.79Å; Y565-P630 HydrophobicContact CG-CB 4.39Å; Y565-P630 HydrophobicContact CG-CG 4.28Å
566	H	95.4	Very high	90.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.4	175.2	-65.2	75.5	0	0	0	112.8	F512 L533 F534 I562 I563 L564 L628	F512-H566 HydrophobicContact CZ-CB 4.32Å; L533-H566 CarbonylContact C-O 3.46Å; L533-H566 WeakPolarHBondContact CA-O 3.31Å; L533-H566 HydrophobicContact CD1-CB 4.45Å; F534-H566 HydrophobicContact CB-CB 4.35Å; F534-H566 WeakPolarHBondContact CD2-O 3.48Å; F534-H566 PolarHBondContact N-O 3.28Å; F534-H566 WeakPolarHBondContact O-CB 3.09Å; F534-H566 PolarHBondContact O-CD2 3.33Å; I562-H566 PolarHBondContact O-ND1 3.38Å; I563-H566 WeakPolarHBondContact O-CB 3.45Å; I563-H566 PolarHBondContact O-N 3.11Å; L564-H566 VanDerWaalsContact C-N 3.27Å; H566-L628 PolarHBondContact CE1-N 3.36Å; H566-L628 PolarHBondContact CE1-O 2.79Å; H566-L628 WeakPolarHBondContact NE2-CB 3.21Å; H566-L628 PolarHBondContact NE2-N 2.77Å
567	L	94	Very high	91.1	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.1	-177.5	-173.9	73.1	0	0	0	110.1	L524 L525 W531 T532 L533 L564 Y565 T587 T588	L524-L567 HydrophobicContact CD1-CD2 3.97Å; L524-L567 HydrophobicContact CD2-CD1 4.3Å; L524-L567 HydrophobicContact CD2-CD2 3.35Å; L524-L567 HydrophobicContact CD2-CG 4.45Å; L524-L567 HydrophobicContact CG-CD2 4.34Å; L525-L567 HydrophobicContact CD2-CD1 4.48Å; W531-L567 HydrophobicContact CB-CD1 3.93Å; W531-L567 HydrophobicContact CD2-CD1 4.2Å; W531-L567 HydrophobicContact CD2-CD2 4.43Å; W531-L567 HydrophobicContact CD2-CG 4.45Å; W531-L567 HydrophobicContact CE3-CD1 3.96Å; W531-L567 HydrophobicContact CE3-CD2 3.88Å; W531-L567 HydrophobicContact CE3-CG 3.78Å; W531-L567 HydrophobicContact CG-CD1 4.22Å; W531-L567 HydrophobicContact CZ3-CD2 4Å; W531-L567 HydrophobicContact CZ3-CG 4.25Å; T532-L567 WeakPolarHBondContact O-CA 3.28Å; L533-L567 HydrophobicContact CB-CD1 4.47Å; L533-L567 HydrophobicContact CD1-CD1 4.31Å; L564-L567 HydrophobicContact CD2-CD2 4.29Å; L564-L567 PolarHBondContact O-N 3.17Å; L564-L567 VanDerWaalsContact O-O 3.07Å; Y565-L567 VanDerWaalsContact C-N 3.25Å; Y565-L567 PolarHBondContact O-N 2.94Å; L567-T587 CarbonylContact O-C 3.51Å; L567-T587 WeakPolarHBondContact O-CA 3.47Å; L567-T587 WeakPolarHBondContact O-CB 3.32Å; L567-T588 PolarHBondContact O-N 2.04Å; L567-T588 PolarHBondContact O-OG1 3.29Å
568	T	94.8	Very high	91.4	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.9	177.9	-62.3	0	0	0	0	109.8	W531 T532 Y572 L585	W531-T568 WeakPolarHBondContact CA-O 3.42Å; T532-T568 PolarHBondContact N-O 2.85Å; T532-T568 PolarHBondContact O-N 2.6Å; T568-Y572 HydrophobicContact CG2-CD2 4.21Å; T568-Y572 HydrophobicContact CG2-CE2 3.85Å; T568-L585 HydrophobicContact CG2-CB 3.99Å; T568-L585 HydrophobicContact CG2-CD1 4.05Å
569	P	92.4	Very high	91.6	Very high	64 Å²	64	25.2 Å²	25.2	42%	0.416	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.4	173.7	28.9	-34.2	0	0	0	111.2	W531 Y572 K586	W531-P569 HydrophobicContact CE3-CB 4.34Å; W531-P569 HydrophobicContact CZ3-CB 3.96Å; P569-Y572 WeakPolarHBondContact O-CE2 3.26Å; P569-K586 WeakPolarHBondContact CD-O 3.45Å
570	G	92.7	Very high	91.6	Very high	21 Å²	21	27 Å²	27	22%	0.216	16%	0.158	C	C	.	.	S	Bend	trans	98.9	155.5	-172.4	0	0	0	0	0	112.9	D530 W531 T532	D530-G570 WeakPolarHBondContact O-CA 3.39Å; D530-G570 PolarHBondContact O-N 3.18Å; W531-G570 CarbonylContact C-O 3.45Å; W531-G570 VanDerWaalsContact C-O 3.23Å; T532-G570 PolarHBondContact N-O 3.26Å; T532-G570 VanDerWaalsContact N-O 3.11Å; T532-G570 PolarHBondContact OG1-O 2.84Å
571	V	95.2	Very high	91.8	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.067	17%	0.169	C	C	.	.			trans	-96.5	113.7	176.8	-179	0	0	0	0	109.9	F460 Y462 D530 I573 M615 V620	F460-V571 HydrophobicContact CD1-CB 4Å; F460-V571 HydrophobicContact CD1-CG1 4.28Å; F460-V571 HydrophobicContact CE1-CB 3.6Å; F460-V571 HydrophobicContact CE1-CG1 3.81Å; F460-V571 HydrophobicContact CE1-CG2 3.92Å; F460-V571 HydrophobicContact CE2-CG1 4.05Å; F460-V571 HydrophobicContact CZ-CB 4.01Å; F460-V571 HydrophobicContact CZ-CG1 3.68Å; F460-V571 HydrophobicContact CZ-CG2 4.28Å; Y462-V571 PolarHBondContact OH-O 3.32Å; D530-V571 HydrophobicContact CB-CG2 3.94Å; V571-I573 HydrophobicContact CG1-CG2 4.46Å; V571-M615 HydrophobicContact CG1-CE 4.3Å; V571-V620 HydrophobicContact CG1-CB 4.04Å; V571-V620 HydrophobicContact CG1-CG1 3.84Å
572	Y	95	Very high	92.1	Very high	66 Å²	66	31.9 Å²	31.9	26%	0.259	19%	0.189	S	C	.	.			trans	-119.6	100.7	-179.4	-62	-82.2	0	0	0	110.3	Y462 T532 T568 P569 F577 L585 H622	Y462-Y572 HydrophobicContact CE1-CD1 4.12Å; T532-Y572 WeakPolarHBondContact OG1-CD2 3.35Å; T532-Y572 PolarHBondContact OG1-N 3.48Å; T568-Y572 HydrophobicContact CG2-CD2 4.21Å; T568-Y572 HydrophobicContact CG2-CE2 3.85Å; P569-Y572 WeakPolarHBondContact O-CE2 3.26Å; Y572-F577 HydrophobicContact CD1-CE1 4.17Å; Y572-F577 HydrophobicContact CD1-CZ 4.23Å; Y572-F577 HydrophobicContact CG-CZ 4.39Å; Y572-L585 HydrophobicContact CD1-CD1 3.89Å; Y572-L585 HydrophobicContact CD1-CD2 4.07Å; Y572-L585 HydrophobicContact CD2-CD1 3.46Å; Y572-L585 VanDerWaalsContact CD2-CD1 3.46Å; Y572-L585 HydrophobicContact CE1-CD1 4.11Å; Y572-L585 HydrophobicContact CE1-CD2 3.63Å; Y572-L585 HydrophobicContact CE2-CD1 3.71Å; Y572-L585 HydrophobicContact CE2-CD2 4.26Å; Y572-L585 HydrophobicContact CG-CD1 3.56Å; Y572-H622 PolarHBondContact O-CE1 2.83Å; Y572-H622 PolarHBondContact O-NE2 3.38Å
573	I	93.7	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.			trans	-86.6	139.4	173.4	53.6	157.4	0	0	0	110.6	Y462 C467 C472 V571 K575 G576 D613 M615 V620	Y462-I573 HydrophobicContact CE2-CD1 4.26Å; Y462-I573 HydrophobicContact CE2-CG1 3.72Å; Y462-I573 VanDerWaalsContact OH-CG1 3.27Å; Y462-I573 WeakPolarHBondContact OH-CG1 3.43Å; Y462-I573 PolarHBondContact OH-N 2.65Å; Y462-I573 VanDerWaalsContact OH-N 3.17Å; C467-I573 HydrophobicContact CB-CD1 3.62Å; C472-I573 VanDerWaalsContact SG-CD1 3.56Å; V571-I573 HydrophobicContact CG1-CG2 4.46Å; I573-K575 VanDerWaalsContact C-N 3.27Å; I573-K575 PolarHBondContact O-N 2.75Å; I573-G576 PolarHBondContact O-N 3.41Å; I573-D613 WeakPolarHBondContact CA-OD1 3.34Å; I573-D613 WeakPolarHBondContact CB-OD1 3.45Å; I573-D613 HydrophobicContact CG2-CB 4.5Å; I573-M615 HydrophobicContact CG2-SD 3.66Å; I573-V620 HydrophobicContact CG2-CG2 4.07Å
574	G	90.6	Very high	92.5	Very high	11 Å²	11	38.6 Å²	38.6	11%	0.113	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.2	-38.4	-179.6	0	0	0	0	0	112.6	G576 F577 D613	G574-G576 PolarHBondContact O-N 3.47Å; G574-F577 PolarHBondContact O-N 3.09Å; G574-D613 PolarHBondContact N-OD1 2.83Å
575	K	89.1	Confident	92.6	Very high	94 Å²	94	39.3 Å²	39.3	41%	0.409	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.3	-18.8	175.9	-65.2	173.1	-162	179.9	0	114.2	E490 I573 F577 D613	E490-K575 WeakPolarHBondContact OE1-CE 3.38Å; E490-K575 IonicContact OE1-NZ 2.72Å; E490-K575 PolarHBondContact OE1-NZ 2.91Å; E490-K575 IonicContact OE2-NZ 2.71Å; E490-K575 PolarHBondContact OE2-NZ 3.38Å; I573-K575 VanDerWaalsContact C-N 3.27Å; I573-K575 PolarHBondContact O-N 2.75Å; K575-F577 VanDerWaalsContact C-N 3.28Å; K575-D613 WeakPolarHBondContact CG-OD2 3.4Å; K575-D613 PolarHBondContact N-OD2 3.22Å
576	G	88.4	Confident	92.6	Very high	1 Å²	1	46 Å²	46	1%	0.01	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.1	-12.4	175.3	0	0	0	0	0	113.6	I573 G574	I573-G576 PolarHBondContact O-N 3.41Å; G574-G576 PolarHBondContact O-N 3.47Å
577	F	91.6	Very high	92.5	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.075	26%	0.258	C	S	.	.	S	Bend	trans	-86.8	144.7	-179.2	-62.4	-43	0	0	0	112.9	Y572 G574 K575 P579 N583 L595 L602	Y572-F577 HydrophobicContact CD1-CE1 4.17Å; Y572-F577 HydrophobicContact CD1-CZ 4.23Å; Y572-F577 HydrophobicContact CG-CZ 4.39Å; G574-F577 PolarHBondContact O-N 3.09Å; K575-F577 VanDerWaalsContact C-N 3.28Å; F577-P579 WeakPolarHBondContact O-CD 3.3Å; F577-N583 HydrophobicContact CD1-CB 4.33Å; F577-N583 VanDerWaalsContact CD1-CG 3.49Å; F577-N583 VanDerWaalsContact CD1-ND2 3.28Å; F577-N583 WeakPolarHBondContact CD1-ND2 3.25Å; F577-N583 HydrophobicContact CE1-CB 4.02Å; F577-N583 WeakPolarHBondContact CG-ND2 3.43Å; F577-N583 HydrophobicContact CZ-CB 4.33Å; F577-L595 HydrophobicContact CE2-CB 3.82Å; F577-L595 HydrophobicContact CE2-CD1 3.83Å; F577-L595 HydrophobicContact CZ-CB 4.14Å; F577-L595 HydrophobicContact CZ-CD1 3.75Å; F577-L602 HydrophobicContact CD2-CD1 3.99Å; F577-L602 HydrophobicContact CE2-CD1 3.92Å
578	E	90.1	Very high	92.3	Very high	89 Å²	89	48 Å²	48	42%	0.416	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-64.3	125.5	168.3	-171.2	175	179.7	0	0	110.1	T464 G580 V581	T464-E578 HydrophobicContact CG2-CB 4.5Å; E578-G580 PolarHBondContact O-N 3.12Å; E578-V581 HydrophobicContact CB-CB 4.19Å; E578-V581 HydrophobicContact CB-CG2 3.84Å; E578-V581 HydrophobicContact CG-CG2 3.79Å; E578-V581 PolarHBondContact O-N 3.41Å
579	P	89.2	Confident	92.1	Very high	109 Å²	109	49 Å²	49	71%	0.708	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.6	-178.4	-27.2	35	0	0	0	112.4	F577 V581 G597	F577-P579 WeakPolarHBondContact O-CD 3.3Å; P579-V581 VanDerWaalsContact C-N 3.28Å; P579-V581 PolarHBondContact O-N 3.23Å; P579-G597 WeakPolarHBondContact CA-O 3.45Å
580	G	89	Confident	91.8	Very high	40 Å²	40	47.6 Å²	47.6	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-7.2	177.6	0	0	0	0	0	115.5	E578 K596 G597	E578-G580 PolarHBondContact O-N 3.12Å; G580-K596 WeakPolarHBondContact O-CE 3.35Å; G580-G597 PolarHBondContact N-O 2.03Å
581	V	92.5	Very high	91.7	Very high	57 Å²	57	48 Å²	48	35%	0.345	27%	0.27	S	S	.	.			trans	-89.6	130	177.9	-179	0	0	0	0	110.6	E578 P579 N583	E578-V581 HydrophobicContact CB-CB 4.19Å; E578-V581 HydrophobicContact CB-CG2 3.84Å; E578-V581 HydrophobicContact CG-CG2 3.79Å; E578-V581 PolarHBondContact O-N 3.41Å; P579-V581 VanDerWaalsContact C-N 3.28Å; P579-V581 PolarHBondContact O-N 3.23Å; V581-N583 PolarHBondContact O-ND2 2.91Å
582	T	93.9	Very high	91.6	Very high	70 Å²	70	53.5 Å²	53.5	43%	0.429	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.8	173.7	-55.6	0	0	0	0	110.1	Y594 L595	T582-Y594 HydrophobicContact CG2-CD1 3.97Å; T582-Y594 HydrophobicContact CG2-CG 4.43Å; T582-L595 CarbonylContact C-O 3.51Å; T582-L595 WeakPolarHBondContact CA-O 3.28Å
583	N	93.8	Very high	91.6	Very high	43 Å²	43	50.3 Å²	50.3	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.4	174.7	-63.7	-87.3	0	0	0	109.3	F577 V581 Y594 L595	F577-N583 HydrophobicContact CD1-CB 4.33Å; F577-N583 VanDerWaalsContact CD1-CG 3.49Å; F577-N583 VanDerWaalsContact CD1-ND2 3.28Å; F577-N583 WeakPolarHBondContact CD1-ND2 3.25Å; F577-N583 HydrophobicContact CE1-CB 4.02Å; F577-N583 WeakPolarHBondContact CG-ND2 3.43Å; F577-N583 HydrophobicContact CZ-CB 4.33Å; V581-N583 PolarHBondContact O-ND2 2.91Å; N583-Y594 WeakPolarHBondContact O-CA 3.35Å; N583-L595 HydrophobicContact CB-CB 4.38Å; N583-L595 PolarHBondContact N-O 3.17Å; N583-L595 PolarHBondContact O-N 3Å
584	I	94.9	Very high	91.7	Very high	102 Å²	102	55 Å²	55	52%	0.523	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.2	-179.9	-53.3	177.8	0	0	0	107.4	K592 Y594	I584-K592 HydrophobicContact CG2-CB 4.02Å; I584-K592 HydrophobicContact CG2-CD 3.75Å; I584-K592 HydrophobicContact CG2-CG 3.93Å; I584-Y594 HydrophobicContact CD1-CD1 4.5Å; I584-Y594 HydrophobicContact CD1-CE1 4.07Å; I584-Y594 HydrophobicContact CG1-CD1 3.87Å; I584-Y594 HydrophobicContact CG1-CE1 3.87Å; I584-Y594 HydrophobicContact CG2-CD1 4.47Å; I584-Y594 HydrophobicContact CG2-CE1 4.11Å
585	L	94.2	Very high	91.9	Very high	18 Å²	18	54.5 Å²	54.5	9%	0.094	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	155.2	178.1	-52.9	-175.1	0	0	0	110.7	T568 Y572 K592 I593 L595	T568-L585 HydrophobicContact CG2-CB 3.99Å; T568-L585 HydrophobicContact CG2-CD1 4.05Å; Y572-L585 HydrophobicContact CD1-CD1 3.89Å; Y572-L585 HydrophobicContact CD1-CD2 4.07Å; Y572-L585 HydrophobicContact CD2-CD1 3.46Å; Y572-L585 VanDerWaalsContact CD2-CD1 3.46Å; Y572-L585 HydrophobicContact CE1-CD1 4.11Å; Y572-L585 HydrophobicContact CE1-CD2 3.63Å; Y572-L585 HydrophobicContact CE2-CD1 3.71Å; Y572-L585 HydrophobicContact CE2-CD2 4.26Å; Y572-L585 HydrophobicContact CG-CD1 3.56Å; L585-K592 CarbonylContact O-C 3.48Å; L585-K592 VanDerWaalsContact O-CA 3.27Å; L585-K592 WeakPolarHBondContact O-CA 3.18Å; L585-I593 HydrophobicContact CB-CG2 3.8Å; L585-I593 PolarHBondContact N-O 3.28Å; L585-I593 PolarHBondContact O-N 2.85Å; L585-L595 HydrophobicContact CD1-CD1 3.37Å; L585-L595 HydrophobicContact CD1-CG 4.16Å; L585-L595 HydrophobicContact CG-CD1 4.22Å
586	K	93.8	Very high	92.1	Very high	145 Å²	145	53.5 Å²	53.5	63%	0.63	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.4	174.5	-171.3	178.7	-179.5	-177.6	0	109	P569 G590	P569-K586 WeakPolarHBondContact CD-O 3.45Å; K586-G590 WeakPolarHBondContact CE-O 3.44Å; K586-G590 WeakPolarHBondContact CG-O 3.4Å
587	T	93.7	Very high	92.2	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.025	29%	0.294	C	S	.	.			trans	-68.6	163.3	176.5	63.3	0	0	0	0	111.1	Y565 L567 Q589 G590 S591 I593	Y565-T587 HydrophobicContact CD2-CG2 3.72Å; Y565-T587 HydrophobicContact CE2-CG2 3.83Å; Y565-T587 HydrophobicContact CG-CG2 4.46Å; Y565-T587 VanDerWaalsContact O-CG2 3.23Å; Y565-T587 WeakPolarHBondContact O-CG2 3Å; L567-T587 CarbonylContact O-C 3.51Å; L567-T587 WeakPolarHBondContact O-CA 3.47Å; L567-T587 WeakPolarHBondContact O-CB 3.32Å; T587-Q589 PolarHBondContact O-N 2.94Å; T587-G590 WeakPolarHBondContact O-CA 3.23Å; T587-G590 PolarHBondContact O-N 3.49Å; T587-G590 PolarHBondContact OG1-N 2.81Å; T587-S591 WeakPolarHBondContact CG2-O 3.44Å; T587-S591 PolarHBondContact N-O 3.14Å; T587-S591 PolarHBondContact OG1-N 3.27Å; T587-S591 PolarHBondContact OG1-O 3.33Å; T587-I593 HydrophobicContact CG2-CB 3.68Å; T587-I593 HydrophobicContact CG2-CD1 4.38Å; T587-I593 HydrophobicContact CG2-CG2 3.63Å
