A0A2K5NRV8_CERAT Loading...

Metal-response element-binding transcription factor 2

Polycomb group (PcG) protein that specifically binds histone H3 trimethylated at 'Lys-36' (H3K36me3) and recruits the PRC2 complex, thus enhancing PRC2 H3K27me3 methylation activity. Regulates the transcriptional networks during embryonic stem cell self-renewal and differentiation. Promotes recruitment of the PRC2 complex to the inactive X chromosome in differentiating XX ES cells and PRC2 recruitment to target genes in undifferentiated ES cells. Required to repress Hox genes by enhancing H3K27me3 methylation of the PRC2 complex. In some conditions may act as an inhibitor of PRC2 activity: able to activate the CDKN2A gene and promote cellular senescence by suppressing the catalytic activity of the PRC2 complex locally. Binds to the metal-regulating-element (MRE) of MT1A gene promoter.

AlphaFold DB , UniProt , Accession A0A2K5NRV8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MTF2, Length 593 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	31.4	Very low	239 Å²	239	140.7 Å²	140.7	100%	1.177	84%	0.84	S	S	*	*				0	134.8	0	-77.8	176	164.3	0	0	107.7
2	R	32.9	Very low	31.2	Very low	228 Å²	228	137.7 Å²	137.7	86%	0.86	82%	0.823	S	S	*	*			trans	56	110.5	166.4	-55.8	-161.3	171.6	150.9	-0.5	117.2
3	D	34.4	Very low	31.1	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	81%	0.812	S	S	*	*				89.8	130.5	77.1	-63.4	-36.9	0	0	0	111.1
4	S	36.3	Very low	30.9	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	80%	0.799	S	S	*	*			cis	112.3	93.2	10	-67.7	0	0	0	0	113.8
5	T	34	Very low	30.7	Very low	157 Å²	157	145.3 Å²	145.3	96%	0.963	81%	0.805	S	S	*	*			trans	177.5	151	143.9	21.3	0	0	0	0	109.4
6	G	32.2	Very low	30.6	Very low	67 Å²	67	143.1 Å²	143.1	69%	0.691	80%	0.803	S	S	*	*			cis	174.7	51.6	-2.9	0	0	0	0	0	117.6
7	A	32.7	Very low	31.2	Very low	114 Å²	114	141.2 Å²	141.2	94%	0.942	80%	0.798	S	S	*	*			trans	59.1	178	161	0	0	0	0	0	118.9
8	G	26.9	Very low	31	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	80%	0.796	S	S	*	*			trans	-157.2	173.1	174.9	0	0	0	0	0	111.2
9	N	28.4	Very low	30.9	Very low	171 Å²	171	145.3 Å²	145.3	91%	0.914	80%	0.797	S	S	*	*			trans	-165.9	166.5	170	-116	-35.3	0	0	0	114.7
10	S	28.2	Very low	30.8	Very low	100 Å²	100	147.8 Å²	147.8	70%	0.699	79%	0.794	S	S	*	*			trans	-82.8	166.4	-176.6	-51.4	0	0	0	0	115.1
11	L	29.4	Very low	30.6	Very low	167 Å²	167	146.9 Å²	146.9	87%	0.874	79%	0.789	S	S	*	*			trans	178.8	169.3	144.1	-112.4	69.4	0	0	0	107.4
12	V	29.1	Very low	30.5	Very low	104 Å²	104	144.8 Å²	144.8	63%	0.63	78%	0.776	S	S	*	*				-174.5	170.6	-55.5	131.2	0	0	0	0	109.6