588	T	90.3	Very high	92	Very high	44 Å²	44	55.4 Å²	55.4	27%	0.27	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.8	173.4	-53.9	0	0	0	0	111.5	L564 L567 G590	L564-T588 HydrophobicContact CD2-CG2 3.82Å; L567-T588 PolarHBondContact O-N 2.04Å; L567-T588 PolarHBondContact O-OG1 3.29Å; T588-G590 PolarHBondContact O-N 3.34Å
589	Q	89.4	Confident	91.7	Very high	23 Å²	23	58.1 Å²	58.1	11%	0.107	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.2	170.9	-168.7	-72	-38.4	0	0	112.5	N561 L564 T587 S591 I664	N561-Q589 HydrophobicContact CB-CG 4.39Å; N561-Q589 VanDerWaalsContact O-CG 3.23Å; N561-Q589 WeakPolarHBondContact O-CG 3.44Å; N561-Q589 PolarHBondContact OD1-NE2 3.08Å; L564-Q589 HydrophobicContact CB-CB 3.89Å; L564-Q589 PolarHBondContact O-N 2.91Å; T587-Q589 PolarHBondContact O-N 2.94Å; Q589-S591 PolarHBondContact OE1-OG 3.45Å; Q589-I664 HydrophobicContact CB-CD1 4.29Å; Q589-I664 HydrophobicContact CG-CD1 3.93Å
590	G	87.1	Confident	91.3	Very high	34 Å²	34	61.1 Å²	61.1	35%	0.351	33%	0.327	S	S	.	.	S	Bend	trans	112.9	-23.4	177	0	0	0	0	0	114.1	K586 T587 T588	K586-G590 WeakPolarHBondContact CE-O 3.44Å; K586-G590 WeakPolarHBondContact CG-O 3.4Å; T587-G590 WeakPolarHBondContact O-CA 3.23Å; T587-G590 PolarHBondContact O-N 3.49Å; T587-G590 PolarHBondContact OG1-N 2.81Å; T588-G590 PolarHBondContact O-N 3.34Å
591	S	90.6	Very high	91.2	Very high	29 Å²	29	61.8 Å²	61.8	20%	0.203	32%	0.322	C	S	.	.	S	Bend	trans	-70.5	157.1	173.6	-61.8	0	0	0	0	112	T587 Q589	T587-S591 WeakPolarHBondContact CG2-O 3.44Å; T587-S591 PolarHBondContact N-O 3.14Å; T587-S591 PolarHBondContact OG1-N 3.27Å; T587-S591 PolarHBondContact OG1-O 3.33Å; Q589-S591 PolarHBondContact OE1-OG 3.45Å
592	K	93.8	Very high	91.2	Very high	127 Å²	127	59.1 Å²	59.1	55%	0.552	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	144	178.2	-65.7	170.9	178.4	178.9	0	111.1	Y565 I584 L585 Y594	Y565-K592 WeakPolarHBondContact CE2-O 3.44Å; Y565-K592 PolarHBondContact OH-O 2.95Å; I584-K592 HydrophobicContact CG2-CB 4.02Å; I584-K592 HydrophobicContact CG2-CD 3.75Å; I584-K592 HydrophobicContact CG2-CG 3.93Å; L585-K592 CarbonylContact O-C 3.48Å; L585-K592 VanDerWaalsContact O-CA 3.27Å; L585-K592 WeakPolarHBondContact O-CA 3.18Å; K592-Y594 HydrophobicContact CB-CE2 4.44Å
593	I	94.6	Very high	91.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.3	169.2	-166.8	162.6	0	0	0	108.7	F534 L585 T587 L595 V604 L628	F534-I593 HydrophobicContact CD2-CD1 3.65Å; F534-I593 HydrophobicContact CE2-CD1 3.62Å; F534-I593 HydrophobicContact CG-CD1 4.34Å; F534-I593 HydrophobicContact CZ-CD1 4.27Å; L585-I593 HydrophobicContact CB-CG2 3.8Å; L585-I593 PolarHBondContact N-O 3.28Å; L585-I593 PolarHBondContact O-N 2.85Å; T587-I593 HydrophobicContact CG2-CB 3.68Å; T587-I593 HydrophobicContact CG2-CD1 4.38Å; T587-I593 HydrophobicContact CG2-CG2 3.63Å; I593-L595 HydrophobicContact CG1-CD2 4.49Å; I593-V604 HydrophobicContact CD1-CG1 3.7Å; I593-V604 HydrophobicContact CG1-CG1 3.95Å; I593-L628 HydrophobicContact CD1-CD1 4Å
594	Y	94.6	Very high	91.2	Very high	99 Å²	99	55.2 Å²	55.2	39%	0.388	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.2	-172.6	-59.5	-86.9	0	0	0	109.8	T582 N583 I584 K592 V604 N605	T582-Y594 HydrophobicContact CG2-CD1 3.97Å; T582-Y594 HydrophobicContact CG2-CG 4.43Å; N583-Y594 WeakPolarHBondContact O-CA 3.35Å; I584-Y594 HydrophobicContact CD1-CD1 4.5Å; I584-Y594 HydrophobicContact CD1-CE1 4.07Å; I584-Y594 HydrophobicContact CG1-CD1 3.87Å; I584-Y594 HydrophobicContact CG1-CE1 3.87Å; I584-Y594 HydrophobicContact CG2-CD1 4.47Å; I584-Y594 HydrophobicContact CG2-CE1 4.11Å; K592-Y594 HydrophobicContact CB-CE2 4.44Å; Y594-V604 CarbonylContact O-C 3.57Å; Y594-V604 WeakPolarHBondContact O-CA 3.3Å; Y594-N605 WeakPolarHBondContact CD2-OD1 3.19Å; Y594-N605 PolarHBondContact N-OD1 3.41Å; Y594-N605 PolarHBondContact O-N 3.33Å
595	L	95.1	Very high	91.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133	-179.7	-57.7	-174.2	0	0	0	111.2	F534 F577 T582 N583 L585 I593 L602 L603 V604	F534-L595 HydrophobicContact CE1-CD1 4.42Å; F534-L595 HydrophobicContact CE1-CD2 3.59Å; F534-L595 HydrophobicContact CE2-CD2 4.46Å; F534-L595 HydrophobicContact CZ-CD1 3.82Å; F534-L595 HydrophobicContact CZ-CD2 3.46Å; F534-L595 VanDerWaalsContact CZ-CD2 3.46Å; F534-L595 HydrophobicContact CZ-CG 4.21Å; F577-L595 HydrophobicContact CE2-CB 3.82Å; F577-L595 HydrophobicContact CE2-CD1 3.83Å; F577-L595 HydrophobicContact CZ-CB 4.14Å; F577-L595 HydrophobicContact CZ-CD1 3.75Å; T582-L595 CarbonylContact C-O 3.51Å; T582-L595 WeakPolarHBondContact CA-O 3.28Å; N583-L595 HydrophobicContact CB-CB 4.38Å; N583-L595 PolarHBondContact N-O 3.17Å; N583-L595 PolarHBondContact O-N 3Å; L585-L595 HydrophobicContact CD1-CD1 3.37Å; L585-L595 HydrophobicContact CD1-CG 4.16Å; L585-L595 HydrophobicContact CG-CD1 4.22Å; I593-L595 HydrophobicContact CG1-CD2 4.49Å; L595-L602 HydrophobicContact CB-CD1 4.29Å; L595-L603 CarbonylContact C-O 3.37Å; L595-L603 VanDerWaalsContact CA-O 3.31Å; L595-L603 WeakPolarHBondContact CA-O 3.46Å; L595-V604 HydrophobicContact CD2-CB 4.09Å; L595-V604 HydrophobicContact CD2-CG1 3.79Å; L595-V604 HydrophobicContact CD2-CG2 3.79Å
596	K	93.4	Very high	90.9	Very high	72 Å²	72	59.4 Å²	59.4	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	117.8	179.8	-175.4	-177	175.6	162.4	0	110.4	G580 V598 L603	G580-K596 WeakPolarHBondContact O-CE 3.35Å; K596-V598 HydrophobicContact CD-CG2 3.98Å; K596-V598 HydrophobicContact CG-CG2 3.82Å; K596-L603 HydrophobicContact CB-CB 4.23Å; K596-L603 HydrophobicContact CB-CD1 4.48Å; K596-L603 HydrophobicContact CD-CD1 4.32Å; K596-L603 PolarHBondContact N-O 3.04Å; K596-L603 WeakPolarHBondContact O-CB 3.4Å; K596-L603 PolarHBondContact O-N 3.2Å
597	G	90.5	Very high	90.7	Very high	10 Å²	10	53.4 Å²	53.4	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.1	171.4	0	0	0	0	0	110.7	P579 G580	P579-G597 WeakPolarHBondContact CA-O 3.45Å; G580-G597 PolarHBondContact N-O 2.03Å
598	V	88.3	Confident	90.6	Very high	48 Å²	48	60.2 Å²	60.2	29%	0.291	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.3	175.5	-174.6	0	0	0	0	109.2	K596 E600 T601 L603	K596-V598 HydrophobicContact CD-CG2 3.98Å; K596-V598 HydrophobicContact CG-CG2 3.82Å; V598-E600 VanDerWaalsContact C-N 3.29Å; V598-E600 PolarHBondContact O-N 3.3Å; V598-T601 PolarHBondContact N-O 2.88Å; V598-T601 WeakPolarHBondContact O-CA 3.34Å; V598-T601 WeakPolarHBondContact O-CB 3.41Å; V598-T601 PolarHBondContact O-N 3.06Å; V598-T601 VanDerWaalsContact O-O 3.12Å; V598-L603 HydrophobicContact CB-CD1 4.32Å; V598-L603 HydrophobicContact CG2-CD1 3.77Å
599	N	83.5	Confident	90.7	Very high	147 Å²	147	58.6 Å²	58.6	79%	0.786	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	50.4	178.2	-61.1	-11.6	0	0	0	112.5	T601	N599-T601 PolarHBondContact O-N 3.38Å; N599-T601 PolarHBondContact O-OG1 3.43Å
600	E	79.4	Confident	90.7	Very high	172 Å²	172	62.7 Å²	62.7	80%	0.804	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	10	-179	-53.1	-175.2	159.9	0	0	115	R489 V598	R489-E600 IonicContact NH1-OE1 2.91Å; V598-E600 VanDerWaalsContact C-N 3.29Å; V598-E600 PolarHBondContact O-N 3.3Å
601	T	87.9	Confident	91	Very high	53 Å²	53	64.6 Å²	64.6	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.4	173.2	-48.1	0	0	0	0	109.7	V598 N599 K608	V598-T601 PolarHBondContact N-O 2.88Å; V598-T601 WeakPolarHBondContact O-CA 3.34Å; V598-T601 WeakPolarHBondContact O-CB 3.41Å; V598-T601 PolarHBondContact O-N 3.06Å; V598-T601 VanDerWaalsContact O-O 3.12Å; N599-T601 PolarHBondContact O-N 3.38Å; N599-T601 PolarHBondContact O-OG1 3.43Å; T601-K608 HydrophobicContact CG2-CB 4.33Å; T601-K608 HydrophobicContact CG2-CG 4.36Å
602	L	93.1	Very high	91.1	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.5	172	-177.8	65	0	0	0	110.2	F577 L595 V604 S609 H622	F577-L602 HydrophobicContact CD2-CD1 3.99Å; F577-L602 HydrophobicContact CE2-CD1 3.92Å; L595-L602 HydrophobicContact CB-CD1 4.29Å; L602-V604 HydrophobicContact CD2-CG2 4.37Å; L602-V604 HydrophobicContact CG-CG2 4.28Å; L602-S609 WeakPolarHBondContact O-CB 3.42Å; L602-S609 PolarHBondContact O-N 2.86Å; L602-S609 PolarHBondContact O-OG 3.36Å; L602-H622 HydrophobicContact CD2-CB 4.15Å; L602-H622 VanDerWaalsContact CD2-CG 3.48Å; L602-H622 WeakPolarHBondContact CD2-ND1 3.48Å
603	L	93.7	Very high	91.1	Very high	31 Å²	31	59.6 Å²	59.6	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.5	169.9	-63.8	162.4	0	0	0	109.3	L595 K596 V598 L607 K608	L595-L603 CarbonylContact C-O 3.37Å; L595-L603 VanDerWaalsContact CA-O 3.31Å; L595-L603 WeakPolarHBondContact CA-O 3.46Å; K596-L603 HydrophobicContact CB-CB 4.23Å; K596-L603 HydrophobicContact CB-CD1 4.48Å; K596-L603 HydrophobicContact CD-CD1 4.32Å; K596-L603 PolarHBondContact N-O 3.04Å; K596-L603 WeakPolarHBondContact O-CB 3.4Å; K596-L603 PolarHBondContact O-N 3.2Å; V598-L603 HydrophobicContact CB-CD1 4.32Å; V598-L603 HydrophobicContact CG2-CD1 3.77Å; L603-L607 CarbonylContact C-O 3.54Å; L603-L607 VanDerWaalsContact CA-O 3.23Å; L603-L607 WeakPolarHBondContact CA-O 3.47Å; L603-K608 HydrophobicContact CD2-CB 4.25Å; L603-K608 HydrophobicContact CD2-CG 3.42Å; L603-K608 VanDerWaalsContact CD2-CG 3.42Å
604	V	94	Very high	91.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.3	177.5	-172.9	0	0	0	0	108.1	F534 I593 Y594 L595 L602 E606 L607 V624 L628	F534-V604 HydrophobicContact CD1-CB 4.37Å; F534-V604 HydrophobicContact CD1-CG1 3.84Å; F534-V604 HydrophobicContact CD1-CG2 3.66Å; F534-V604 HydrophobicContact CE1-CB 4.43Å; F534-V604 HydrophobicContact CE1-CG1 3.94Å; F534-V604 HydrophobicContact CE1-CG2 3.57Å; F534-V604 HydrophobicContact CG-CG1 4.27Å; F534-V604 HydrophobicContact CZ-CG1 4.47Å; I593-V604 HydrophobicContact CD1-CG1 3.7Å; I593-V604 HydrophobicContact CG1-CG1 3.95Å; Y594-V604 CarbonylContact O-C 3.57Å; Y594-V604 WeakPolarHBondContact O-CA 3.3Å; L595-V604 HydrophobicContact CD2-CB 4.09Å; L595-V604 HydrophobicContact CD2-CG1 3.79Å; L595-V604 HydrophobicContact CD2-CG2 3.79Å; L602-V604 HydrophobicContact CD2-CG2 4.37Å; L602-V604 HydrophobicContact CG-CG2 4.28Å; V604-E606 PolarHBondContact O-N 3.26Å; V604-L607 PolarHBondContact N-O 3.43Å; V604-L607 VanDerWaalsContact O-CB 3.24Å; V604-L607 WeakPolarHBondContact O-CB 3.48Å; V604-L607 PolarHBondContact O-N 3.29Å; V604-V624 HydrophobicContact CG2-CG1 4.37Å; V604-L628 HydrophobicContact CG1-CD1 3.66Å; V604-L628 HydrophobicContact CG1-CD2 4.34Å
605	N	92.2	Very high	91.1	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.139	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	44.4	-170.3	-64.8	-13.2	0	0	0	112.2	Y565 Y594 L607	Y565-N605 PolarHBondContact OH-ND2 3.19Å; Y594-N605 WeakPolarHBondContact CD2-OD1 3.19Å; Y594-N605 PolarHBondContact N-OD1 3.41Å; Y594-N605 PolarHBondContact O-N 3.33Å; N605-L607 PolarHBondContact O-N 2.91Å
606	E	89.1	Confident	91.2	Very high	183 Å²	183	57.7 Å²	57.7	86%	0.855	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	2.9	-176.1	-49.2	-174.9	158	0	0	115.7	V604	V604-E606 PolarHBondContact O-N 3.26Å
607	L	90.9	Very high	91.3	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.9	173.9	-57.2	173.5	0	0	0	110.8	L603 V604 N605 S609 K626 L628 Y650	L603-L607 CarbonylContact C-O 3.54Å; L603-L607 VanDerWaalsContact CA-O 3.23Å; L603-L607 WeakPolarHBondContact CA-O 3.47Å; V604-L607 PolarHBondContact N-O 3.43Å; V604-L607 VanDerWaalsContact O-CB 3.24Å; V604-L607 WeakPolarHBondContact O-CB 3.48Å; V604-L607 PolarHBondContact O-N 3.29Å; N605-L607 PolarHBondContact O-N 2.91Å; L607-S609 PolarHBondContact O-N 2.89Å; L607-K626 HydrophobicContact CD1-CB 4.25Å; L607-K626 HydrophobicContact CD1-CD 4.07Å; L607-K626 HydrophobicContact CD2-CD 3.93Å; L607-L628 HydrophobicContact CD1-CD2 3.84Å; L607-Y650 HydrophobicContact CD1-CD1 3.98Å; L607-Y650 HydrophobicContact CD1-CD2 3.97Å; L607-Y650 HydrophobicContact CD1-CE1 3.76Å; L607-Y650 HydrophobicContact CD1-CE2 3.81Å; L607-Y650 HydrophobicContact CD1-CG 4.09Å; L607-Y650 HydrophobicContact CD2-CD1 4.45Å; L607-Y650 HydrophobicContact CD2-CD2 4.09Å; L607-Y650 HydrophobicContact CD2-CG 3.98Å; L607-Y650 HydrophobicContact CG-CD2 4.26Å; L607-Y650 HydrophobicContact CG-CE2 4.44Å; L607-Y650 HydrophobicContact CG-CG 4.49Å
608	K	91.3	Very high	91.4	Very high	148 Å²	148	57.3 Å²	57.3	64%	0.643	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.9	176.2	-68.6	-179.8	179.2	-173.8	0	110.6	T601 L603	T601-K608 HydrophobicContact CG2-CB 4.33Å; T601-K608 HydrophobicContact CG2-CG 4.36Å; L603-K608 HydrophobicContact CD2-CB 4.25Å; L603-K608 HydrophobicContact CD2-CG 3.42Å; L603-K608 VanDerWaalsContact CD2-CG 3.42Å
609	S	92	Very high	91.8	Very high	10 Å²	10	55 Å²	55	7%	0.07	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.9	147.1	165.8	66.5	0	0	0	0	110.2	L602 L607 V623	L602-S609 WeakPolarHBondContact O-CB 3.42Å; L602-S609 PolarHBondContact O-N 2.86Å; L602-S609 PolarHBondContact O-OG 3.36Å; L607-S609 PolarHBondContact O-N 2.89Å; S609-V623 CarbonylContact C-O 3.46Å; S609-V623 VanDerWaalsContact CA-O 3.32Å; S609-V623 WeakPolarHBondContact CA-O 3.42Å; S609-V623 WeakPolarHBondContact CB-O 3.43Å