13	H	29.3	Very low	30.3	Very low	146 Å²	146	143 Å²	143	68%	0.676	78%	0.775	S	S	*	*			trans	76.7	156	171.3	-69.3	-13.6	0	0	0	117.7
14	K	28.3	Very low	30	Very low	146 Å²	146	142.2 Å²	142.2	64%	0.635	78%	0.775	S	S	*	*			cis	-161.3	148.4	-16.3	-112.7	163.2	179.9	153.8	0	110.8
15	R	27.3	Very low	29.8	Very low	235 Å²	235	143.8 Å²	143.8	89%	0.887	78%	0.782	S	S	*	*			trans	50.5	130.5	149.2	-67.5	179	174.3	172.9	-3.6	121.5
16	S	29.9	Very low	29.5	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	78%	0.776	S	S	*	*			trans	-84.4	172	156.7	56.9	0	0	0	0	111.8
17	P	39.9	Very low	29.3	Very low	112 Å²	112	145.1 Å²	145.1	73%	0.727	78%	0.782	S	S	*	*				-157.3	152.5	98.1	40.7	-21.7	0	0	0	119.2
18	L	29	Very low	29.1	Very low	144 Å²	144	146.4 Å²	146.4	75%	0.754	77%	0.772	S	S	*	*			trans	64.9	138.5	140	-98.1	68	0	0	0	125.5
19	R	29.1	Very low	29.1	Very low	215 Å²	215	149.8 Å²	149.8	81%	0.811	78%	0.78	S	S	*	*			trans	76.1	152.9	147.4	-69.5	177.6	177.5	-159.2	2.2	119.8
20	R	28.5	Very low	29.2	Very low	196 Å²	196	150.4 Å²	150.4	74%	0.74	78%	0.775	S	S	*	*			cis	-172.2	140.9	-25.6	175.6	172.6	-171.7	-170.6	6.4	110.7
21	N	26.3	Very low	29.2	Very low	128 Å²	128	153.7 Å²	153.7	68%	0.684	78%	0.783	S	S	*	*			trans	57.9	128.5	163.5	-72.3	13.7	0	0	0	119.4
22	Q	28.2	Very low	29.1	Very low	196 Å²	196	151.3 Å²	151.3	92%	0.916	78%	0.781	S	S	*	*				-160	168.8	98.3	-103	175.3	75.3	0	0	110.9
23	K	29.1	Very low	29.1	Very low	191 Å²	191	154 Å²	154	83%	0.83	79%	0.791	S	S	*	*			trans	-124	142.9	-178	-78.6	-172.6	174.1	-174.8	0	110.7
24	T	29.3	Very low	29.2	Very low	120 Å²	120	155.8 Å²	155.8	74%	0.736	80%	0.8	S	S	*	*			trans	17.6	137.9	147.7	58.8	0	0	0	0	119.6
25	P	30.1	Very low	29.2	Very low	135 Å²	135	156.5 Å²	156.5	88%	0.877	81%	0.81	S	S	*	*				-132.3	170.2	102	38.7	-32.1	0	0	0	115.3
26	T	28.3	Very low	29.3	Very low	135 Å²	135	147.6 Å²	147.6	83%	0.828	79%	0.792	S	S	*	*			trans	-112.7	143.2	-173.7	-40.1	0	0	0	0	110.8
27	S	27.9	Very low	29.6	Very low	117 Å²	117	152.3 Å²	152.3	82%	0.818	80%	0.802	S	S	*	*			trans	-173.9	159.7	151.8	-169.1	0	0	0	0	112.9
28	L	29.8	Very low	29.3	Very low	141 Å²	141	156.3 Å²	156.3	74%	0.738	81%	0.807	S	S	*	*				-174.2	100.5	-57	-143.1	176.7	0	0	0	110
29	T	25.7	Very low	29.8	Very low	137 Å²	137	153.9 Å²	153.9	84%	0.84	81%	0.808	S	S	*	*			trans	173.6	160.4	158.1	33.7	0	0	0	0	110
30	K	31.9	Very low	30.3	Very low	183 Å²	183	153.5 Å²	153.5	80%	0.796	81%	0.812	S	S	*	*			cis	-172.3	166.8	-44.4	-141.1	179.9	-177.3	-177.6	0	106.1
31	L	27.9	Very low	30.8	Very low	169 Å²	169	153.2 Å²	153.2	89%	0.885	82%	0.816	S	S	*	*			trans	74.4	141.1	-178.9	-49.4	165.2	0	0	0	114.1
32	S	26.2	Very low	31.6	Very low	118 Å²	118	151.1 Å²	151.1	83%	0.825	81%	0.809	S	S	*	*			cis	-146.4	171.1	-16.4	-161.5	0	0	0	0	110.3
33	L	30.4	Very low	33	Very low	160 Å²	160	146 Å²	146	84%	0.838	80%	0.8	S	S	*	*			trans	-108.4	168.4	-174.1	-93.8	159.3	0	0	0	113.4
34	Q	31.1	Very low	34.7	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	78%	0.776	S	S	*	*			trans	86.1	135.2	179.2	-51.8	-178.8	39.6	0	0	113.3
35	D	27.7	Very low	37.1	Very low	160 Å²	160	139 Å²	139	86%	0.856	77%	0.765	S	S	*	*			cis	-113.7	161.8	21.1	-154.8	-8.1	0	0	0	114.6
36	G	29.7	Very low	39.9	Very low	49 Å²	49	133.9 Å²	133.9	51%	0.505	73%	0.729	S	S	.	*			trans	-140.9	113.5	-179.9	0	0	0	0	0	112.1	K38	G36-K38 PolarHBondContact O-N 3.01Å
37	H	36.2	Very low	42.8	Very low	209 Å²	209	133.1 Å²	133.1	97%	0.968	72%	0.716	S	S	*	*			trans	-56	93.9	175.6	-82.8	-90.1	0	0	0	111.6	A39	H37-A39 PolarHBondContact O-N 3.28Å
38	K	33.6	Very low	46	Very low	196 Å²	196	133.5 Å²	133.5	85%	0.852	71%	0.705	S	S	*	*			trans	-65.7	105.9	168.3	-71.2	174.2	-177.8	167.6	0	108	G36 K40	G36-K38 PolarHBondContact O-N 3.01Å; K38-K40 PolarHBondContact O-N 2.71Å
39	A	38.7	Very low	48.9	Very low	92 Å²	92	128.8 Å²	128.8	76%	0.76	69%	0.691	S	S	*	*			trans	-52.2	117.3	164.6	0	0	0	0	0	108.3	H37 K41	H37-A39 PolarHBondContact O-N 3.28Å; A39-K41 PolarHBondContact O-N 3.25Å
40	K	38.9	Very low	52	Low	207 Å²	207	124.1 Å²	124.1	90%	0.9	66%	0.659	S	S	*	*			trans	-58.7	108.2	176.9	-74.4	-175.3	177.6	-179	0	107.4	K38	K38-K40 PolarHBondContact O-N 2.71Å
41	K	40.8	Very low	54.9	Low	191 Å²	191	117.9 Å²	117.9	83%	0.83	64%	0.635	S	S	*	*			trans	-54.5	135.6	166.4	-69.9	-177.8	178.2	179.6	0	106.9	A39 A43	A39-K41 PolarHBondContact O-N 3.25Å; K41-A43 PolarHBondContact O-N 3.4Å
42	P	42.8	Very low	58	Low	83 Å²	83	110 Å²	110	54%	0.539	59%	0.593	S	S	.	*			trans	-60.6	112	174.4	25.1	-32.6	0	0	0	108.2	C44	P42-C44 PolarHBondContact O-N 2.82Å
43	A	57.4	Low	61.2	Low	88 Å²	88	106.6 Å²	106.6	73%	0.727	57%	0.566	S	S	*	*			trans	-62.3	124.5	173.3	0	0	0	0	0	107.8	K41 K45	K41-A43 PolarHBondContact O-N 3.4Å; A43-K45 PolarHBondContact O-N 2.69Å
44	C	64.6	Low	64.2	Low	47 Å²	47	99 Å²	99	32%	0.318	53%	0.526	S	S	.	.			trans	-70.9	115.4	-179.5	-169	0	0	0	0	108.5	P42 F46 W90	P42-C44 PolarHBondContact O-N 2.82Å; C44-F46 PolarHBondContact O-N 2.91Å; C44-F46 VanDerWaalsContact O-N 3.08Å; C44-W90 HydrophobicContact CB-CZ2 4.49Å
45	K	79.8	Confident	67.2	Low	117 Å²	117	91.8 Å²	91.8	51%	0.509	49%	0.491	S	S	.	.			trans	-78	19.9	179.3	-59	-166.9	176.7	-167	0	113.2	A43	A43-K45 PolarHBondContact O-N 2.69Å