610	K	90.6	Very high	92.4	Very high	108 Å²	108	48 Å²	48	47%	0.47	24%	0.238	S	C	.	.	S	Bend	trans	-76.4	-46.1	173.8	-76	-175.9	173.1	175.2	0	110.9	D539 V623 D625	D539-K610 IonicContact OD2-NZ 2.79Å; D539-K610 PolarHBondContact OD2-NZ 2.93Å; K610-V623 HydrophobicContact CB-CG1 4.27Å; K610-V623 PolarHBondContact N-O 3.47Å; K610-D625 HydrophobicContact CD-CB 4.34Å; K610-D625 HydrophobicContact CG-CB 4.39Å
611	E	92.4	Very high	93.2	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.35	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.3	177.8	-67.1	161.9	-139.3	0	0	107.1	R508 I614 V623	R508-E611 IonicContact CZ-OE1 2.92Å; R508-E611 IonicContact NH1-OE1 2.69Å; R508-E611 PolarHBondContact NH1-OE1 3.22Å; R508-E611 IonicContact NH2-OE1 2.8Å; R508-E611 PolarHBondContact NH2-OE1 3.38Å; R508-E611 IonicContact NH2-OE2 2.83Å; R508-E611 PolarHBondContact NH2-OE2 2.93Å; E611-I614 HydrophobicContact CB-CD1 4.26Å; E611-V623 HydrophobicContact CB-CB 3.97Å; E611-V623 HydrophobicContact CB-CG2 3.85Å; E611-V623 PolarHBondContact O-N 2.96Å
612	S	93.2	Very high	93.7	Very high	34 Å²	34	37.3 Å²	37.3	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.3	177.9	53.6	0	0	0	0	110.2	I614 H622	S612-I614 VanDerWaalsContact C-N 3.33Å; S612-I614 PolarHBondContact O-N 2.73Å; S612-H622 WeakPolarHBondContact CB-ND1 3.38Å
613	D	93.4	Very high	93.8	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.1	32.3	173.3	-53.1	-28.6	0	0	0	114.3	I573 G574 K575 M615 H622	I573-D613 WeakPolarHBondContact CA-OD1 3.34Å; I573-D613 WeakPolarHBondContact CB-OD1 3.45Å; I573-D613 HydrophobicContact CG2-CB 4.5Å; G574-D613 PolarHBondContact N-OD1 2.83Å; K575-D613 WeakPolarHBondContact CG-OD2 3.4Å; K575-D613 PolarHBondContact N-OD2 3.22Å; D613-M615 PolarHBondContact O-N 3.43Å; D613-H622 PolarHBondContact N-CE1 3.38Å; D613-H622 PolarHBondContact N-ND1 2.89Å; D613-H622 VanDerWaalsContact N-ND1 3.17Å; D613-H622 IonicContact OD1-CE1 2.73Å; D613-H622 PolarHBondContact OD1-CE1 3.43Å; D613-H622 VanDerWaalsContact OD1-CE1 3.25Å; D613-H622 IonicContact OD1-ND1 2.61Å
614	I	95.1	Very high	93.9	Very high	33 Å²	33	35.9 Å²	35.9	17%	0.169	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	98.3	173	-57.1	175.3	0	0	0	108.3	K502 E611 S612 V620 I621 V623	K502-I614 HydrophobicContact CD-CG2 4.36Å; K502-I614 HydrophobicContact CG-CG2 4.08Å; E611-I614 HydrophobicContact CB-CD1 4.26Å; S612-I614 VanDerWaalsContact C-N 3.33Å; S612-I614 PolarHBondContact O-N 2.73Å; I614-V620 WeakPolarHBondContact O-CA 3.43Å; I614-I621 HydrophobicContact CB-CB 4.07Å; I614-I621 WeakPolarHBondContact CB-O 3.28Å; I614-I621 HydrophobicContact CG2-CB 4.48Å; I614-I621 PolarHBondContact N-O 3.43Å; I614-I621 VanDerWaalsContact N-O 3.08Å; I614-I621 PolarHBondContact O-N 3.23Å; I614-V623 HydrophobicContact CD1-CG2 3.59Å
615	M	95.3	Very high	93.7	Very high	25 Å²	25	38.5 Å²	38.5	12%	0.123	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.8	-177.1	-61.6	-55.7	-66.4	0	0	112.8	F460 N470 A495 V571 I573 D613 V620	F460-M615 HydrophobicContact CE2-CE 3.7Å; F460-M615 HydrophobicContact CZ-CE 4Å; N470-M615 HydrophobicContact CB-CG 3.73Å; A495-M615 HydrophobicContact CB-CB 4.12Å; V571-M615 HydrophobicContact CG1-CE 4.3Å; I573-M615 HydrophobicContact CG2-SD 3.66Å; D613-M615 PolarHBondContact O-N 3.43Å; M615-V620 HydrophobicContact SD-CB 4.23Å; M615-V620 HydrophobicContact SD-CG2 4.02Å
616	T	96.2	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.3	172.7	70.2	0	0	0	0	110.3	R458 A495 K497 L499 K502 N618 G619 I621	R458-T616 VanDerWaalsContact CZ-O 3.27Å; R458-T616 PolarHBondContact NH1-O 3.04Å; R458-T616 PolarHBondContact NH2-O 2.87Å; A495-T616 WeakPolarHBondContact CB-O 3.26Å; K497-T616 CarbonylContact O-C 3.4Å; K497-T616 WeakPolarHBondContact O-CA 3.34Å; K497-T616 WeakPolarHBondContact O-CB 3.28Å; L499-T616 HydrophobicContact CD2-CG2 3.91Å; L499-T616 VanDerWaalsContact CD2-OG1 3.29Å; L499-T616 WeakPolarHBondContact CD2-OG1 3.4Å; L499-T616 HydrophobicContact CG-CG2 4.46Å; L499-T616 WeakPolarHBondContact CG-OG1 3.45Å; K502-T616 HydrophobicContact CB-CG2 4.03Å; K502-T616 HydrophobicContact CG-CG2 4.31Å; T616-N618 PolarHBondContact O-N 2.85Å; T616-N618 PolarHBondContact OG1-OD1 3.32Å; T616-G619 CarbonylContact C-O 3.58Å; T616-G619 PolarHBondContact N-O 3.25Å; T616-G619 PolarHBondContact O-N 3.41Å; T616-G619 WeakPolarHBondContact OG1-CA 3.43Å; T616-G619 PolarHBondContact OG1-N 3.31Å; T616-G619 PolarHBondContact OG1-O 2.75Å; T616-G619 VanDerWaalsContact OG1-O 3.04Å; T616-I621 HydrophobicContact CG2-CD1 3.98Å; T616-I621 HydrophobicContact CG2-CG1 4.2Å
617	T	94.9	Very high	93.7	Very high	72 Å²	72	32.2 Å²	32.2	44%	0.442	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.3	-176.7	52.7	0	0	0	0	113.1	R458 A495 K497 S498	R458-T617 PolarHBondContact NH1-O 2.85Å; A495-T617 HydrophobicContact CB-CG2 4.47Å; A495-T617 WeakPolarHBondContact O-CG2 3.09Å; K497-T617 PolarHBondContact O-N 3.25Å; K497-T617 PolarHBondContact O-OG1 3.5Å; S498-T617 WeakPolarHBondContact CA-OG1 3.49Å; S498-T617 PolarHBondContact N-OG1 2.91Å
618	N	94.2	Very high	93.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	18.9	-179.5	63.4	-19.9	0	0	0	113.6	S498 L499 L525 Q527 G529 W531 T616	S498-N618 WeakPolarHBondContact CA-OD1 3.36Å; L499-N618 WeakPolarHBondContact CG-OD1 3.43Å; L499-N618 PolarHBondContact N-OD1 3.25Å; L525-N618 PolarHBondContact O-ND2 3.43Å; Q527-N618 WeakPolarHBondContact O-CB 3.46Å; Q527-N618 PolarHBondContact O-ND2 3.24Å; G529-N618 CarbonylContact C-O 3.44Å; G529-N618 CarbonylContact O-C 3.18Å; G529-N618 WeakPolarHBondContact O-CA 3.5Å; G529-N618 WeakPolarHBondContact O-CB 3.48Å; W531-N618 PolarHBondContact N-O 3.36Å; T616-N618 PolarHBondContact O-N 2.85Å; T616-N618 PolarHBondContact OG1-OD1 3.32Å
619	G	95.2	Very high	93.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-158.7	177.7	0	0	0	0	0	116.3	W531 T616	W531-G619 CarbonylContact O-C 3.6Å; W531-G619 WeakPolarHBondContact O-CA 3.31Å; T616-G619 CarbonylContact C-O 3.58Å; T616-G619 PolarHBondContact N-O 3.25Å; T616-G619 PolarHBondContact O-N 3.41Å; T616-G619 WeakPolarHBondContact OG1-CA 3.43Å; T616-G619 PolarHBondContact OG1-N 3.31Å; T616-G619 PolarHBondContact OG1-O 2.75Å; T616-G619 VanDerWaalsContact OG1-O 3.04Å
620	V	96.7	Very high	93.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.4	172.9	62.4	0	0	0	0	110	W531 T532 L533 V571 I573 I614 M615	W531-V620 PolarHBondContact O-N 2.85Å; T532-V620 HydrophobicContact CG2-CG1 3.95Å; T532-V620 WeakPolarHBondContact OG1-CG1 3.46Å; L533-V620 PolarHBondContact N-O 2.98Å; V571-V620 HydrophobicContact CG1-CB 4.04Å; V571-V620 HydrophobicContact CG1-CG1 3.84Å; I573-V620 HydrophobicContact CG2-CG2 4.07Å; I614-V620 WeakPolarHBondContact O-CA 3.43Å; M615-V620 HydrophobicContact SD-CB 4.23Å; M615-V620 HydrophobicContact SD-CG2 4.02Å
621	I	97.1	Very high	93	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.6	175.2	-60.7	173.2	0	0	0	109.9	L499 K502 L503 L533 A535 I614 T616 V623	L499-I621 HydrophobicContact CD2-CD1 3.87Å; L499-I621 HydrophobicContact CD2-CG1 3.37Å; K502-I621 HydrophobicContact CB-CD1 3.96Å; K502-I621 HydrophobicContact CG-CD1 4.03Å; L503-I621 HydrophobicContact CD2-CD1 4.14Å; L503-I621 HydrophobicContact CG-CD1 4.25Å; L533-I621 HydrophobicContact CB-CG1 4.4Å; L533-I621 HydrophobicContact CD2-CG1 4.37Å; L533-I621 CarbonylContact O-C 3.59Å; L533-I621 WeakPolarHBondContact O-CA 3.25Å; A535-I621 HydrophobicContact CB-CG2 3.63Å; I614-I621 HydrophobicContact CB-CB 4.07Å; I614-I621 WeakPolarHBondContact CB-O 3.28Å; I614-I621 HydrophobicContact CG2-CB 4.48Å; I614-I621 PolarHBondContact N-O 3.43Å; I614-I621 VanDerWaalsContact N-O 3.08Å; I614-I621 PolarHBondContact O-N 3.23Å; T616-I621 HydrophobicContact CG2-CD1 3.98Å; T616-I621 HydrophobicContact CG2-CG1 4.2Å; I621-V623 HydrophobicContact CG2-CG2 4.37Å
622	H	96.8	Very high	92.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.1	167	-59.1	-56.7	0	0	0	109.1	L533 F534 A535 Y572 L602 S612 D613	L533-H622 PolarHBondContact O-N 2.86Å; F534-H622 CarbonylContact C-O 3.47Å; F534-H622 VanDerWaalsContact CA-O 3.32Å; F534-H622 WeakPolarHBondContact CA-O 3.35Å; F534-H622 HydrophobicContact CD1-CB 3.74Å; F534-H622 HydrophobicContact CE1-CB 3.97Å; F534-H622 AromaticContact CE1-CD2 3.5Å; F534-H622 VanDerWaalsContact CE1-CD2 3.5Å; F534-H622 WeakPolarHBondContact CE1-CD2 3.47Å; A535-H622 PolarHBondContact N-O 3.09Å; Y572-H622 PolarHBondContact O-CE1 2.83Å; Y572-H622 PolarHBondContact O-NE2 3.38Å; L602-H622 HydrophobicContact CD2-CB 4.15Å; L602-H622 VanDerWaalsContact CD2-CG 3.48Å; L602-H622 WeakPolarHBondContact CD2-ND1 3.48Å; S612-H622 WeakPolarHBondContact CB-ND1 3.38Å; D613-H622 PolarHBondContact N-CE1 3.38Å; D613-H622 PolarHBondContact N-ND1 2.89Å; D613-H622 VanDerWaalsContact N-ND1 3.17Å; D613-H622 IonicContact OD1-CE1 2.73Å; D613-H622 PolarHBondContact OD1-CE1 3.43Å; D613-H622 VanDerWaalsContact OD1-CE1 3.25Å; D613-H622 IonicContact OD1-ND1 2.61Å
623	V	96.7	Very high	92	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122	-175.3	-177.1	0	0	0	0	109.9	F509 A535 T537 S609 K610 E611 I614 I621	F509-V623 HydrophobicContact CE1-CG1 4Å; F509-V623 HydrophobicContact CE1-CG2 4.31Å; F509-V623 HydrophobicContact CZ-CG1 4.09Å; F509-V623 HydrophobicContact CZ-CG2 3.76Å; A535-V623 WeakPolarHBondContact O-CA 3.42Å; T537-V623 HydrophobicContact CG2-CG1 3.52Å; S609-V623 CarbonylContact C-O 3.46Å; S609-V623 VanDerWaalsContact CA-O 3.32Å; S609-V623 WeakPolarHBondContact CA-O 3.42Å; S609-V623 WeakPolarHBondContact CB-O 3.43Å; K610-V623 HydrophobicContact CB-CG1 4.27Å; K610-V623 PolarHBondContact N-O 3.47Å; E611-V623 HydrophobicContact CB-CB 3.97Å; E611-V623 HydrophobicContact CB-CG2 3.85Å; E611-V623 PolarHBondContact O-N 2.96Å; I614-V623 HydrophobicContact CD1-CG2 3.59Å; I621-V623 HydrophobicContact CG2-CG2 4.37Å
624	V	94.2	Very high	91.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.2	179	-62.9	0	0	0	0	111.4	F534 A535 P536 T537 V604 K626	F534-V624 HydrophobicContact CB-CG1 4.4Å; A535-V624 PolarHBondContact O-N 3.43Å; P536-V624 WeakPolarHBondContact CA-O 3.35Å; P536-V624 HydrophobicContact CB-CG2 4.03Å; T537-V624 PolarHBondContact N-O 3.39Å; T537-V624 VanDerWaalsContact N-O 3.07Å; V604-V624 HydrophobicContact CG2-CG1 4.37Å; V624-K626 WeakPolarHBondContact CG2-O 3.36Å
625	D	89.4	Confident	91.3	Very high	54 Å²	54	22.9 Å²	22.9	29%	0.289	13%	0.129	S	C	.	.	S	Bend	trans	-92.6	-8	-178.2	70.6	-23.3	0	0	0	113.3	A540 K610	A540-D625 VanDerWaalsContact CA-O 3.28Å; A540-D625 WeakPolarHBondContact CA-O 3.49Å; A540-D625 VanDerWaalsContact CB-O 3.29Å; A540-D625 WeakPolarHBondContact CB-O 3.41Å; K610-D625 HydrophobicContact CD-CB 4.34Å; K610-D625 HydrophobicContact CG-CB 4.39Å
626	K	89.6	Confident	90.7	Very high	75 Å²	75	22.3 Å²	22.3	33%	0.326	13%	0.13	S	C	.	.	S	Bend	trans	-135.8	153	-175.3	-68.5	167	-172.4	177.7	0	110.6	L607 V624 Y650	L607-K626 HydrophobicContact CD1-CB 4.25Å; L607-K626 HydrophobicContact CD1-CD 4.07Å; L607-K626 HydrophobicContact CD2-CD 3.93Å; V624-K626 WeakPolarHBondContact CG2-O 3.36Å; K626-Y650 HydrophobicContact CB-CD1 4.48Å; K626-Y650 HydrophobicContact CB-CE1 4.34Å; K626-Y650 HydrophobicContact CD-CD1 3.93Å
627	L	91.8	Very high	90.3	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	15%	0.147	C	C	.	.			trans	-71.7	125.3	171.1	-172.9	69.9	0	0	0	109.3	P536 F541 I562 L644 L647 I648 Y650	P536-L627 HydrophobicContact CG-CD1 4.38Å; F541-L627 HydrophobicContact CE1-CD1 3.95Å; F541-L627 HydrophobicContact CZ-CD1 3.98Å; I562-L627 HydrophobicContact CG2-CD1 4.08Å; I562-L627 HydrophobicContact CG2-CD2 4.12Å; I562-L627 HydrophobicContact CG2-CG 4.27Å; L627-L644 HydrophobicContact CD2-CD2 4.34Å; L627-L647 HydrophobicContact CD2-CD1 4Å; L627-I648 HydrophobicContact CB-CG1 4.36Å; L627-I648 HydrophobicContact CD2-CD1 4.32Å; L627-Y650 WeakPolarHBondContact O-CE1 3.4Å; L627-Y650 PolarHBondContact O-OH 2.82Å
628	L	92.3	Very high	89.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.			trans	-83	137.8	178	-55.7	177.4	0	0	0	110.6	F534 Y565 H566 I593 V604 L607 Y650	F534-L628 HydrophobicContact CB-CD1 3.61Å; F534-L628 HydrophobicContact CD2-CD1 4.42Å; F534-L628 HydrophobicContact CG-CD1 3.95Å; Y565-L628 HydrophobicContact CD1-CB 3.89Å; Y565-L628 HydrophobicContact CE1-CB 3.94Å; H566-L628 PolarHBondContact CE1-N 3.36Å; H566-L628 PolarHBondContact CE1-O 2.79Å; H566-L628 WeakPolarHBondContact NE2-CB 3.21Å; H566-L628 PolarHBondContact NE2-N 2.77Å; I593-L628 HydrophobicContact CD1-CD1 4Å; V604-L628 HydrophobicContact CG1-CD1 3.66Å; V604-L628 HydrophobicContact CG1-CD2 4.34Å; L607-L628 HydrophobicContact CD1-CD2 3.84Å; L628-Y650 WeakPolarHBondContact CA-OH 3.35Å
629	Y	90.8	Very high	89.5	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.02	17%	0.174	C	C	.	.			trans	-138.9	139.9	178.5	-169.7	-88.1	0	0	0	111.8	I562 Y565 A631 I633 V635 L644 I648 Y650 I651 I653 F661	I562-Y629 HydrophobicContact CG1-CD2 4.17Å; I562-Y629 HydrophobicContact CG1-CE2 4.07Å; Y565-Y629 VanDerWaalsContact CE1-C 3.49Å; Y629-A631 PolarHBondContact O-N 3.37Å; Y629-I633 WeakPolarHBondContact CE1-O 3.16Å; Y629-I633 PolarHBondContact OH-O 3.13Å; Y629-V635 VanDerWaalsContact OH-CG2 3.25Å; Y629-V635 WeakPolarHBondContact OH-CG2 3.33Å; Y629-L644 HydrophobicContact CD2-CD1 4.4Å; Y629-L644 HydrophobicContact CE2-CD1 3.83Å; Y629-I648 HydrophobicContact CD2-CD1 4.02Å; Y629-I648 HydrophobicContact CG-CD1 3.9Å; Y629-Y650 PolarHBondContact N-OH 2.86Å; Y629-I651 HydrophobicContact CD1-CD1 4.17Å; Y629-I653 HydrophobicContact CE1-CG2 4.26Å; Y629-F661 HydrophobicContact CE2-CE1 4.4Å; Y629-F661 HydrophobicContact CE2-CZ 4.37Å; Y629-F661 WeakPolarHBondContact OH-CZ 3.44Å
630	P	87	Confident	89.1	Confident	6 Å²	6	31.9 Å²	31.9	4%	0.039	18%	0.175	C	C	.	.			trans	-73.9	115.2	177.5	28	-31.6	0	0	0	110.8	Y565 D632 I633	Y565-P630 HydrophobicContact CD2-CB 3.93Å; Y565-P630 HydrophobicContact CD2-CG 4.2Å; Y565-P630 HydrophobicContact CE2-CB 3.79Å; Y565-P630 HydrophobicContact CG-CB 4.39Å; Y565-P630 HydrophobicContact CG-CG 4.28Å; P630-D632 PolarHBondContact O-N 3.43Å; P630-I633 HydrophobicContact CB-CD1 4.03Å; P630-I633 HydrophobicContact CB-CG1 4.02Å; P630-I633 HydrophobicContact CG-CB 4.06Å; P630-I633 HydrophobicContact CG-CD1 3.52Å; P630-I633 HydrophobicContact CG-CG1 3.79Å; P630-I633 PolarHBondContact O-N 3.26Å
631	A	80.7	Confident	88.7	Confident	47 Å²	47	33.3 Å²	33.3	39%	0.388	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.6	-175.6	0	0	0	0	0	115	Y629 K654	Y629-A631 PolarHBondContact O-N 3.37Å; A631-K654 WeakPolarHBondContact O-CD 3.47Å; A631-K654 WeakPolarHBondContact O-CE 3.38Å
632	D	81.1	Confident	88.2	Confident	120 Å²	120	38.5 Å²	38.5	64%	0.642	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.7	-176.3	-67.4	-39.1	0	0	0	114.8	P630 P634 K654	P630-D632 PolarHBondContact O-N 3.43Å; D632-P634 WeakPolarHBondContact O-CD 3.29Å; D632-K654 IonicContact OD1-NZ 3.23Å; D632-K654 PolarHBondContact OD1-NZ 3.44Å
633	I	83.6	Confident	87.8	Confident	30 Å²	30	38.7 Å²	38.7	15%	0.154	21%	0.207	C	C	.	.	S	Bend	trans	-97.2	114.9	-178.6	-56.8	-171.4	0	0	0	109.9	Y629 P630 F661	Y629-I633 WeakPolarHBondContact CE1-O 3.16Å; Y629-I633 PolarHBondContact OH-O 3.13Å; P630-I633 HydrophobicContact CB-CD1 4.03Å; P630-I633 HydrophobicContact CB-CG1 4.02Å; P630-I633 HydrophobicContact CG-CB 4.06Å; P630-I633 HydrophobicContact CG-CD1 3.52Å; P630-I633 HydrophobicContact CG-CG1 3.79Å; P630-I633 PolarHBondContact O-N 3.26Å; I633-F661 HydrophobicContact CG2-CD1 3.95Å; I633-F661 HydrophobicContact CG2-CE1 3.75Å
634	P	85.9	Confident	87.4	Confident	39 Å²	39	38.7 Å²	38.7	25%	0.253	21%	0.207	S	C	.	.			trans	-73.4	147.2	178	31.2	-34.2	0	0	0	111.8	D632 K654 V656 S659	D632-P634 WeakPolarHBondContact O-CD 3.29Å; P634-K654 CarbonylContact C-O 3.59Å; P634-K654 WeakPolarHBondContact CA-O 3.39Å; P634-K654 HydrophobicContact CB-CB 4.16Å; P634-V656 HydrophobicContact CB-CB 3.85Å; P634-V656 HydrophobicContact CB-CG2 3.61Å; P634-V656 HydrophobicContact CG-CB 4.28Å; P634-V656 HydrophobicContact CG-CG2 4.13Å; P634-S659 PolarHBondContact O-OG 2.83Å
635	V	87.8	Confident	87.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-92.1	136.9	168.2	-178.9	0	0	0	0	108.2	Y629 N637 L640 L641 L644 I653 K654 F655 V656 S659 F661	Y629-V635 VanDerWaalsContact OH-CG2 3.25Å; Y629-V635 WeakPolarHBondContact OH-CG2 3.33Å; V635-N637 WeakPolarHBondContact CG1-O 3.42Å; V635-L640 HydrophobicContact CG1-CB 4.04Å; V635-L640 HydrophobicContact CG1-CD2 4.04Å; V635-L640 HydrophobicContact CG1-CG 4.02Å; V635-L641 HydrophobicContact CB-CD1 4.42Å; V635-L641 HydrophobicContact CG1-CB 4.05Å; V635-L644 HydrophobicContact CG2-CD1 3.65Å; V635-I653 HydrophobicContact CB-CG2 4.27Å; V635-I653 HydrophobicContact CG2-CG2 3.5Å; V635-I653 VanDerWaalsContact CG2-CG2 3.5Å; V635-K654 PolarHBondContact N-O 2.8Å; V635-F655 WeakPolarHBondContact O-CA 3.48Å; V635-F655 WeakPolarHBondContact O-CD2 3.41Å; V635-V656 PolarHBondContact O-N 3.4Å; V635-S659 VanDerWaalsContact C-OG 3.26Å; V635-F661 HydrophobicContact CG2-CZ 4.36Å
636	G	83.3	Confident	87	Confident	13 Å²	13	43.6 Å²	43.6	13%	0.134	23%	0.229	C	C	.	.			trans	-111.5	-5.7	-179.6	0	0	0	0	0	116	V656 G658 S659	G636-V656 WeakPolarHBondContact CA-O 3.37Å; G636-G658 PolarHBondContact O-N 3.42Å; G636-G658 VanDerWaalsContact O-N 3.14Å; G636-S659 VanDerWaalsContact CA-O 3.27Å; G636-S659 WeakPolarHBondContact CA-O 3.46Å; G636-S659 VanDerWaalsContact CA-OG 3.3Å; G636-S659 WeakPolarHBondContact CA-OG 3.44Å; G636-S659 PolarHBondContact N-O 3.42Å; G636-S659 PolarHBondContact N-OG 2.99Å; G636-S659 VanDerWaalsContact N-OG 3.1Å
637	N	86.4	Confident	86.8	Confident	66 Å²	66	40.7 Å²	40.7	35%	0.353	22%	0.217	S	C	.	.			trans	-108	125.3	177.9	178.5	-19.4	0	0	0	109.9	V635 Q639 L640 L641	V635-N637 WeakPolarHBondContact CG1-O 3.42Å; N637-Q639 PolarHBondContact O-N 3.11Å; N637-Q639 WeakPolarHBondContact OD1-CB 3.44Å; N637-Q639 PolarHBondContact OD1-N 2.83Å; N637-L640 HydrophobicContact CB-CB 3.97Å; N637-L640 PolarHBondContact O-N 3.49Å; N637-L641 PolarHBondContact O-N 3.03Å
638	D	86.6	Confident	86.6	Confident	92 Å²	92	40.7 Å²	40.7	49%	0.492	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-40.9	-179.1	-64.3	-51.5	0	0	0	112.7	L641 E642 F655	D638-L641 PolarHBondContact O-N 2.81Å; D638-E642 PolarHBondContact O-N 3.11Å; D638-F655 WeakPolarHBondContact OD1-CZ 3.27Å
639	Q	87.1	Confident	86.2	Confident	114 Å²	114	49.2 Å²	49.2	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-42.8	178.4	-66.7	-178.6	-33.5	0	0	111.2	N637 L641 E642 I643	N637-Q639 PolarHBondContact O-N 3.11Å; N637-Q639 WeakPolarHBondContact OD1-CB 3.44Å; N637-Q639 PolarHBondContact OD1-N 2.83Å; Q639-L641 VanDerWaalsContact C-N 3.34Å; Q639-E642 PolarHBondContact O-N 3.14Å; Q639-I643 WeakPolarHBondContact O-CG1 3.46Å; Q639-I643 PolarHBondContact O-N 3.19Å; Q639-I643 VanDerWaalsContact O-N 3.14Å
640	L	85.5	Confident	85.9	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-38.4	177.7	-176.2	61.4	0	0	0	111.3	L552 A558 V635 N637 E642 I643 L644 F661	L552-L640 HydrophobicContact CD1-CD1 3.6Å; A558-L640 HydrophobicContact CB-CD2 3.71Å; V635-L640 HydrophobicContact CG1-CB 4.04Å; V635-L640 HydrophobicContact CG1-CD2 4.04Å; V635-L640 HydrophobicContact CG1-CG 4.02Å; N637-L640 HydrophobicContact CB-CB 3.97Å; N637-L640 PolarHBondContact O-N 3.49Å; L640-E642 VanDerWaalsContact C-N 3.34Å; L640-I643 PolarHBondContact O-N 3.36Å; L640-L644 HydrophobicContact CD1-CD1 4.19Å; L640-L644 HydrophobicContact CD1-CG 4.22Å; L640-L644 HydrophobicContact CG-CD1 3.92Å; L640-L644 HydrophobicContact CG-CG 4.36Å; L640-L644 WeakPolarHBondContact O-CB 3.38Å; L640-L644 VanDerWaalsContact O-CG 3.24Å; L640-L644 WeakPolarHBondContact O-CG 3.47Å; L640-L644 PolarHBondContact O-N 3.06Å; L640-F661 HydrophobicContact CD2-CE2 3.6Å; L640-F661 HydrophobicContact CD2-CZ 4.28Å
641	L	88.2	Confident	86	Confident	29 Å²	29	53.6 Å²	53.6	15%	0.152	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-42.6	174.6	179.1	69	0	0	0	111.3	V635 N637 D638 Q639 L644 N645 I653 F655	V635-L641 HydrophobicContact CB-CD1 4.42Å; V635-L641 HydrophobicContact CG1-CB 4.05Å; N637-L641 PolarHBondContact O-N 3.03Å; D638-L641 PolarHBondContact O-N 2.81Å; Q639-L641 VanDerWaalsContact C-N 3.34Å; L641-L644 PolarHBondContact O-N 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.44Å; L641-N645 VanDerWaalsContact O-CG 3.32Å; L641-N645 PolarHBondContact O-N 3.39Å; L641-N645 PolarHBondContact O-ND2 3.27Å; L641-I653 HydrophobicContact CD1-CB 3.96Å; L641-I653 HydrophobicContact CD1-CG2 3.72Å; L641-F655 HydrophobicContact CB-CD2 4.2Å; L641-F655 HydrophobicContact CD1-CB 4.41Å; L641-F655 HydrophobicContact CD1-CD2 4.5Å; L641-F655 HydrophobicContact CD2-CB 3.92Å; L641-F655 HydrophobicContact CD2-CD2 3.61Å; L641-F655 HydrophobicContact CD2-CE2 4.27Å; L641-F655 HydrophobicContact CD2-CG 3.78Å; L641-F655 HydrophobicContact CG-CD2 4.3Å
642	E	88.5	Confident	86.2	Confident	111 Å²	111	60.1 Å²	60.1	52%	0.519	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-45.6	178.3	-165	-171.2	149.4	0	0	111.6	D638 Q639 L640 N645 K646	D638-E642 PolarHBondContact O-N 3.11Å; Q639-E642 PolarHBondContact O-N 3.14Å; L640-E642 VanDerWaalsContact C-N 3.34Å; E642-N645 PolarHBondContact O-N 2.97Å; E642-K646 WeakPolarHBondContact O-CG 3.32Å; E642-K646 PolarHBondContact O-N 3.29Å; E642-K646 VanDerWaalsContact O-N 3.1Å; E642-K646 IonicContact OE1-NZ 2.68Å; E642-K646 PolarHBondContact OE1-NZ 3.3Å
643	I	87.8	Confident	86.5	Confident	4 Å²	4	55 Å²	55	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-49.4	176.5	-64	166.1	0	0	0	110.3	M544 E548 I551 Q639 L640 N645 K646 L647	M544-I643 HydrophobicContact SD-CG2 4.36Å; E548-I643 HydrophobicContact CB-CD1 3.96Å; E548-I643 HydrophobicContact CB-CG1 3.88Å; E548-I643 HydrophobicContact CG-CD1 4.17Å; E548-I643 HydrophobicContact CG-CG1 3.8Å; I551-I643 HydrophobicContact CB-CD1 3.85Å; I551-I643 HydrophobicContact CD1-CD1 4.39Å; I551-I643 HydrophobicContact CG2-CD1 3.62Å; Q639-I643 WeakPolarHBondContact O-CG1 3.46Å; Q639-I643 PolarHBondContact O-N 3.19Å; Q639-I643 VanDerWaalsContact O-N 3.14Å; L640-I643 PolarHBondContact O-N 3.36Å; I643-N645 PolarHBondContact O-N 3.12Å; I643-K646 WeakPolarHBondContact O-CB 3.45Å; I643-K646 PolarHBondContact O-N 3.02Å; I643-K646 VanDerWaalsContact O-N 3.16Å; I643-L647 HydrophobicContact CG2-CD1 4.21Å; I643-L647 WeakPolarHBondContact O-CG 2.97Å; I643-L647 PolarHBondContact O-N 3.08Å
644	L	87.1	Confident	86.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-36.2	-177.7	-68	173.8	0	0	0	112.1	I562 L627 Y629 V635 L640 L641 K646 L647 I648 I653	I562-L644 HydrophobicContact CD1-CD1 4.5Å; I562-L644 HydrophobicContact CD1-CD2 3.92Å; L627-L644 HydrophobicContact CD2-CD2 4.34Å; Y629-L644 HydrophobicContact CD2-CD1 4.4Å; Y629-L644 HydrophobicContact CE2-CD1 3.83Å; V635-L644 HydrophobicContact CG2-CD1 3.65Å; L640-L644 HydrophobicContact CD1-CD1 4.19Å; L640-L644 HydrophobicContact CD1-CG 4.22Å; L640-L644 HydrophobicContact CG-CD1 3.92Å; L640-L644 HydrophobicContact CG-CG 4.36Å; L640-L644 WeakPolarHBondContact O-CB 3.38Å; L640-L644 VanDerWaalsContact O-CG 3.24Å; L640-L644 WeakPolarHBondContact O-CG 3.47Å; L640-L644 PolarHBondContact O-N 3.06Å; L641-L644 PolarHBondContact O-N 3.25Å; L644-K646 VanDerWaalsContact C-N 3.3Å; L644-K646 PolarHBondContact O-N 2.84Å; L644-L647 PolarHBondContact O-N 3.22Å; L644-I648 HydrophobicContact CB-CD1 4.21Å; L644-I648 HydrophobicContact CD2-CD1 3.92Å; L644-I648 WeakPolarHBondContact O-CA 3.32Å; L644-I648 VanDerWaalsContact O-CB 3.27Å; L644-I648 WeakPolarHBondContact O-CB 3.44Å; L644-I648 PolarHBondContact O-N 3.5Å; L644-I653 HydrophobicContact CB-CD1 3.39Å
645	N	88.4	Confident	86.9	Confident	75 Å²	75	60.2 Å²	60.2	40%	0.401	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-28.8	173.8	-78.3	-29.6	0	0	0	113	L641 E642 I643	L641-N645 WeakPolarHBondContact O-CB 3.44Å; L641-N645 VanDerWaalsContact O-CG 3.32Å; L641-N645 PolarHBondContact O-N 3.39Å; L641-N645 PolarHBondContact O-ND2 3.27Å; E642-N645 PolarHBondContact O-N 2.97Å; I643-N645 PolarHBondContact O-N 3.12Å
646	K	87.2	Confident	86.9	Confident	83 Å²	83	64.1 Å²	64.1	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-41.1	172.1	-76.8	168.1	173.1	160.7	0	111.3	E548 E642 I643 L644 K649	E548-K646 WeakPolarHBondContact OE1-CD 3.4Å; E548-K646 IonicContact OE1-NZ 2.91Å; E548-K646 PolarHBondContact OE1-NZ 2.7Å; E642-K646 WeakPolarHBondContact O-CG 3.32Å; E642-K646 PolarHBondContact O-N 3.29Å; E642-K646 VanDerWaalsContact O-N 3.1Å; E642-K646 IonicContact OE1-NZ 2.68Å; E642-K646 PolarHBondContact OE1-NZ 3.3Å; I643-K646 WeakPolarHBondContact O-CB 3.45Å; I643-K646 PolarHBondContact O-N 3.02Å; I643-K646 VanDerWaalsContact O-N 3.16Å; L644-K646 VanDerWaalsContact C-N 3.3Å; L644-K646 PolarHBondContact O-N 2.84Å; K646-K649 WeakPolarHBondContact O-CE 3.3Å
647	L	85.9	Confident	87.1	Confident	14 Å²	14	73.1 Å²	73.1	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-83.3	-37.4	-176.2	-64	-179.4	0	0	0	113.8	F541 M544 L627 I643 L644	F541-L647 HydrophobicContact CD1-CD1 4.5Å; M544-L647 HydrophobicContact CB-CD2 4.08Å; M544-L647 HydrophobicContact SD-CD1 4.11Å; L627-L647 HydrophobicContact CD2-CD1 4Å; I643-L647 HydrophobicContact CG2-CD1 4.21Å; I643-L647 WeakPolarHBondContact O-CG 2.97Å; I643-L647 PolarHBondContact O-N 3.08Å; L644-L647 PolarHBondContact O-N 3.22Å
648	I	87	Confident	86.8	Confident	2 Å²	2	73 Å²	73	1%	0.01	35%	0.354	C	S	.	.			trans	-114.9	97.5	-169	-58.9	159.1	0	0	0	108.7	L627 Y629 L644 Y650 I651 I653	L627-I648 HydrophobicContact CB-CG1 4.36Å; L627-I648 HydrophobicContact CD2-CD1 4.32Å; Y629-I648 HydrophobicContact CD2-CD1 4.02Å; Y629-I648 HydrophobicContact CG-CD1 3.9Å; L644-I648 HydrophobicContact CB-CD1 4.21Å; L644-I648 HydrophobicContact CD2-CD1 3.92Å; L644-I648 WeakPolarHBondContact O-CA 3.32Å; L644-I648 VanDerWaalsContact O-CB 3.27Å; L644-I648 WeakPolarHBondContact O-CB 3.44Å; L644-I648 PolarHBondContact O-N 3.5Å; I648-Y650 HydrophobicContact CG2-CD1 3.99Å; I648-Y650 HydrophobicContact CG2-CE1 3.63Å; I648-I651 HydrophobicContact CG2-CD1 3.95Å; I648-I651 HydrophobicContact CG2-CG1 3.37Å; I648-I653 HydrophobicContact CB-CD1 4.32Å; I648-I653 HydrophobicContact CD1-CD1 4.12Å
649	K	84.6	Confident	86.7	Confident	179 Å²	179	69.9 Å²	69.9	78%	0.778	34%	0.339	S	S	*	.			trans	-102.8	-6.4	-178.7	-61.9	-176.1	-179.3	179.3	0	114.4	K646	K646-K649 WeakPolarHBondContact O-CE 3.3Å