46	F	87.9	Confident	70.5	Confident	29 Å²	29	88.9 Å²	88.9	13%	0.127	47%	0.468	C	S	.	.			trans	-140.5	147.4	-166.6	-51.2	-68.4	0	0	0	110.8	C44 I66 I69 W90 I93 T95	C44-F46 PolarHBondContact O-N 2.91Å; C44-F46 VanDerWaalsContact O-N 3.08Å; F46-I66 HydrophobicContact CB-CD1 3.9Å; F46-I66 HydrophobicContact CD1-CD1 4.01Å; F46-I66 HydrophobicContact CG-CD1 4.21Å; F46-I69 HydrophobicContact CB-CD1 4.02Å; F46-I69 WeakPolarHBondContact O-CD1 3.44Å; F46-W90 AromaticContact CD2-CD1 3.69Å; F46-W90 HydrophobicContact CD2-CD2 4.38Å; F46-W90 HydrophobicContact CD2-CG 4.09Å; F46-W90 AromaticContact CD2-NE1 3.76Å; F46-W90 HydrophobicContact CE2-CB 3.77Å; F46-W90 AromaticContact CE2-CD1 3.45Å; F46-W90 VanDerWaalsContact CE2-CD1 3.45Å; F46-W90 HydrophobicContact CE2-CD2 4.09Å; F46-W90 AromaticContact CE2-CG 3.51Å; F46-W90 HydrophobicContact CE2-CG 3.51Å; F46-W90 AromaticContact CE2-NE1 3.98Å; F46-W90 HydrophobicContact CZ-CB 4.32Å; F46-W90 HydrophobicContact CZ-CG 4.45Å; F46-I93 HydrophobicContact CD1-CG2 4.01Å; F46-I93 HydrophobicContact CE1-CB 3.83Å; F46-I93 HydrophobicContact CE1-CG2 3.45Å; F46-I93 VanDerWaalsContact CE1-CG2 3.45Å; F46-I93 HydrophobicContact CZ-CB 3.96Å; F46-I93 HydrophobicContact CZ-CG2 4.12Å; F46-T95 HydrophobicContact CD1-CG2 3.93Å; F46-T95 HydrophobicContact CE1-CG2 3.86Å
47	E	90.6	Very high	73.6	Confident	118 Å²	118	87.4 Å²	87.4	55%	0.551	45%	0.45	S	S	*	.			trans	-133.6	159.4	179.9	64.1	-159.6	151.1	0	0	110.6	Q50 I66	E47-Q50 HydrophobicContact CG-CB 3.68Å; E47-Q50 HydrophobicContact CG-CG 4.06Å; E47-Q50 WeakPolarHBondContact O-CB 3.4Å; E47-Q50 PolarHBondContact OE1-NE2 2.83Å; E47-I66 WeakPolarHBondContact O-CG2 3.42Å
48	E	93.6	Very high	76.4	Confident	125 Å²	125	79.3 Å²	79.3	58%	0.584	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	130.6	178.3	-66.5	-174.5	-176.6	0	0	110.4	I66 K68 I69	E48-I66 HydrophobicContact CG-CG2 4.45Å; E48-K68 VanDerWaalsContact OE1-CA 3.25Å; E48-K68 WeakPolarHBondContact OE1-CA 3.05Å; E48-I69 HydrophobicContact CG-CD1 4.25Å; E48-I69 HydrophobicContact CG-CG1 4.06Å; E48-I69 PolarHBondContact OE1-N 2.99Å; E48-I69 VanDerWaalsContact OE1-N 3.14Å
49	G	91.4	Very high	79.2	Confident	42 Å²	42	70.1 Å²	70.1	43%	0.433	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.6	-11.2	-168.9	0	0	0	0	0	114.5	T65 I66	G49-T65 VanDerWaalsContact O-CG2 3.25Å; G49-T65 WeakPolarHBondContact O-CG2 3.41Å; G49-I66 PolarHBondContact N-O 3.02Å
50	Q	91.3	Very high	81.8	Confident	39 Å²	39	66.7 Å²	66.7	18%	0.182	34%	0.344	C	S	.	.			trans	-69.2	131.5	179.5	-157.5	175.9	53.9	0	0	112.6	E47 V52 T65 I66	E47-Q50 HydrophobicContact CG-CB 3.68Å; E47-Q50 HydrophobicContact CG-CG 4.06Å; E47-Q50 WeakPolarHBondContact O-CB 3.4Å; E47-Q50 PolarHBondContact OE1-NE2 2.83Å; Q50-V52 HydrophobicContact CG-CG1 4.15Å; Q50-T65 CarbonylContact O-C 3.35Å; Q50-T65 WeakPolarHBondContact O-CA 3.24Å; Q50-I66 HydrophobicContact CB-CD1 4.4Å; Q50-I66 PolarHBondContact O-N 2.85Å