650	Y	85.2	Confident	86.4	Confident	56 Å²	56	70.5 Å²	70.5	22%	0.22	35%	0.351	C	S	.	.	S	Bend	trans	-94.2	-9.5	-171.9	69.9	-89.7	0	0	0	113.5	L607 K626 L627 L628 Y629 I648	L607-Y650 HydrophobicContact CD1-CD1 3.98Å; L607-Y650 HydrophobicContact CD1-CD2 3.97Å; L607-Y650 HydrophobicContact CD1-CE1 3.76Å; L607-Y650 HydrophobicContact CD1-CE2 3.81Å; L607-Y650 HydrophobicContact CD1-CG 4.09Å; L607-Y650 HydrophobicContact CD2-CD1 4.45Å; L607-Y650 HydrophobicContact CD2-CD2 4.09Å; L607-Y650 HydrophobicContact CD2-CG 3.98Å; L607-Y650 HydrophobicContact CG-CD2 4.26Å; L607-Y650 HydrophobicContact CG-CE2 4.44Å; L607-Y650 HydrophobicContact CG-CG 4.49Å; K626-Y650 HydrophobicContact CB-CD1 4.48Å; K626-Y650 HydrophobicContact CB-CE1 4.34Å; K626-Y650 HydrophobicContact CD-CD1 3.93Å; L627-Y650 WeakPolarHBondContact O-CE1 3.4Å; L627-Y650 PolarHBondContact O-OH 2.82Å; L628-Y650 WeakPolarHBondContact CA-OH 3.35Å; Y629-Y650 PolarHBondContact N-OH 2.86Å; I648-Y650 HydrophobicContact CG2-CD1 3.99Å; I648-Y650 HydrophobicContact CG2-CE1 3.63Å
651	I	87.1	Confident	86.2	Confident	48 Å²	48	70.9 Å²	70.9	25%	0.246	35%	0.353	C	S	.	.	S	Bend	trans	-136.8	156.8	174.2	53.7	163.7	0	0	0	109.8	Y629 I648	Y629-I651 HydrophobicContact CD1-CD1 4.17Å; I648-I651 HydrophobicContact CG2-CD1 3.95Å; I648-I651 HydrophobicContact CG2-CG1 3.37Å
652	Q	85.7	Confident	85.7	Confident	183 Å²	183	77 Å²	77	86%	0.855	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-87.8	121.3	168.2	-172.5	177.6	0.2	0	0	109.6
653	I	87.3	Confident	85.2	Confident	13 Å²	13	75.8 Å²	75.8	7%	0.067	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-78.1	127	179.2	-59.5	178.8	0	0	0	109.4	Y629 V635 L641 L644 I648	Y629-I653 HydrophobicContact CE1-CG2 4.26Å; V635-I653 HydrophobicContact CB-CG2 4.27Å; V635-I653 HydrophobicContact CG2-CG2 3.5Å; V635-I653 VanDerWaalsContact CG2-CG2 3.5Å; L641-I653 HydrophobicContact CD1-CB 3.96Å; L641-I653 HydrophobicContact CD1-CG2 3.72Å; L644-I653 HydrophobicContact CB-CD1 3.39Å; I648-I653 HydrophobicContact CB-CD1 4.32Å; I648-I653 HydrophobicContact CD1-CD1 4.12Å
654	K	87.6	Confident	84.4	Confident	104 Å²	104	76.8 Å²	76.8	45%	0.452	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.2	132.4	173.4	-66.3	178.2	-175.8	169.2	0	108.8	A631 D632 P634 V635	A631-K654 WeakPolarHBondContact O-CD 3.47Å; A631-K654 WeakPolarHBondContact O-CE 3.38Å; D632-K654 IonicContact OD1-NZ 3.23Å; D632-K654 PolarHBondContact OD1-NZ 3.44Å; P634-K654 CarbonylContact C-O 3.59Å; P634-K654 WeakPolarHBondContact CA-O 3.39Å; P634-K654 HydrophobicContact CB-CB 4.16Å; V635-K654 PolarHBondContact N-O 2.8Å
655	F	89.9	Confident	83.3	Confident	75 Å²	75	80.1 Å²	80.1	33%	0.329	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-118.1	125.9	175.8	179.4	-105	0	0	0	110.1	V635 D638 L641 R657	V635-F655 WeakPolarHBondContact O-CA 3.48Å; V635-F655 WeakPolarHBondContact O-CD2 3.41Å; D638-F655 WeakPolarHBondContact OD1-CZ 3.27Å; L641-F655 HydrophobicContact CB-CD2 4.2Å; L641-F655 HydrophobicContact CD1-CB 4.41Å; L641-F655 HydrophobicContact CD1-CD2 4.5Å; L641-F655 HydrophobicContact CD2-CB 3.92Å; L641-F655 HydrophobicContact CD2-CD2 3.61Å; L641-F655 HydrophobicContact CD2-CE2 4.27Å; L641-F655 HydrophobicContact CD2-CG 3.78Å; L641-F655 HydrophobicContact CG-CD2 4.3Å; F655-R657 HydrophobicContact CE1-CB 4.07Å; F655-R657 HydrophobicContact CZ-CB 4.16Å; F655-R657 HydrophobicContact CZ-CG 4.4Å
656	V	88.8	Confident	81.7	Confident	81 Å²	81	78.5 Å²	78.5	49%	0.491	39%	0.389	S	S	.	.			trans	-134.5	104.1	175.2	178.2	0	0	0	0	107.1	P634 V635 G636 G658 S659	P634-V656 HydrophobicContact CB-CB 3.85Å; P634-V656 HydrophobicContact CB-CG2 3.61Å; P634-V656 HydrophobicContact CG-CB 4.28Å; P634-V656 HydrophobicContact CG-CG2 4.13Å; V635-V656 PolarHBondContact O-N 3.4Å; G636-V656 WeakPolarHBondContact CA-O 3.37Å; V656-G658 PolarHBondContact O-N 2.98Å; V656-S659 VanDerWaalsContact O-CB 3.25Å; V656-S659 WeakPolarHBondContact O-CB 3.42Å; V656-S659 PolarHBondContact O-N 3.47Å; V656-S659 PolarHBondContact O-OG 3.1Å
657	R	87	Confident	80	Confident	203 Å²	203	78.1 Å²	78.1	77%	0.766	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	126.6	-174.9	-166.3	175.7	-171.5	178.5	2.6	111.4	F655 S659	F655-R657 HydrophobicContact CE1-CB 4.07Å; F655-R657 HydrophobicContact CZ-CB 4.16Å; F655-R657 HydrophobicContact CZ-CG 4.4Å; R657-S659 VanDerWaalsContact C-N 3.33Å
658	G	79.6	Confident	77.9	Confident	62 Å²	62	79.5 Å²	79.5	64%	0.639	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	0.5	-178.9	0	0	0	0	0	115.6	G636 V656 T660	G636-G658 PolarHBondContact O-N 3.42Å; G636-G658 VanDerWaalsContact O-N 3.14Å; V656-G658 PolarHBondContact O-N 2.98Å; G658-T660 PolarHBondContact O-N 3.17Å
659	S	84.6	Confident	75.8	Confident	28 Å²	28	85.5 Å²	85.5	20%	0.196	43%	0.427	C	S	.	.			trans	-68	129	171.4	69.5	0	0	0	0	111.1	P634 V635 G636 V656 R657	P634-S659 PolarHBondContact O-OG 2.83Å; V635-S659 VanDerWaalsContact C-OG 3.26Å; G636-S659 VanDerWaalsContact CA-O 3.27Å; G636-S659 WeakPolarHBondContact CA-O 3.46Å; G636-S659 VanDerWaalsContact CA-OG 3.3Å; G636-S659 WeakPolarHBondContact CA-OG 3.44Å; G636-S659 PolarHBondContact N-O 3.42Å; G636-S659 PolarHBondContact N-OG 2.99Å; G636-S659 VanDerWaalsContact N-OG 3.1Å; V656-S659 VanDerWaalsContact O-CB 3.25Å; V656-S659 WeakPolarHBondContact O-CB 3.42Å; V656-S659 PolarHBondContact O-N 3.47Å; V656-S659 PolarHBondContact O-OG 3.1Å; R657-S659 VanDerWaalsContact C-N 3.33Å
660	T	80.8	Confident	73.4	Confident	126 Å²	126	80 Å²	80	77%	0.773	41%	0.408	S	S	*	.			trans	-105.4	149.1	176.6	54.1	0	0	0	0	111.1	G658	G658-T660 PolarHBondContact O-N 3.17Å
661	F	81.6	Confident	71	Confident	13 Å²	13	80.7 Å²	80.7	6%	0.057	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-65.5	141.7	171.9	-71.9	-88.1	0	0	0	110.1	N557 A558 N561 Y629 I633 V635 L640 E663	N557-F661 PolarHBondContact ND2-O 2.99Å; A558-F661 HydrophobicContact CB-CD2 3.4Å; A558-F661 HydrophobicContact CB-CE2 3.48Å; A558-F661 VanDerWaalsContact CB-CE2 3.48Å; A558-F661 HydrophobicContact CB-CG 4.15Å; A558-F661 HydrophobicContact CB-CZ 4.26Å; N561-F661 HydrophobicContact CB-CB 4.34Å; N561-F661 HydrophobicContact CB-CD1 3.66Å; N561-F661 HydrophobicContact CB-CE1 4.35Å; N561-F661 HydrophobicContact CB-CG 4.25Å; Y629-F661 HydrophobicContact CE2-CE1 4.4Å; Y629-F661 HydrophobicContact CE2-CZ 4.37Å; Y629-F661 WeakPolarHBondContact OH-CZ 3.44Å; I633-F661 HydrophobicContact CG2-CD1 3.95Å; I633-F661 HydrophobicContact CG2-CE1 3.75Å; V635-F661 HydrophobicContact CG2-CZ 4.36Å; L640-F661 HydrophobicContact CD2-CE2 3.6Å; L640-F661 HydrophobicContact CD2-CZ 4.28Å; F661-E663 PolarHBondContact O-N 2.89Å
662	K	78.7	Confident	68.4	Low	157 Å²	157	85.3 Å²	85.3	68%	0.683	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-69.1	127.1	176.2	-174.5	-177.4	175.8	-174	0	108.5	N557 N561 I664	N557-K662 PolarHBondContact OD1-O 3.42Å; N561-K662 PolarHBondContact ND2-O 3.26Å; N561-K662 PolarHBondContact OD1-O 3.05Å; K662-I664 PolarHBondContact O-N 3.49Å
663	E	76.7	Confident	65.9	Low	85 Å²	85	82 Å²	82	40%	0.397	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-63.6	122.6	171	-164	177.1	-169.6	0	0	109.1	F661 P665	F661-E663 PolarHBondContact O-N 2.89Å; E663-P665 WeakPolarHBondContact O-CD 3.46Å
664	I	71.8	Confident	63.3	Low	26 Å²	26	84.9 Å²	84.9	13%	0.133	44%	0.438	C	S	.	.			trans	-98.8	109.6	179.3	-63	162.1	0	0	0	106.9	N561 L564 Q589 K662 M666	N561-I664 VanDerWaalsContact OD1-CD1 3.24Å; N561-I664 WeakPolarHBondContact OD1-CD1 3.49Å; L564-I664 HydrophobicContact CD1-CB 4.03Å; L564-I664 HydrophobicContact CD1-CD1 3.69Å; L564-I664 HydrophobicContact CD1-CG1 4.49Å; L564-I664 HydrophobicContact CD1-CG2 3.87Å; Q589-I664 HydrophobicContact CB-CD1 4.29Å; Q589-I664 HydrophobicContact CG-CD1 3.93Å; K662-I664 PolarHBondContact O-N 3.49Å; I664-M666 PolarHBondContact O-N 3.06Å; I664-M666 VanDerWaalsContact O-N 3.11Å
665	P	64	Low	60.7	Low	69 Å²	69	85 Å²	85	45%	0.448	45%	0.448	S	S	.	.			trans	-64	119.2	178.7	26.3	-32	0	0	0	108.3	E663	E663-P665 WeakPolarHBondContact O-CD 3.46Å
666	M	55.4	Low	57.9	Low	41 Å²	41	88.1 Å²	88.1	20%	0.202	46%	0.461	C	S	.	.			trans	-86.5	117.1	171.4	-59.7	-152.3	-56	0	0	109	D520 L521 Q560 I664 V668	D520-M666 HydrophobicContact CB-CE 4.28Å; D520-M666 WeakPolarHBondContact O-CE 3.36Å; L521-M666 HydrophobicContact CD2-CE 3.96Å; L521-M666 HydrophobicContact CD2-SD 3.24Å; L521-M666 WeakPolarHBondContact CD2-SD 3.35Å; L521-M666 HydrophobicContact CG-SD 4.42Å; Q560-M666 PolarHBondContact NE2-SD 3.37Å; I664-M666 PolarHBondContact O-N 3.06Å; I664-M666 VanDerWaalsContact O-N 3.11Å; M666-V668 HydrophobicContact CB-CG2 4.21Å; M666-V668 PolarHBondContact O-N 2.93Å
667	T	50.3	Low	55	Low	76 Å²	76	92.2 Å²	92.2	47%	0.466	48%	0.479	S	S	.	.			trans	-80	94.3	165.7	-21.2	0	0	0	0	106.9	P728	T667-P728 HydrophobicContact CG2-CB 3.47Å; T667-P728 VanDerWaalsContact CG2-CB 3.47Å
668	V	42.2	Very low	52.5	Low	42 Å²	42	88 Å²	88	26%	0.255	48%	0.476	S	S	.	.			trans	-86.4	116.2	172.3	-176.5	0	0	0	0	107.4	M666 T670	M666-V668 HydrophobicContact CB-CG2 4.21Å; M666-V668 PolarHBondContact O-N 2.93Å; V668-T670 PolarHBondContact O-N 3.16Å
669	Y	42.9	Very low	50.2	Low	129 Å²	129	93 Å²	93	51%	0.506	48%	0.483	S	S	.	.			trans	-81.7	107.4	171	-61.4	-81.9	0	0	0	107.9	Q527 T671	Q527-Y669 PolarHBondContact NE2-O 2.97Å; Q527-Y669 PolarHBondContact OE1-O 3.03Å; Y669-T671 PolarHBondContact O-N 2.67Å
670	T	35	Very low	47.8	Very low	64 Å²	64	96.1 Å²	96.1	39%	0.393	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	95.6	170.4	7.6	0	0	0	0	108.7	V668 K672 G726	V668-T670 PolarHBondContact O-N 3.16Å; T670-K672 PolarHBondContact O-N 2.77Å; T670-G726 VanDerWaalsContact O-CA 3.22Å; T670-G726 WeakPolarHBondContact O-CA 3.4Å; T670-G726 PolarHBondContact O-N 3.05Å
671	T	34.5	Very low	45.7	Very low	69 Å²	69	99.3 Å²	99.3	42%	0.423	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.9	171.6	-8.2	0	0	0	0	109.1	Y669 V723	Y669-T671 PolarHBondContact O-N 2.67Å; T671-V723 HydrophobicContact CG2-CG1 3.43Å; T671-V723 VanDerWaalsContact CG2-CG1 3.43Å
672	K	32.4	Very low	43.7	Very low	146 Å²	146	102 Å²	102	64%	0.635	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.6	166.3	-88.8	-174.3	176.8	177.1	0	107.5	T670 I674 I724	T670-K672 PolarHBondContact O-N 2.77Å; K672-I674 HydrophobicContact CB-CG1 4.47Å; K672-I674 PolarHBondContact O-N 2.92Å; K672-I724 PolarHBondContact N-O 3.17Å; K672-I724 VanDerWaalsContact N-O 3.14Å; K672-I724 PolarHBondContact O-N 3.28Å
673	I	33.8	Very low	41.8	Very low	112 Å²	112	102.7 Å²	102.7	57%	0.574	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.9	168.1	-56.1	176.7	0	0	0	106.5	T721	I673-T721 HydrophobicContact CG2-CG2 3.98Å
674	I	31.9	Very low	40.1	Very low	74 Å²	74	101.2 Å²	101.2	38%	0.379	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107	170.7	-57.1	-176.4	0	0	0	106.9	K672 K676 E722 I724	K672-I674 HydrophobicContact CB-CG1 4.47Å; K672-I674 PolarHBondContact O-N 2.92Å; I674-K676 PolarHBondContact O-N 3.19Å; I674-E722 PolarHBondContact N-O 3.5Å; I674-E722 VanDerWaalsContact N-O 3.13Å; I674-E722 WeakPolarHBondContact O-CB 3.35Å; I674-I724 HydrophobicContact CD1-CD1 3.98Å
675	T	31.9	Very low	38.7	Very low	107 Å²	107	104.4 Å²	104.4	66%	0.656	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	99.1	172.3	-29.7	0	0	0	0	108.2
676	K	32	Very low	37.7	Very low	141 Å²	141	107.7 Å²	107.7	61%	0.613	55%	0.545	S	S	*	.			trans	-89	114.6	166.8	-103.1	-179.7	177.7	172.2	0	108.7	I674 V678	I674-K676 PolarHBondContact O-N 3.19Å; K676-V678 HydrophobicContact CB-CG2 4.43Å; K676-V678 PolarHBondContact O-N 3.4Å
677	L	28.9	Very low	37	Very low	167 Å²	167	108.4 Å²	108.4	87%	0.874	56%	0.563	S	S	*	*			trans	-74.1	111.1	165.1	-131.1	94.4	0	0	0	107.5
678	V	34.3	Very low	36.4	Very low	114 Å²	114	110.1 Å²	110.1	69%	0.691	58%	0.577	S	S	*	*			trans	-111.2	119.4	168.5	-176.4	0	0	0	0	106.9	K676	K676-V678 HydrophobicContact CB-CG2 4.43Å; K676-V678 PolarHBondContact O-N 3.4Å
679	E	30.2	Very low	36.1	Very low	167 Å²	167	115.3 Å²	115.3	78%	0.78	60%	0.603	S	S	*	*			trans	-64.7	132.3	176.1	-69.4	177.7	170	0	0	110.2
680	P	34.7	Very low	35.9	Very low	93 Å²	93	117.4 Å²	117.4	60%	0.604	62%	0.617	S	S	*	*			trans	-71.7	134.7	-175.2	27.3	-32.7	0	0	0	111.6
681	K	35.8	Very low	35.9	Very low	193 Å²	193	120.1 Å²	120.1	84%	0.839	64%	0.636	S	S	*	*			trans	-110.1	116.8	165.7	-83.8	-177.7	176.9	176.5	0	109.3
682	I	40.4	Very low	36.2	Very low	70 Å²	70	122.1 Å²	122.1	36%	0.359	64%	0.643	S	S	.	*			trans	-80.2	129.6	177.6	-60.3	169	0	0	0	109.2	I791	I682-I791 HydrophobicContact CD1-CB 4.34Å; I682-I791 HydrophobicContact CD1-CG2 3.37Å
683	K	39.5	Very low	36.4	Very low	172 Å²	172	121.8 Å²	121.8	75%	0.748	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.2	121.6	167.4	-99.6	-175.1	176	177.8	0	109.8
684	V	41.3	Very low	36.6	Very low	54 Å²	54	123.9 Å²	123.9	33%	0.327	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.5	118.5	168.4	-178.5	0	0	0	0	107.8
685	I	42.2	Very low	36.7	Very low	93 Å²	93	126.3 Å²	126.3	48%	0.477	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.6	116.5	173.6	-57	177.6	0	0	0	107.8	I714	I685-I714 HydrophobicContact CD1-CD1 3.98Å
686	H	42	Very low	36.8	Very low	138 Å²	138	129.9 Å²	129.9	64%	0.639	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-77.3	120.6	171.9	-66.5	-52.7	0	0	0	109.8
687	G	40.4	Very low	37.1	Very low	56 Å²	56	125.5 Å²	125.5	58%	0.577	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-68.3	127.9	166.9	0	0	0	0	0	109.9	L689	G687-L689 PolarHBondContact O-N 3.46Å
688	S	37.7	Very low	37.8	Very low	111 Å²	111	124 Å²	124	78%	0.776	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-70	126.1	176.7	57.4	0	0	0	0	111	Q690	S688-Q690 PolarHBondContact O-N 3.41Å
689	L	36.3	Very low	38.2	Very low	151 Å²	151	123.1 Å²	123.1	79%	0.791	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-58.3	125.4	164.2	-80.4	150.9	0	0	0	109.2	G687	G687-L689 PolarHBondContact O-N 3.46Å