51	D	93.1	Very high	84.4	Confident	53 Å²	53	58.9 Å²	58.9	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.2	168.5	-80.5	-22.5	0	0	0	111	L63 T65 L548	D51-L63 HydrophobicContact CB-CD1 4.35Å; D51-T65 VanDerWaalsContact OD1-CB 3.3Å; D51-T65 WeakPolarHBondContact OD1-CB 3.34Å; D51-T65 WeakPolarHBondContact OD1-CG2 3.23Å; D51-T65 PolarHBondContact OD1-OG1 2.87Å; D51-L548 HydrophobicContact CB-CD2 4.28Å
52	V	92.3	Very high	87	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.9	-172.5	-66	0	0	0	0	111.7	Q50 G64 I66 I78 I93 Q94 T95	Q50-V52 HydrophobicContact CG-CG1 4.15Å; V52-G64 WeakPolarHBondContact CG2-O 3.19Å; V52-G64 PolarHBondContact N-O 2.75Å; V52-G64 PolarHBondContact O-N 3.45Å; V52-G64 VanDerWaalsContact O-O 3.14Å; V52-I66 HydrophobicContact CG1-CD1 3.88Å; V52-I66 HydrophobicContact CG1-CG1 4.34Å; V52-I66 HydrophobicContact CG2-CD1 4.13Å; V52-I66 HydrophobicContact CG2-CG1 3.83Å; V52-I78 HydrophobicContact CG2-CD1 3.8Å; V52-I78 HydrophobicContact CG2-CG1 4.48Å; V52-I93 HydrophobicContact CB-CG2 3.67Å; V52-I93 HydrophobicContact CG1-CG2 3.84Å; V52-I93 HydrophobicContact CG2-CG2 3.75Å; V52-Q94 WeakPolarHBondContact CA-O 3.42Å; V52-Q94 WeakPolarHBondContact CB-O 3.44Å; V52-T95 HydrophobicContact CG1-CG2 4.46Å
53	L	92.4	Very high	89.4	Confident	48 Å²	48	50.2 Å²	50.2	25%	0.251	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.1	168.5	-69.2	176.9	0	0	0	109.2	F61 Y62 L63 Q94	L53-F61 HydrophobicContact CB-CB 4.35Å; L53-F61 HydrophobicContact CB-CD1 4.02Å; L53-Y62 CarbonylContact C-O 3.54Å; L53-Y62 WeakPolarHBondContact CA-O 3.46Å; L53-L63 HydrophobicContact CD2-CB 4.38Å; L53-Q94 HydrophobicContact CB-CB 4.12Å; L53-Q94 PolarHBondContact N-O 3.31Å; L53-Q94 WeakPolarHBondContact O-CB 3.44Å; L53-Q94 PolarHBondContact O-N 2.86Å
54	A	94.2	Very high	91.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.8	179.4	0	0	0	0	0	111.1	F61 Y62 I78 F80 V88 D92	A54-F61 CarbonylContact O-C 3.55Å; A54-F61 WeakPolarHBondContact O-CA 3.39Å; A54-Y62 PolarHBondContact N-O 3.43Å; A54-Y62 PolarHBondContact O-N 3.2Å; A54-I78 HydrophobicContact CB-CD1 3.7Å; A54-F80 HydrophobicContact CB-CE1 3.84Å; A54-F80 HydrophobicContact CB-CZ 4.2Å; A54-V88 HydrophobicContact CB-CG1 4.18Å; A54-V88 HydrophobicContact CB-CG2 4.23Å; A54-D92 CarbonylContact C-O 3.6Å; A54-D92 WeakPolarHBondContact CA-O 3.41Å