690	Q	38.7	Very low	38.3	Very low	173 Å²	173	123.8 Å²	123.8	81%	0.808	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-66	150.1	169.4	-72.5	-168.2	-2.1	0	0	110.4	S688 I692	S688-Q690 PolarHBondContact O-N 3.41Å; Q690-I692 PolarHBondContact O-N 2.88Å
691	P	36	Very low	38.1	Very low	121 Å²	121	124 Å²	124	79%	0.786	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.8	132.6	-163.7	-15.5	29.5	0	0	0	113.5	T693	P691-T693 PolarHBondContact O-N 2.86Å
692	I	39.7	Very low	37.9	Very low	112 Å²	112	124.6 Å²	124.6	57%	0.574	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-62.5	117.2	170.6	-61	160.3	0	0	0	109.1	Q690 K694 I703	Q690-I692 PolarHBondContact O-N 2.88Å; I692-K694 PolarHBondContact O-N 3.48Å; I692-I703 HydrophobicContact CG2-CG2 4.14Å
693	T	36.9	Very low	37.7	Very low	138 Å²	138	126.1 Å²	126.1	85%	0.847	70%	0.701	S	S	*	*			trans	-79	109.6	170.5	-16.1	0	0	0	0	109	P691	P691-T693 PolarHBondContact O-N 2.86Å
694	K	37	Very low	37.5	Very low	156 Å²	156	125.7 Å²	125.7	68%	0.678	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-87	121.4	171.2	-79.4	-179.2	176.1	179	0	109.6	I692	I692-K694 PolarHBondContact O-N 3.48Å
695	T	35.9	Very low	37.4	Very low	125 Å²	125	128.9 Å²	128.9	77%	0.767	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-103.6	116.3	159.9	18	0	0	0	0	108.5
696	E	33.9	Very low	36.9	Very low	183 Å²	183	133 Å²	133	86%	0.855	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-85.9	122.5	176.5	-72.6	-175.5	166.8	0	0	110.5
697	G	38.2	Very low	36.8	Very low	49 Å²	49	129.3 Å²	129.3	51%	0.505	73%	0.733	S	S	.	*			trans	-139.1	146	163.3	0	0	0	0	0	108.3	A699	G697-A699 PolarHBondContact O-N 3.24Å
698	P	42.2	Very low	36.6	Very low	135 Å²	135	134.6 Å²	134.6	88%	0.877	74%	0.742	S	S	*	*	S	Bend	trans	-71.7	127.6	-165.8	29.7	-32.4	0	0	0	110.2
699	A	43.9	Very low	36.7	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	72%	0.72	S	S	*	*	S	Bend	trans	75.4	99.1	-177.4	0	0	0	0	0	115.9	G697	G697-A699 PolarHBondContact O-N 3.24Å
700	M	31.3	Very low	36.8	Very low	180 Å²	180	128.5 Å²	128.5	89%	0.887	70%	0.704	S	S	*	*			trans	84.2	106.7	171.8	-57.8	-151	-68	0	0	117.6
701	T	30.5	Very low	36.9	Very low	98 Å²	98	123.2 Å²	123.2	60%	0.601	68%	0.679	S	S	*	*			trans	-97.3	110.9	167.8	-24.5	0	0	0	0	109.4
702	K	31.7	Very low	37.1	Very low	205 Å²	205	125.6 Å²	125.6	89%	0.891	67%	0.672	S	S	*	*			trans	-90.3	126.2	164	-85.4	-180	175.5	176.6	0	108.3
703	I	36.9	Very low	37	Very low	102 Å²	102	124 Å²	124	52%	0.523	66%	0.664	S	S	.	*			trans	-100.4	126.2	173.8	-56.8	175	0	0	0	107.7	I692 I705	I692-I703 HydrophobicContact CG2-CG2 4.14Å; I703-I705 HydrophobicContact CG2-CG1 4.12Å
704	H	35	Very low	37.1	Very low	163 Å²	163	121 Å²	121	76%	0.755	64%	0.642	S	S	*	*			trans	-104.5	125.3	169.3	-163.1	68.8	0	0	0	107.6
705	I	39.3	Very low	37	Very low	122 Å²	122	122 Å²	122	63%	0.626	65%	0.646	S	S	*	*			trans	-107.4	112.4	176.3	-58.3	174.3	0	0	0	106.5	I703	I703-I705 HydrophobicContact CG2-CG1 4.12Å
706	E	31.9	Very low	37.2	Very low	179 Å²	179	123.3 Å²	123.3	84%	0.836	64%	0.644	S	S	*	*			trans	-94.2	114.8	163.4	-82.1	-173.1	155.4	0	0	108.4
707	G	38.4	Very low	37.4	Very low	61 Å²	61	116.5 Å²	116.5	63%	0.629	62%	0.623	S	S	*	*			trans	140.6	122.9	171.9	0	0	0	0	0	113.2
708	E	37.3	Very low	37.3	Very low	166 Å²	166	118.3 Å²	118.3	78%	0.776	62%	0.619	S	S	*	*			trans	-73.4	135.9	168.1	-68.3	-177.1	167.6	0	0	109.7	D710	E708-D710 PolarHBondContact O-N 3.23Å
709	P	40.1	Very low	36.8	Very low	49 Å²	49	118.5 Å²	118.5	32%	0.318	62%	0.617	S	S	.	*			trans	-72.7	116	177.8	28.1	-32.2	0	0	0	110.7	F711 I765	P709-F711 HydrophobicContact CB-CE2 3.87Å; P709-F711 HydrophobicContact CB-CZ 4.24Å; P709-F711 HydrophobicContact CG-CE2 4.23Å; P709-I765 HydrophobicContact CG-CD1 3.82Å
710	D	38	Very low	36.3	Very low	85 Å²	85	117 Å²	117	46%	0.455	60%	0.598	S	S	.	*			trans	-86.9	119.9	177.7	-123.8	5.6	0	0	0	109.8	E708	E708-D710 PolarHBondContact O-N 3.23Å
711	F	41.7	Very low	36.4	Very low	63 Å²	63	112.6 Å²	112.6	28%	0.276	58%	0.582	S	S	.	*			trans	-103.3	132.6	170.7	-64.1	-86.7	0	0	0	110.1	P709 L780	P709-F711 HydrophobicContact CB-CE2 3.87Å; P709-F711 HydrophobicContact CB-CZ 4.24Å; P709-F711 HydrophobicContact CG-CE2 4.23Å; F711-L780 HydrophobicContact CD2-CD2 4.26Å; F711-L780 HydrophobicContact CE1-CD2 4.19Å; F711-L780 HydrophobicContact CE2-CD2 3.16Å; F711-L780 HydrophobicContact CE2-CG 4.45Å; F711-L780 HydrophobicContact CZ-CD1 4.08Å; F711-L780 HydrophobicContact CZ-CD2 3.12Å; F711-L780 HydrophobicContact CZ-CG 4.09Å
712	R	40	Very low	36.6	Very low	171 Å²	171	111.4 Å²	111.4	65%	0.645	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.2	108.9	176.1	-64.7	-175.3	-174.9	-178.5	0.7	109.4
713	L	37.6	Very low	36.8	Very low	79 Å²	79	104.8 Å²	104.8	41%	0.414	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108.8	166.6	-79.3	158.3	0	0	0	107.6	V787	L713-V787 HydrophobicContact CD1-CG1 3.88Å
714	I	37.8	Very low	36.6	Very low	75 Å²	75	103 Å²	103	39%	0.385	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.5	173.2	-52	179.7	0	0	0	106.9	I685 E716	I685-I714 HydrophobicContact CD1-CD1 3.98Å; I714-E716 HydrophobicContact CG2-CG 3.93Å; I714-E716 PolarHBondContact O-N 3.44Å
715	K	36.3	Very low	36.5	Very low	175 Å²	175	101.4 Å²	101.4	76%	0.761	53%	0.529	S	S	*	.			trans	-82.2	87.3	168.2	-173.5	-179.9	178.6	-178.7	0	107.8
716	E	40.2	Very low	36.3	Very low	153 Å²	153	96.5 Å²	96.5	72%	0.715	51%	0.509	S	S	*	.			trans	-88.1	111.3	166	-89.9	177.3	-171.8	0	0	108.9	I714	I714-E716 HydrophobicContact CG2-CG 3.93Å; I714-E716 PolarHBondContact O-N 3.44Å
717	G	36.7	Very low	36.4	Very low	41 Å²	41	94.1 Å²	94.1	42%	0.423	50%	0.498	S	S	.	.			trans	169.1	67.9	-173.9	0	0	0	0	0	108.6
718	E	36.9	Very low	36.2	Very low	87 Å²	87	94.1 Å²	94.1	41%	0.407	49%	0.487	S	S	.	.			trans	-68.3	139.7	174	-63.5	-177.8	140.4	0	0	109.2	V720 I754 I755	E718-V720 HydrophobicContact CB-CG2 3.75Å; E718-V720 PolarHBondContact O-N 3.08Å; E718-I754 WeakPolarHBondContact OE1-CA 3.16Å; E718-I754 WeakPolarHBondContact OE1-CG2 3.45Å; E718-I755 PolarHBondContact OE1-N 2.79Å
719	T	32.4	Very low	36.1	Very low	138 Å²	138	90.5 Å²	90.5	85%	0.847	48%	0.476	S	S	*	.			trans	-63.5	89.8	142.6	38	0	0	0	0	106.1	T721	T719-T721 PolarHBondContact O-N 3.31Å
720	V	32.6	Very low	35.8	Very low	65 Å²	65	92.2 Å²	92.2	39%	0.394	48%	0.481	S	S	.	.			trans	-69.3	96.3	167	-173.2	0	0	0	0	105.1	E718 E722	E718-V720 HydrophobicContact CB-CG2 3.75Å; E718-V720 PolarHBondContact O-N 3.08Å; V720-E722 HydrophobicContact CG1-CB 3.85Å; V720-E722 HydrophobicContact CG1-CG 4Å; V720-E722 PolarHBondContact O-N 2.94Å
721	T	34.2	Very low	35.6	Very low	88 Å²	88	95 Å²	95	54%	0.54	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	91.7	153.2	-33.8	0	0	0	0	103.3	I673 T719 V723	I673-T721 HydrophobicContact CG2-CG2 3.98Å; T719-T721 PolarHBondContact O-N 3.31Å; T721-V723 HydrophobicContact CG2-CG2 4.23Å; T721-V723 PolarHBondContact O-N 3.47Å
722	E	33.5	Very low	35.2	Very low	72 Å²	72	98 Å²	98	34%	0.336	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	85.1	175.2	-143.3	-177	-177.6	0	0	105.3	I674 V720 I724	I674-E722 PolarHBondContact N-O 3.5Å; I674-E722 VanDerWaalsContact N-O 3.13Å; I674-E722 WeakPolarHBondContact O-CB 3.35Å; V720-E722 HydrophobicContact CG1-CB 3.85Å; V720-E722 HydrophobicContact CG1-CG 4Å; V720-E722 PolarHBondContact O-N 2.94Å; E722-I724 HydrophobicContact CB-CG1 4.27Å; E722-I724 HydrophobicContact CG-CD1 4.24Å; E722-I724 HydrophobicContact CG-CG1 3.71Å; E722-I724 PolarHBondContact O-N 3.28Å
723	V	35.9	Very low	34.8	Very low	66 Å²	66	98.5 Å²	98.5	40%	0.4	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	80.5	163.2	-173.9	0	0	0	0	104.5	T671 T721 H725	T671-V723 HydrophobicContact CG2-CG1 3.43Å; T671-V723 VanDerWaalsContact CG2-CG1 3.43Å; T721-V723 HydrophobicContact CG2-CG2 4.23Å; T721-V723 PolarHBondContact O-N 3.47Å; V723-H725 VanDerWaalsContact C-N 3.3Å; V723-H725 PolarHBondContact O-N 3.29Å
724	I	32.2	Very low	34.4	Very low	65 Å²	65	101.5 Å²	101.5	33%	0.333	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	103.9	164.7	-53.7	177.4	0	0	0	103.9	K672 I674 E722 G726	K672-I724 PolarHBondContact N-O 3.17Å; K672-I724 VanDerWaalsContact N-O 3.14Å; K672-I724 PolarHBondContact O-N 3.28Å; I674-I724 HydrophobicContact CD1-CD1 3.98Å; E722-I724 HydrophobicContact CB-CG1 4.27Å; E722-I724 HydrophobicContact CG-CD1 4.24Å; E722-I724 HydrophobicContact CG-CG1 3.71Å; E722-I724 PolarHBondContact O-N 3.28Å; I724-G726 PolarHBondContact O-N 3.21Å
725	H	33.4	Very low	34.2	Very low	129 Å²	129	105.8 Å²	105.8	60%	0.597	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	100	152.8	-76	-66.8	0	0	0	104.4	V723 E727	V723-H725 VanDerWaalsContact C-N 3.3Å; V723-H725 PolarHBondContact O-N 3.29Å; H725-E727 PolarHBondContact O-N 2.58Å
726	G	34.7	Very low	33.8	Very low	19 Å²	19	104.4 Å²	104.4	20%	0.196	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	135.4	171.4	0	0	0	0	0	106.7	T670 I724	T670-G726 VanDerWaalsContact O-CA 3.22Å; T670-G726 WeakPolarHBondContact O-CA 3.4Å; T670-G726 PolarHBondContact O-N 3.05Å; I724-G726 PolarHBondContact O-N 3.21Å
727	E	35.4	Very low	33.5	Very low	129 Å²	129	102 Å²	102	60%	0.603	53%	0.533	S	S	*	.			trans	-43	141.3	178.8	-67.8	176.3	161	0	0	109.7	H725 V729	H725-E727 PolarHBondContact O-N 2.58Å; E727-V729 PolarHBondContact O-N 3.44Å
728	P	34.2	Very low	33.3	Very low	62 Å²	62	107.2 Å²	107.2	40%	0.403	55%	0.552	S	S	.	*			trans	-56.8	109.9	173.5	25.8	-33.3	0	0	0	107.3	T667 I730	T667-P728 HydrophobicContact CG2-CB 3.47Å; T667-P728 VanDerWaalsContact CG2-CB 3.47Å; P728-I730 HydrophobicContact CB-CG1 4.34Å; P728-I730 PolarHBondContact O-N 3.34Å
729	V	34.3	Very low	33.4	Very low	89 Å²	89	106.4 Å²	106.4	54%	0.539	57%	0.567	S	S	.	*			trans	-73.4	86.1	171.5	-177.6	0	0	0	0	105.7	E727 K731	E727-V729 PolarHBondContact O-N 3.44Å; V729-K731 HydrophobicContact CG1-CG 4.5Å; V729-K731 PolarHBondContact O-N 3.21Å
730	I	33.5	Very low	33.4	Very low	85 Å²	85	104.7 Å²	104.7	44%	0.436	56%	0.556	S	S	.	*			trans	-71.3	98.5	169.3	-58.4	168.4	0	0	0	105.5	P728 K732	P728-I730 HydrophobicContact CB-CG1 4.34Å; P728-I730 PolarHBondContact O-N 3.34Å; I730-K732 VanDerWaalsContact C-N 3.31Å; I730-K732 HydrophobicContact CG2-CB 3.86Å; I730-K732 HydrophobicContact CG2-CD 3.71Å; I730-K732 HydrophobicContact CG2-CG 3.5Å; I730-K732 PolarHBondContact O-N 3.4Å
731	K	34	Very low	33.4	Very low	143 Å²	143	107.5 Å²	107.5	62%	0.622	58%	0.575	S	S	*	*			trans	-66.5	97.4	159.7	-69.2	-178	-177.7	174.7	0	106.4	D520 V729	D520-K731 IonicContact OD2-NZ 3.58Å; V729-K731 HydrophobicContact CG1-CG 4.5Å; V729-K731 PolarHBondContact O-N 3.21Å
732	K	32.6	Very low	33.2	Very low	126 Å²	126	109.2 Å²	109.2	55%	0.548	59%	0.586	S	S	.	*			trans	-115.4	127	172.6	-107.6	178.9	-172.9	178.5	0	109.4	I730	I730-K732 VanDerWaalsContact C-N 3.31Å; I730-K732 HydrophobicContact CG2-CB 3.86Å; I730-K732 HydrophobicContact CG2-CD 3.71Å; I730-K732 HydrophobicContact CG2-CG 3.5Å; I730-K732 PolarHBondContact O-N 3.4Å
733	Y	33	Very low	33.1	Very low	182 Å²	182	114.3 Å²	114.3	71%	0.714	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-92.7	148.5	156.1	-64.8	-84.1	0	0	0	109.4	K735	Y733-K735 PolarHBondContact O-N 3.46Å
734	T	29.8	Very low	33.2	Very low	142 Å²	142	117.4 Å²	117.4	87%	0.871	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-63.2	126.5	-168.7	-14.6	0	0	0	0	112
735	K	31.6	Very low	33.1	Very low	165 Å²	165	120.3 Å²	120.3	72%	0.717	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-95	118.1	167.4	-165.3	-177.5	-173	-170	0	109.1	Y733 I737	Y733-K735 PolarHBondContact O-N 3.46Å; K735-I737 HydrophobicContact CD-CD1 4.13Å; K735-I737 HydrophobicContact CD-CG1 4.34Å; K735-I737 HydrophobicContact CG-CG1 4.32Å
736	I	29.2	Very low	33	Very low	147 Å²	147	122.3 Å²	122.3	75%	0.754	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-83.9	123.9	170.8	-58.3	172.7	0	0	0	107.9
737	I	33.1	Very low	32.9	Very low	102 Å²	102	130.7 Å²	130.7	52%	0.523	68%	0.684	S	S	.	*			trans	-129.1	123.7	162.5	-56.7	179	0	0	0	105.6	K735 G739	K735-I737 HydrophobicContact CD-CD1 4.13Å; K735-I737 HydrophobicContact CD-CG1 4.34Å; K735-I737 HydrophobicContact CG-CG1 4.32Å; I737-G739 PolarHBondContact O-N 3.15Å
738	D	33.8	Very low	32.6	Very low	151 Å²	151	132.1 Å²	132.1	81%	0.807	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.4	39	172.7	-57.9	-27.8	0	0	0	117.4	V740	D738-V740 PolarHBondContact O-N 3.04Å
739	G	38.7	Very low	32.4	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.2	7.6	162.4	0	0	0	0	0	116.7	I737	I737-G739 PolarHBondContact O-N 3.15Å
740	V	31.1	Very low	32.2	Very low	102 Å²	102	140.6 Å²	140.6	62%	0.618	72%	0.72	S	S	*	*	S	Bend	trans	-121.2	127.8	175.1	-174.4	0	0	0	0	109.5	D738 V742	D738-V740 PolarHBondContact O-N 3.04Å; V740-V742 PolarHBondContact O-N 3.12Å
741	P	32.8	Very low	32.1	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	74%	0.738	S	S	*	*			trans	-64.3	122.2	171.4	-6	18.4	0	0	0	109.3
742	V	31.6	Very low	31.9	Very low	125 Å²	125	143.5 Å²	143.5	76%	0.758	73%	0.734	S	S	*	*			trans	-98.2	109.7	169.5	-177.6	0	0	0	0	108	V740 I744	V740-V742 PolarHBondContact O-N 3.12Å; V742-I744 PolarHBondContact O-N 3.44Å
743	E	31.2	Very low	31.8	Very low	179 Å²	179	148.1 Å²	148.1	84%	0.836	75%	0.748	S	S	*	*			trans	-66.5	124.4	164.8	-77.8	-176.9	158	0	0	109.1
744	I	36.5	Very low	31.7	Very low	131 Å²	131	144.4 Å²	144.4	67%	0.672	74%	0.739	S	S	*	*			trans	-93.5	108.1	163.4	-59.1	172.9	0	0	0	105.6	V742 E746	V742-I744 PolarHBondContact O-N 3.44Å; I744-E746 PolarHBondContact O-N 3.46Å
745	T	30.3	Very low	31.8	Very low	126 Å²	126	144.5 Å²	144.5	77%	0.773	73%	0.732	S	S	*	*			trans	-64.9	126.7	176.5	-27.7	0	0	0	0	109.7	K747	T745-K747 PolarHBondContact O-N 2.87Å
746	E	32.3	Very low	31.7	Very low	171 Å²	171	142.5 Å²	142.5	80%	0.799	73%	0.734	S	S	*	*			trans	-54.5	131.9	169.1	-73.3	172.3	158.6	0	0	110.1	I744	I744-E746 PolarHBondContact O-N 3.46Å
747	K	31.8	Very low	32	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	73%	0.726	S	S	*	*			trans	-114	104.1	164.1	-142.4	-178.1	-174.3	-175.2	0	107.8	T745 T749	T745-K747 PolarHBondContact O-N 2.87Å; K747-T749 PolarHBondContact O-N 3.46Å
748	Q	29.8	Very low	31.9	Very low	158 Å²	158	139.2 Å²	139.2	74%	0.738	74%	0.739	S	S	*	*			trans	-61.3	125.8	167.3	-79.1	179.3	-14.2	0	0	108.7
749	T	29	Very low	32	Very low	132 Å²	132	140.3 Å²	140.3	81%	0.81	74%	0.739	S	S	*	*			trans	-115.3	108.5	164.6	-24	0	0	0	0	106.2	K747	K747-T749 PolarHBondContact O-N 3.46Å
750	R	29.8	Very low	31.9	Very low	198 Å²	198	140.4 Å²	140.4	75%	0.747	72%	0.723	S	S	*	*			trans	-96.9	111.2	178.4	-161.8	-179.8	-170.5	-136	-7	106.4	E752	R750-E752 IonicContact CZ-OE1 2.75Å; R750-E752 IonicContact NE-OE1 3.91Å; R750-E752 IonicContact NH1-OE1 3.8Å; R750-E752 PolarHBondContact NH1-OE1 2.95Å; R750-E752 IonicContact NH2-OE1 3.99Å; R750-E752 PolarHBondContact NH2-OE1 2.87Å
751	E	32	Very low	32.2	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	72%	0.724	S	S	*	*			trans	-99.8	104.2	164.8	-80.5	-166.9	170.1	0	0	108.3
752	E	29.7	Very low	32.6	Very low	115 Å²	115	139.9 Å²	139.9	54%	0.537	70%	0.698	S	S	.	*			trans	-82.1	115.4	162.5	-71.8	175.4	167	0	0	107.3	R750 I754	R750-E752 IonicContact CZ-OE1 2.75Å; R750-E752 IonicContact NE-OE1 3.91Å; R750-E752 IonicContact NH1-OE1 3.8Å; R750-E752 PolarHBondContact NH1-OE1 2.95Å; R750-E752 IonicContact NH2-OE1 3.99Å; R750-E752 PolarHBondContact NH2-OE1 2.87Å; E752-I754 PolarHBondContact O-N 3.49Å
753	R	31.4	Very low	33	Very low	223 Å²	223	137.8 Å²	137.8	84%	0.842	69%	0.686	S	S	*	*			trans	-90.3	93.1	161.2	-85.8	-170.7	-179.7	-170.5	0.8	108.4	I755	R753-I755 PolarHBondContact O-N 3.45Å
754	I	30.3	Very low	33.4	Very low	103 Å²	103	135.7 Å²	135.7	53%	0.528	67%	0.671	S	S	.	*			trans	-73.6	115.2	164.2	-67.2	165.1	0	0	0	106.5	E718 E752 T756	E718-I754 WeakPolarHBondContact OE1-CA 3.16Å; E718-I754 WeakPolarHBondContact OE1-CG2 3.45Å; E752-I754 PolarHBondContact O-N 3.49Å; I754-T756 HydrophobicContact CG2-CG2 4.03Å; I754-T756 PolarHBondContact O-N 2.92Å
755	I	31.9	Very low	33.6	Very low	144 Å²	144	132.7 Å²	132.7	74%	0.738	66%	0.655	S	S	*	*			trans	-91.5	93.9	167.6	-58	176.8	0	0	0	105.3	E718 R753 G757	E718-I755 PolarHBondContact OE1-N 2.79Å; R753-I755 PolarHBondContact O-N 3.45Å; I755-G757 PolarHBondContact O-N 3.5Å; I755-G757 VanDerWaalsContact O-N 3.11Å
756	T	28.8	Very low	34.1	Very low	124 Å²	124	132.2 Å²	132.2	76%	0.761	66%	0.657	S	S	*	*			trans	-61.2	114.7	170.6	27.8	0	0	0	0	108.9	I754	I754-T756 HydrophobicContact CG2-CG2 4.03Å; I754-T756 PolarHBondContact O-N 2.92Å
757	G	35.8	Very low	34.4	Very low	56 Å²	56	127.1 Å²	127.1	58%	0.577	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-62.4	163	167.8	0	0	0	0	0	111.4	I755 E759	I755-G757 PolarHBondContact O-N 3.5Å; I755-G757 VanDerWaalsContact O-N 3.11Å; G757-E759 PolarHBondContact O-N 3.23Å
758	P	31	Very low	34.7	Very low	123 Å²	123	122.2 Å²	122.2	80%	0.799	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-60.8	132.3	-175.5	23.4	-32	0	0	0	112.2
759	E	35.8	Very low	35.6	Very low	174 Å²	174	117.1 Å²	117.1	81%	0.813	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-68.5	123.2	169.9	-111.4	-174.2	163.2	0	0	109.5	G757	G757-E759 PolarHBondContact O-N 3.23Å
760	I	37.1	Very low	36.3	Very low	73 Å²	73	118.5 Å²	118.5	37%	0.374	64%	0.64	S	S	.	*			trans	-109.2	109.9	172.8	-55.6	178.1	0	0	0	108.4	L808	I760-L808 HydrophobicContact CD1-CD2 3.7Å
761	K	38.4	Very low	37.1	Very low	149 Å²	149	113.4 Å²	113.4	65%	0.648	63%	0.625	S	S	*	*			trans	-88.2	120.5	167.9	-73.5	-172.4	178.4	-171.2	0	109.1
762	Y	39.3	Very low	38.1	Very low	64 Å²	64	109.5 Å²	109.5	25%	0.251	61%	0.613	S	S	.	*			trans	-121	115.2	173.7	-172.6	-96.6	0	0	0	109.2	R764 I804 L807	Y762-R764 HydrophobicContact CD1-CB 4.5Å; Y762-R764 HydrophobicContact CE1-CB 3.71Å; Y762-R764 WeakPolarHBondContact OH-CD 3.45Å; Y762-I804 HydrophobicContact CE2-CG1 4.17Å; Y762-L807 HydrophobicContact CD2-CD1 4.07Å; Y762-L807 HydrophobicContact CE2-CD1 4.27Å
763	T	40.2	Very low	38.9	Very low	82 Å²	82	106.9 Å²	106.9	50%	0.503	62%	0.617	S	S	.	*			trans	-123.2	105.6	176.5	-36.2	0	0	0	0	107.6
764	R	39.8	Very low	39.7	Very low	135 Å²	135	103.2 Å²	103.2	51%	0.509	61%	0.609	S	S	.	*			trans	-134.4	85.8	171.4	-163.3	178.1	-173.8	178.8	3.6	110.5	Y762 D801	Y762-R764 HydrophobicContact CD1-CB 4.5Å; Y762-R764 HydrophobicContact CE1-CB 3.71Å; Y762-R764 WeakPolarHBondContact OH-CD 3.45Å; R764-D801 IonicContact NH1-OD1 3.58Å; R764-D801 IonicContact NH1-OD2 2.68Å; R764-D801 PolarHBondContact NH1-OD2 3.35Å
765	I	41.9	Very low	40.7	Very low	67 Å²	67	100.9 Å²	100.9	34%	0.344	60%	0.6	S	S	.	*			trans	-140	103.4	160.8	-49.6	173.1	0	0	0	107.4	P709 T767 L780	P709-I765 HydrophobicContact CG-CD1 3.82Å; I765-T767 HydrophobicContact CG2-CG2 3.89Å; I765-L780 HydrophobicContact CD1-CD1 4.18Å; I765-L780 HydrophobicContact CD1-CD2 3.27Å; I765-L780 HydrophobicContact CD1-CG 3.74Å; I765-L780 HydrophobicContact CG1-CD2 4.34Å
766	S	39.5	Very low	41.6	Very low	117 Å²	117	96.4 Å²	96.4	82%	0.818	58%	0.578	S	S	*	*			trans	-110.6	98.3	160.5	70.6	0	0	0	0	107.6
767	T	39	Very low	42.7	Very low	63 Å²	63	96 Å²	96	39%	0.387	57%	0.567	S	S	.	*			trans	-100.3	103.7	170.6	46.8	0	0	0	0	108.6	I765 G769	I765-T767 HydrophobicContact CG2-CG2 3.89Å; T767-G769 PolarHBondContact O-N 2.9Å
768	G	39.1	Very low	43.6	Very low	92 Å²	92	100.4 Å²	100.4	95%	0.948	57%	0.57	S	S	*	*			trans	-85.4	81.2	167.5	0	0	0	0	0	109.7
769	G	47.1	Very low	44.6	Very low	52 Å²	52	98.4 Å²	98.4	54%	0.536	55%	0.552	S	S	.	*	S	Bend	trans	165.2	156.2	177.1	0	0	0	0	0	114.8	T767 E771	T767-G769 PolarHBondContact O-N 2.9Å; G769-E771 PolarHBondContact O-N 2.76Å
770	V	44.5	Very low	45.3	Very low	161 Å²	161	91.7 Å²	91.7	98%	0.976	52%	0.522	S	S	*	.			trans	-75.4	86.5	178.7	-172.2	0	0	0	0	109.1
771	E	46.4	Very low	46.1	Very low	91 Å²	91	94.1 Å²	94.1	43%	0.425	53%	0.532	S	S	.	.			trans	-101.6	148.9	172.6	-69.9	-169	170.5	0	0	111.2	G769 L776	G769-E771 PolarHBondContact O-N 2.76Å; E771-L776 HydrophobicContact CB-CD1 4.13Å
772	T	52.8	Low	46.9	Very low	92 Å²	92	93.2 Å²	93.2	56%	0.564	53%	0.528	S	S	*	.			trans	-77.3	152.7	177.3	54.9	0	0	0	0	111	E774 T775 L776	T772-E774 VanDerWaalsContact C-N 3.27Å; T772-E774 PolarHBondContact O-N 3.29Å; T772-E774 VanDerWaalsContact O-N 3.17Å; T772-T775 WeakPolarHBondContact O-CB 3.22Å; T772-T775 PolarHBondContact O-N 2.92Å; T772-T775 PolarHBondContact O-OG1 3.38Å; T772-T775 PolarHBondContact OG1-OG1 3.16Å; T772-L776 PolarHBondContact O-N 2.86Å
773	G	46	Very low	47.5	Very low	60 Å²	60	93.4 Å²	93.4	62%	0.619	53%	0.531	S	S	*	.	H	α-helix	trans	-53.3	-37	-177	0	0	0	0	0	114.9	T775 L776 E777	G773-T775 VanDerWaalsContact C-N 3.27Å; G773-T775 PolarHBondContact O-N 2.93Å; G773-L776 PolarHBondContact O-N 3.36Å; G773-E777 PolarHBondContact O-N 3.48Å; G773-E777 VanDerWaalsContact O-N 3.14Å
774	E	49.5	Very low	48.1	Very low	145 Å²	145	91.3 Å²	91.3	68%	0.678	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-29.5	174.8	-87.3	-175.6	147	0	0	113.6	T772 K778	T772-E774 VanDerWaalsContact C-N 3.27Å; T772-E774 PolarHBondContact O-N 3.29Å; T772-E774 VanDerWaalsContact O-N 3.17Å; E774-K778 PolarHBondContact O-N 3.13Å; E774-K778 VanDerWaalsContact O-N 3.17Å
775	T	50.8	Low	48.8	Very low	55 Å²	55	88 Å²	88	34%	0.337	52%	0.515	S	S	.	.	H	α-helix	trans	-75.6	-40.9	-177.8	-45.2	0	0	0	0	110.4	T772 G773 E777 K778 L779	T772-T775 WeakPolarHBondContact O-CB 3.22Å; T772-T775 PolarHBondContact O-N 2.92Å; T772-T775 PolarHBondContact O-OG1 3.38Å; T772-T775 PolarHBondContact OG1-OG1 3.16Å; G773-T775 VanDerWaalsContact C-N 3.27Å; G773-T775 PolarHBondContact O-N 2.93Å; T775-E777 VanDerWaalsContact C-N 3.34Å; T775-K778 PolarHBondContact O-N 3.49Å; T775-L779 WeakPolarHBondContact O-CG 3.09Å; T775-L779 PolarHBondContact O-N 2.93Å
776	L	50.9	Low	49.3	Very low	50 Å²	50	88.4 Å²	88.4	26%	0.262	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-42.1	171.7	-103.9	97.1	0	0	0	111.7	E771 T772 G773 K778 L779 L780	E771-L776 HydrophobicContact CB-CD1 4.13Å; T772-L776 PolarHBondContact O-N 2.86Å; G773-L776 PolarHBondContact O-N 3.36Å; L776-K778 VanDerWaalsContact C-N 3.31Å; L776-K778 PolarHBondContact O-N 3.07Å; L776-L779 PolarHBondContact O-N 3.27Å; L776-L780 VanDerWaalsContact O-CB 3.27Å; L776-L780 WeakPolarHBondContact O-CB 3.36Å; L776-L780 WeakPolarHBondContact O-CD1 2.97Å; L776-L780 VanDerWaalsContact O-CG 3.29Å; L776-L780 WeakPolarHBondContact O-CG 3.34Å; L776-L780 PolarHBondContact O-N 3.29Å
777	E	52	Low	49.9	Very low	116 Å²	116	84.7 Å²	84.7	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-37.1	-179.4	-150.4	172.6	-164.1	0	0	112	G773 T775 L780 Q781	G773-E777 PolarHBondContact O-N 3.48Å; G773-E777 VanDerWaalsContact O-N 3.14Å; T775-E777 VanDerWaalsContact C-N 3.34Å; E777-L780 WeakPolarHBondContact O-CB 3.49Å; E777-Q781 WeakPolarHBondContact O-CG 3.22Å; E777-Q781 PolarHBondContact O-N 3.29Å
778	K	53.5	Low	50.4	Low	148 Å²	148	83.5 Å²	83.5	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-69.3	-40.6	173	-78.7	-179.9	179.7	171.8	0	113.4	E774 T775 L776 L780 Q781 K782	E774-K778 PolarHBondContact O-N 3.13Å; E774-K778 VanDerWaalsContact O-N 3.17Å; T775-K778 PolarHBondContact O-N 3.49Å; L776-K778 VanDerWaalsContact C-N 3.31Å; L776-K778 PolarHBondContact O-N 3.07Å; K778-L780 VanDerWaalsContact C-N 3.31Å; K778-Q781 PolarHBondContact O-N 2.83Å; K778-K782 WeakPolarHBondContact O-CB 3.47Å; K778-K782 PolarHBondContact O-N 2.92Å
779	L	52.1	Low	51	Low	80 Å²	80	86.9 Å²	86.9	42%	0.419	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-40.4	175.7	-75.7	169.1	0	0	0	111	T775 L776 K782 E783	T775-L779 WeakPolarHBondContact O-CG 3.09Å; T775-L779 PolarHBondContact O-N 2.93Å; L776-L779 PolarHBondContact O-N 3.27Å; L779-K782 WeakPolarHBondContact O-CB 3.24Å; L779-K782 PolarHBondContact O-N 2.92Å; L779-E783 PolarHBondContact O-N 3.44Å
780	L	52.1	Low	51	Low	33 Å²	33	88.8 Å²	88.8	17%	0.173	46%	0.46	C	S	.	.	H	α-helix	trans	-61.3	-50.5	174.1	-83.7	165	0	0	0	112.7	F711 I765 L776 E777 K778 K782 E783 V784	F711-L780 HydrophobicContact CD2-CD2 4.26Å; F711-L780 HydrophobicContact CE1-CD2 4.19Å; F711-L780 HydrophobicContact CE2-CD2 3.16Å; F711-L780 HydrophobicContact CE2-CG 4.45Å; F711-L780 HydrophobicContact CZ-CD1 4.08Å; F711-L780 HydrophobicContact CZ-CD2 3.12Å; F711-L780 HydrophobicContact CZ-CG 4.09Å; I765-L780 HydrophobicContact CD1-CD1 4.18Å; I765-L780 HydrophobicContact CD1-CD2 3.27Å; I765-L780 HydrophobicContact CD1-CG 3.74Å; I765-L780 HydrophobicContact CG1-CD2 4.34Å; L776-L780 VanDerWaalsContact O-CB 3.27Å; L776-L780 WeakPolarHBondContact O-CB 3.36Å; L776-L780 WeakPolarHBondContact O-CD1 2.97Å; L776-L780 VanDerWaalsContact O-CG 3.29Å; L776-L780 WeakPolarHBondContact O-CG 3.34Å; L776-L780 PolarHBondContact O-N 3.29Å; E777-L780 WeakPolarHBondContact O-CB 3.49Å; K778-L780 VanDerWaalsContact C-N 3.31Å; L780-K782 PolarHBondContact O-N 3.19Å; L780-E783 PolarHBondContact O-N 2.78Å; L780-V784 VanDerWaalsContact O-CG2 3.28Å; L780-V784 WeakPolarHBondContact O-CG2 3.37Å; L780-V784 PolarHBondContact O-N 2.91Å
781	Q	52.8	Low	51.1	Low	125 Å²	125	85.1 Å²	85.1	58%	0.584	43%	0.434	S	S	*	.	H	α-helix	trans	-60.5	-34.7	175.7	-80.6	-178.4	-10.3	0	0	112.4	E777 K778 S785	E777-Q781 WeakPolarHBondContact O-CG 3.22Å; E777-Q781 PolarHBondContact O-N 3.29Å; K778-Q781 PolarHBondContact O-N 2.83Å; Q781-S785 VanDerWaalsContact O-CB 3.3Å; Q781-S785 WeakPolarHBondContact O-CB 3.35Å; Q781-S785 PolarHBondContact O-N 3.27Å; Q781-S785 PolarHBondContact O-OG 3.12Å
782	K	54.9	Low	51.2	Low	130 Å²	130	87.7 Å²	87.7	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-68.5	-42.3	178.3	-168.1	-179.6	-177.8	-178.5	0	112.3	K778 L779 L780 S785 K786	K778-K782 WeakPolarHBondContact O-CB 3.47Å; K778-K782 PolarHBondContact O-N 2.92Å; L779-K782 WeakPolarHBondContact O-CB 3.24Å; L779-K782 PolarHBondContact O-N 2.92Å; L780-K782 PolarHBondContact O-N 3.19Å; K782-S785 PolarHBondContact O-N 2.92Å; K782-K786 PolarHBondContact O-N 3.37Å
783	E	53.3	Low	51.1	Low	67 Å²	67	85.2 Å²	85.2	31%	0.313	44%	0.439	S	S	.	.	H	α-helix	trans	-70.6	-41.2	176.3	-75.4	-55	139.3	0	0	112.1	L779 L780 S785 K786 V787	L779-E783 PolarHBondContact O-N 3.44Å; L780-E783 PolarHBondContact O-N 2.78Å; E783-S785 VanDerWaalsContact C-N 3.29Å; E783-S785 PolarHBondContact O-N 3.37Å; E783-K786 PolarHBondContact O-N 2.9Å; E783-K786 VanDerWaalsContact O-N 3.17Å; E783-K786 IonicContact OE1-NZ 2.65Å; E783-K786 PolarHBondContact OE1-NZ 2.86Å; E783-K786 IonicContact OE2-NZ 3.69Å; E783-V787 PolarHBondContact O-N 3.25Å; E783-V787 VanDerWaalsContact O-N 3.15Å
784	V	51.5	Low	51.2	Low	38 Å²	38	86.4 Å²	86.4	23%	0.23	45%	0.451	C	S	.	.	H	α-helix	trans	-57	-45.8	172.1	172.2	0	0	0	0	110.3	L780 K786 V787 T788	L780-V784 VanDerWaalsContact O-CG2 3.28Å; L780-V784 WeakPolarHBondContact O-CG2 3.37Å; L780-V784 PolarHBondContact O-N 2.91Å; V784-K786 VanDerWaalsContact C-N 3.31Å; V784-K786 PolarHBondContact O-N 2.84Å; V784-V787 PolarHBondContact O-N 2.78Å; V784-T788 PolarHBondContact O-N 3.42Å; V784-T788 PolarHBondContact O-OG1 3.18Å
785	S	54.1	Low	50.8	Low	66 Å²	66	86.4 Å²	86.4	46%	0.462	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-32.3	179.3	-61.3	0	0	0	0	113.8	Q781 K782 E783 K789	Q781-S785 VanDerWaalsContact O-CB 3.3Å; Q781-S785 WeakPolarHBondContact O-CB 3.35Å; Q781-S785 PolarHBondContact O-N 3.27Å; Q781-S785 PolarHBondContact O-OG 3.12Å; K782-S785 PolarHBondContact O-N 2.92Å; E783-S785 VanDerWaalsContact C-N 3.29Å; E783-S785 PolarHBondContact O-N 3.37Å; S785-K789 WeakPolarHBondContact O-CG 3.31Å; S785-K789 PolarHBondContact O-N 2.6Å; S785-K789 VanDerWaalsContact O-N 3.11Å
786	K	54.2	Low	50.7	Low	76 Å²	76	85.6 Å²	85.6	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-69.2	-44.4	175.7	-76.9	177.7	-176.6	169.7	0	111.5	K782 E783 V784 T788 K789 Y790	K782-K786 PolarHBondContact O-N 3.37Å; E783-K786 PolarHBondContact O-N 2.9Å; E783-K786 VanDerWaalsContact O-N 3.17Å; E783-K786 IonicContact OE1-NZ 2.65Å; E783-K786 PolarHBondContact OE1-NZ 2.86Å; E783-K786 IonicContact OE2-NZ 3.69Å; V784-K786 VanDerWaalsContact C-N 3.31Å; V784-K786 PolarHBondContact O-N 2.84Å; K786-T788 VanDerWaalsContact C-N 3.34Å; K786-K789 PolarHBondContact O-N 2.83Å; K786-Y790 PolarHBondContact O-N 2.8Å
787	V	51	Low	50.5	Low	39 Å²	39	91.9 Å²	91.9	24%	0.236	49%	0.486	C	S	.	.	H	α-helix	trans	-63.7	-42.2	177.6	177.5	0	0	0	0	110.4	L713 E783 V784 K789 Y790 I791	L713-V787 HydrophobicContact CD1-CG1 3.88Å; E783-V787 PolarHBondContact O-N 3.25Å; E783-V787 VanDerWaalsContact O-N 3.15Å; V784-V787 PolarHBondContact O-N 2.78Å; V787-K789 PolarHBondContact O-N 3.05Å; V787-Y790 PolarHBondContact O-N 3.26Å; V787-I791 HydrophobicContact CG1-CD1 3.94Å; V787-I791 WeakPolarHBondContact O-CG1 3.1Å; V787-I791 PolarHBondContact O-N 3Å
788	T	49.9	Very low	50.2	Low	38 Å²	38	92.8 Å²	92.8	23%	0.233	49%	0.494	C	S	.	.	H	α-helix	trans	-61.4	-45.1	176.4	-46.2	0	0	0	0	112.1	V784 K786 Y790 I791 E792	V784-T788 PolarHBondContact O-N 3.42Å; V784-T788 PolarHBondContact O-OG1 3.18Å; K786-T788 VanDerWaalsContact C-N 3.34Å; T788-Y790 VanDerWaalsContact C-N 3.35Å; T788-Y790 PolarHBondContact O-N 2.81Å; T788-I791 PolarHBondContact O-N 2.86Å; T788-E792 PolarHBondContact O-N 3.42Å; T788-E792 VanDerWaalsContact O-N 3.13Å
789	K	52.3	Low	49.7	Very low	162 Å²	162	92.6 Å²	92.6	70%	0.704	49%	0.493	S	S	*	.	H	α-helix	trans	-64.5	-33	179.6	-82	-173.7	176.5	-174.8	0	114.2	S785 K786 V787 G793	S785-K789 WeakPolarHBondContact O-CG 3.31Å; S785-K789 PolarHBondContact O-N 2.6Å; S785-K789 VanDerWaalsContact O-N 3.11Å; K786-K789 PolarHBondContact O-N 2.83Å; V787-K789 PolarHBondContact O-N 3.05Å; K789-G793 PolarHBondContact O-N 3.24Å
790	Y	47.2	Very low	49.4	Very low	93 Å²	93	98.3 Å²	98.3	37%	0.365	52%	0.518	S	S	.	.	H	α-helix	trans	-70.1	-34.1	176.2	-178.3	-92.7	0	0	0	112.2	K786 V787 T788 L808	K786-Y790 PolarHBondContact O-N 2.8Å; V787-Y790 PolarHBondContact O-N 3.26Å; T788-Y790 VanDerWaalsContact C-N 3.35Å; T788-Y790 PolarHBondContact O-N 2.81Å; Y790-L808 HydrophobicContact CD1-CD1 4Å; Y790-L808 HydrophobicContact CE1-CD1 3.5Å
791	I	46.7	Very low	49.5	Very low	84 Å²	84	99.8 Å²	99.8	43%	0.431	53%	0.526	S	S	.	.	H	α-helix	trans	-77.7	-31.6	-178.9	-62.2	167.8	0	0	0	111.6	I682 V787 T788	I682-I791 HydrophobicContact CD1-CB 4.34Å; I682-I791 HydrophobicContact CD1-CG2 3.37Å; V787-I791 HydrophobicContact CG1-CD1 3.94Å; V787-I791 WeakPolarHBondContact O-CG1 3.1Å; V787-I791 PolarHBondContact O-N 3Å; T788-I791 PolarHBondContact O-N 2.86Å
792	E	47.8	Very low	49.4	Very low	145 Å²	145	99.2 Å²	99.2	68%	0.678	52%	0.523	S	S	*	.	H	α-helix	trans	-85.2	-20.8	179.5	-68.6	177.6	170	0	0	113.5	T788	T788-E792 PolarHBondContact O-N 3.42Å; T788-E792 VanDerWaalsContact O-N 3.13Å
793	G	50.3	Low	49.2	Very low	40 Å²	40	98.2 Å²	98.2	41%	0.412	52%	0.52	S	S	.	.			trans	-116.4	96.6	-180	0	0	0	0	0	112.3	K789 D795	K789-G793 PolarHBondContact O-N 3.24Å; G793-D795 PolarHBondContact O-N 3.44Å
794	G	48.6	Very low	49.1	Very low	85 Å²	85	97.3 Å²	97.3	88%	0.876	52%	0.517	S	S	*	.			trans	-70.9	50.8	179.1	0	0	0	0	0	115.6
795	D	40.3	Very low	49.1	Very low	145 Å²	145	99.1 Å²	99.1	78%	0.775	52%	0.522	S	S	*	.			trans	-132.5	113.9	173.9	-99	-31.3	0	0	0	111.3	G793 H797	G793-D795 PolarHBondContact O-N 3.44Å; D795-H797 PolarHBondContact O-N 2.77Å
796	G	49.3	Very low	49.1	Very low	37 Å²	37	102.6 Å²	102.6	38%	0.381	53%	0.525	S	S	.	.	S	Bend	trans	-74.3	25.9	-167.2	0	0	0	0	0	117.9	K805	G796-K805 PolarHBondContact O-NZ 2.84Å
797	H	47.5	Very low	48.8	Very low	182 Å²	182	101 Å²	101	84%	0.843	52%	0.52	S	S	*	.			trans	-123.7	27.1	-169.3	-87.8	-61.6	0	0	0	116.7	D795	D795-H797 PolarHBondContact O-N 2.77Å
798	L	45.5	Very low	48.5	Very low	136 Å²	136	103.2 Å²	103.2	71%	0.712	53%	0.53	S	S	*	.	S	Bend	trans	-129.4	125.5	164.2	-83.3	127.1	0	0	0	109.6
799	F	42.1	Very low	48.4	Very low	143 Å²	143	109 Å²	109	63%	0.627	55%	0.554	S	S	*	*			trans	93.6	124.3	-179.8	-54.3	-73.9	0	0	0	116.8	D801	F799-D801 VanDerWaalsContact C-N 3.27Å; F799-D801 PolarHBondContact O-N 3.36Å
800	E	47	Very low	47.9	Very low	201 Å²	201	104.4 Å²	104.4	94%	0.939	55%	0.552	S	S	*	*			trans	-81.9	8.6	-179.9	-65	-179.3	156.2	0	0	113.8	E802	E800-E802 PolarHBondContact O-N 2.97Å
801	D	52.2	Low	47.6	Very low	64 Å²	64	105 Å²	105	34%	0.342	56%	0.562	S	S	.	*			trans	-84.3	83.3	-172.9	-138.9	-16.1	0	0	0	110.8	R764 F799 E803 I804	R764-D801 IonicContact NH1-OD1 3.58Å; R764-D801 IonicContact NH1-OD2 2.68Å; R764-D801 PolarHBondContact NH1-OD2 3.35Å; F799-D801 VanDerWaalsContact C-N 3.27Å; F799-D801 PolarHBondContact O-N 3.36Å; D801-E803 PolarHBondContact O-N 3.49Å; D801-I804 HydrophobicContact CB-CD1 4.38Å; D801-I804 PolarHBondContact O-N 2.87Å
802	E	52.5	Low	47	Very low	113 Å²	113	107.4 Å²	107.4	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-49.1	-28.1	-179.7	-94.1	-84.8	138.9	0	0	114.2	E800 K805 R806	E800-E802 PolarHBondContact O-N 2.97Å; E802-K805 PolarHBondContact O-N 3.18Å; E802-R806 WeakPolarHBondContact O-CG 3.46Å; E802-R806 PolarHBondContact O-N 3.38Å; E802-R806 IonicContact OE2-CZ 3.83Å; E802-R806 IonicContact OE2-NE 2.68Å; E802-R806 PolarHBondContact OE2-NE 2.9Å; E802-R806 IonicContact OE2-NH2 3.76Å; E802-R806 PolarHBondContact OE2-NH2 2.89Å
803	E	49.4	Very low	46.4	Very low	108 Å²	108	104.7 Å²	104.7	51%	0.505	58%	0.576	S	S	.	*	H	α-helix	trans	-72.5	-33.6	-174.4	-147.4	167.5	-160	0	0	112.6	D801 R806 L807	D801-E803 PolarHBondContact O-N 3.49Å; E803-R806 PolarHBondContact O-N 2.85Å; E803-L807 PolarHBondContact O-N 3.24Å
804	I	50.8	Low	45.5	Very low	48 Å²	48	107.4 Å²	107.4	25%	0.246	59%	0.594	C	S	.	*	H	α-helix	trans	-71.3	-36.7	176.7	-62.7	176	0	0	0	110.7	Y762 D801 L808	Y762-I804 HydrophobicContact CE2-CG1 4.17Å; D801-I804 HydrophobicContact CB-CD1 4.38Å; D801-I804 PolarHBondContact O-N 2.87Å; I804-L808 HydrophobicContact CG2-CD1 4Å; I804-L808 WeakPolarHBondContact O-CG 3.06Å; I804-L808 PolarHBondContact O-N 3.14Å
805	K	52.3	Low	44.6	Very low	76 Å²	76	112.9 Å²	112.9	33%	0.33	59%	0.594	S	S	.	*	H	α-helix	trans	-64.4	-40.8	175.7	-82.8	-176.2	175.1	177.9	0	111.9	G796 E802 Q809	G796-K805 PolarHBondContact O-NZ 2.84Å; E802-K805 PolarHBondContact O-N 3.18Å; K805-Q809 WeakPolarHBondContact O-CG 3.46Å; K805-Q809 PolarHBondContact O-N 3.12Å
806	R	53.3	Low	43.9	Very low	139 Å²	139	115.6 Å²	115.6	53%	0.525	60%	0.599	S	S	.	*	H	α-helix	trans	-68.1	-43.5	179.4	-70.7	179.5	-173.8	-149.4	-1.4	113.1	E802 E803 L808 Q809 G810 D811	E802-R806 WeakPolarHBondContact O-CG 3.46Å; E802-R806 PolarHBondContact O-N 3.38Å; E802-R806 IonicContact OE2-CZ 3.83Å; E802-R806 IonicContact OE2-NE 2.68Å; E802-R806 PolarHBondContact OE2-NE 2.9Å; E802-R806 IonicContact OE2-NH2 3.76Å; E802-R806 PolarHBondContact OE2-NH2 2.89Å; E803-R806 PolarHBondContact O-N 2.85Å; R806-L808 VanDerWaalsContact C-N 3.28Å; R806-L808 PolarHBondContact O-N 3.2Å; R806-Q809 PolarHBondContact O-N 3.22Å; R806-G810 PolarHBondContact O-N 3.05Å; R806-D811 PolarHBondContact O-N 3.15Å
807	L	48.4	Very low	42.8	Very low	44 Å²	44	121 Å²	121	23%	0.23	62%	0.617	C	S	.	*	H	α-helix	trans	-61.7	-34.5	178	-79.3	164.5	0	0	0	112.9	Y762 E803 P813	Y762-L807 HydrophobicContact CD2-CD1 4.07Å; Y762-L807 HydrophobicContact CE2-CD1 4.27Å; E803-L807 PolarHBondContact O-N 3.24Å; L807-P813 HydrophobicContact CD2-CG 4.03Å
808	L	44.8	Very low	41.9	Very low	84 Å²	84	121.1 Å²	121.1	44%	0.44	62%	0.619	S	S	.	*	H	α-helix	trans	-81.4	-18.3	179.2	-70.4	167.7	0	0	0	113.8	I760 Y790 I804 R806 G810	I760-L808 HydrophobicContact CD1-CD2 3.7Å; Y790-L808 HydrophobicContact CD1-CD1 4Å; Y790-L808 HydrophobicContact CE1-CD1 3.5Å; I804-L808 HydrophobicContact CG2-CD1 4Å; I804-L808 WeakPolarHBondContact O-CG 3.06Å; I804-L808 PolarHBondContact O-N 3.14Å; R806-L808 VanDerWaalsContact C-N 3.28Å; R806-L808 PolarHBondContact O-N 3.2Å; L808-G810 VanDerWaalsContact C-N 3.33Å
809	Q	48.2	Very low	41	Very low	161 Å²	161	119.6 Å²	119.6	75%	0.752	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	0.5	173.7	-71.8	179.1	-6.2	0	0	113.2	K805 R806	K805-Q809 WeakPolarHBondContact O-CG 3.46Å; K805-Q809 PolarHBondContact O-N 3.12Å; R806-Q809 PolarHBondContact O-N 3.22Å
810	G	41.5	Very low	40.3	Very low	64 Å²	64	118.3 Å²	118.3	66%	0.66	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.2	10.2	173	0	0	0	0	0	115.5	R806 L808	R806-G810 PolarHBondContact O-N 3.05Å; L808-G810 VanDerWaalsContact C-N 3.33Å
811	D	40.7	Very low	39.4	Very low	105 Å²	105	120.7 Å²	120.7	56%	0.561	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-83.2	127.8	174.1	-85	-15.5	0	0	0	111.5	R806	R806-D811 PolarHBondContact O-N 3.15Å
812	T	35.5	Very low	38.3	Very low	136 Å²	136	129 Å²	129	83%	0.834	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-82	133.9	170.2	33.8	0	0	0	0	112
813	P	35.3	Very low	37.1	Very low	87 Å²	87	129.5 Å²	129.5	57%	0.565	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-75.5	138.1	179.3	11.6	-4.4	0	0	0	113	L807	L807-P813 HydrophobicContact CD2-CG 4.03Å
814	A	30.9	Very low	36.2	Very low	98 Å²	98	133.8 Å²	133.8	81%	0.81	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-70.2	127	172.7	0	0	0	0	0	111.6	K816	A814-K816 PolarHBondContact O-N 3.25Å; A814-K816 VanDerWaalsContact O-N 3.08Å
815	K	28.7	Very low	35.1	Very low	199 Å²	199	135.2 Å²	135.2	87%	0.865	71%	0.712	S	S	*	*			trans	-58.6	108.5	173.1	-82.7	-179.9	174.6	175.4	0	111.1	I817	K815-I817 PolarHBondContact O-N 2.99Å
816	K	26.9	Very low	34	Very low	203 Å²	203	137.2 Å²	137.2	88%	0.883	74%	0.735	S	S	*	*			trans	-81.8	97	159.7	-93.3	-179.3	177.4	172.8	0	109.5	A814 Q818	A814-K816 PolarHBondContact O-N 3.25Å; A814-K816 VanDerWaalsContact O-N 3.08Å; K816-Q818 PolarHBondContact O-N 3.39Å
817	I	26.1	Very low	32.9	Very low	149 Å²	149	142.7 Å²	142.7	76%	0.764	76%	0.756	S	S	*	*			trans	-74.7	108.6	162	-63.4	168.8	0	0	0	106.7	K815	K815-I817 PolarHBondContact O-N 2.99Å
818	Q	27.5	Very low	32	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	78%	0.783	S	S	*	*			trans	-94.8	111.1	160.9	-90.4	-171.2	-9	0	0	109.5	K816	K816-Q818 PolarHBondContact O-N 3.39Å
819	S	27.3	Very low	31.4	Very low	104 Å²	104	156.7 Å²	156.7	73%	0.727	80%	0.8	S	S	*	*			trans	-57.7	142.3	172.3	54.4	0	0	0	0	112.7
820	S	27.1	Very low	30.6	Very low	116 Å²	116	153.7 Å²	153.7	81%	0.811	80%	0.797	S	S	*	*			trans	-47.7	134.3	173	58.2	0	0	0	0	114.8
821	R	27.7	Very low	30.2	Very low	251 Å²	251	160.9 Å²	160.9	95%	0.947	80%	0.804	S	S	*	*			trans	-123.4	124.6	149.1	-101.8	-175.9	178.7	179.2	0.6	110.1
822	R	28.9	Very low	29.8	Very low	237 Å²	237	163.8 Å²	163.8	89%	0.894	81%	0.814	S	S	*	*			trans	-75.4	142.1	175	-104.9	-175.5	172.8	175.4	-1.8	111.4
823	V	28.9	Very low	29.6	Very low	124 Å²	124	160.6 Å²	160.6	75%	0.752	81%	0.808	S	S	*	*			trans	70.2	110.1	137.7	-175	0	0	0	0	119.7
824	Q	30.3	Very low	29.6	Very low	198 Å²	198	168.1 Å²	168.1	93%	0.925	83%	0.826	S	S	*	*				-158.8	125.6	126.3	-98	177.4	-1.1	0	0	104.5
825	G	27.3	Very low	30.1	Very low	78 Å²	78	168.2 Å²	168.2	80%	0.804	82%	0.821	S	S	*	*			cis	110.4	80.1	36.7	0	0	0	0	0	108.6
826	S	29	Very low	30.7	Very low	118 Å²	118	171.7 Å²	171.7	83%	0.825	84%	0.84	S	S	*	*			trans	-158	96.8	157	-170.6	0	0	0	0	111.3
827	R	30.1	Very low	30.9	Very low	254 Å²	254	170.2 Å²	170.2	96%	0.958	84%	0.838	S	S	*	*			trans	-89.2	119.6	158.8	-97.5	179.5	170	174.2	-3	108
828	R	30	Very low	31.1	Very low	212 Å²	212	171.3 Å²	171.3	80%	0.8	84%	0.842	S	S	*	*			trans	-134.2	134.3	144.3	-88.7	-176.5	169.2	176.1	-1.6	103.8
829	R	30.8	Very low	31.3	Very low	211 Å²	211	170.4 Å²	170.4	80%	0.796	84%	0.84	S	S	*	*			cis	-167.7	150	21.1	-123	174	180	177.1	-2.5	108.3
830	S	31.7	Very low	31.6	Very low	98 Å²	98	174.4 Å²	174.4	69%	0.685	85%	0.847	S	S	*	*			trans	73.9	111.7	131.8	-171	0	0	0	0	121.4
831	R	32.7	Very low	31.9	Very low	214 Å²	214	178 Å²	178	81%	0.808	85%	0.849	S	S	*	*				53.9	143.2	127	-72.2	179.3	165.1	-178.9	-4.7	118.7
832	E	33.8	Very low	32.1	Very low	166 Å²	166	173.1 Å²	173.1	78%	0.776	84%	0.842	S	S	*	*			cis	-164	149.3	14.9	-107.9	151	-171.7	0	0	102.5
833	G	31.2	Very low	32.4	Very low	69 Å²	69	168.6 Å²	168.6	71%	0.711	84%	0.839	S	S	*	*			cis	147.1	154.8	42.2	0	0	0	0	0	108.1
834	R	35.5	Very low	32.6	Very low	245 Å²	245	172 Å²	172	93%	0.925	85%	0.845	S	S	*	*			trans	64.9	115.1	162.3	-79.6	178.7	171.7	169.4	-3.2	118.5
835	S	41.4	Very low	32.8	Very low	101 Å²	101	169.8 Å²	169.8	71%	0.706	84%	0.839	S	S	*	*				106.6	105.5	57	69.8	0	0	0	0	110.2
836	Q	40.5	Very low	33.3	Very low	272 Å²	272	178.2 Å²	178.2	100%	1.271	84%	0.842	S	S	*	*				-168.3	0	108.9	-98.7	-176.1	1.2	0	0	108.7

Retrieved 836 of 836 residues in 309.6 ms (Link to these results)

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