55	R	95.2	Very high	92.7	Very high	32 Å²	32	45.6 Å²	45.6	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.1	177.3	-169	-169.4	-66.6	124.7	-6	110.4	L60 F61 K91 D92 G208	R55-L60 CarbonylContact C-O 3.52Å; R55-L60 WeakPolarHBondContact CA-O 3.47Å; R55-F61 HydrophobicContact CB-CD1 3.99Å; R55-F61 HydrophobicContact CB-CE1 3.84Å; R55-F61 HydrophobicContact CB-CZ 4.34Å; R55-K91 PolarHBondContact NH1-O 3.23Å; R55-K91 VanDerWaalsContact NH1-O 3.14Å; R55-D92 HydrophobicContact CB-CB 4.07Å; R55-D92 IonicContact CZ-OD1 2.69Å; R55-D92 PolarHBondContact N-O 2.84Å; R55-D92 IonicContact NH1-OD1 3.58Å; R55-D92 PolarHBondContact NH1-OD1 2.8Å; R55-G208 VanDerWaalsContact CD-CA 3.48Å
56	W	96.3	Very high	93.5	Very high	100 Å²	100	40 Å²	40	38%	0.379	20%	0.201	S	C	.	.			trans	-95.8	174.4	179.7	-162.3	-108.8	0	0	0	113	D58 G59 L60 Y62 F80	W56-D58 PolarHBondContact O-N 3.2Å; W56-D58 VanDerWaalsContact O-N 3.14Å; W56-G59 PolarHBondContact O-N 3.28Å; W56-L60 PolarHBondContact N-O 3.13Å; W56-Y62 HydrophobicContact CB-CD2 3.66Å; W56-Y62 HydrophobicContact CB-CE2 3.55Å; W56-Y62 HydrophobicContact CG-CE2 4.34Å; W56-F80 HydrophobicContact CE3-CE2 4.4Å; W56-F80 HydrophobicContact CE3-CZ 4.04Å; W56-F80 HydrophobicContact CZ3-CE2 4.1Å; W56-F80 HydrophobicContact CZ3-CZ 4.11Å
57	S	95.6	Very high	93.9	Very high	18 Å²	18	43.3 Å²	43.3	13%	0.126	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2	-177.9	70.5	0	0	0	0	115.2	D211 H227	S57-D211 WeakPolarHBondContact CB-OD2 3.24Å; S57-D211 PolarHBondContact OG-OD2 2.79Å; S57-H227 PolarHBondContact O-CD2 2.83Å; S57-H227 PolarHBondContact O-NE2 2.81Å; S57-H227 VanDerWaalsContact O-NE2 3.15Å
58	D	94.5	Very high	94.1	Very high	39 Å²	39	43.8 Å²	43.8	21%	0.209	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.5	166.3	69.2	-6.2	0	0	0	113.3	W56 L60 Y62 H227 A229	W56-D58 PolarHBondContact O-N 3.2Å; W56-D58 VanDerWaalsContact O-N 3.14Å; D58-L60 WeakPolarHBondContact OD1-CB 3.5Å; D58-L60 PolarHBondContact OD1-N 3.09Å; D58-Y62 PolarHBondContact OD2-OH 3.06Å; D58-H227 WeakPolarHBondContact O-CB 3.41Å; D58-A229 WeakPolarHBondContact O-CB 3.39Å
59	G	91.7	Very high	94.3	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	85	-0.5	-178.7	0	0	0	0	0	114.9	W56	W56-G59 PolarHBondContact O-N 3.28Å
60	L	94.1	Very high	94.4	Very high	20 Å²	20	39.9 Å²	39.9	11%	0.105	19%	0.188	C	C	.	.			trans	-91.6	157.4	178.8	-60.2	178.8	0	0	0	111.9	R55 W56 D58 Y62 T160 R162 A229	R55-L60 CarbonylContact C-O 3.52Å; R55-L60 WeakPolarHBondContact CA-O 3.47Å; W56-L60 PolarHBondContact N-O 3.13Å; D58-L60 WeakPolarHBondContact OD1-CB 3.5Å; D58-L60 PolarHBondContact OD1-N 3.09Å; L60-Y62 HydrophobicContact CB-CE2 3.8Å; L60-T160 WeakPolarHBondContact CD2-O 2.93Å; L60-T160 WeakPolarHBondContact CD2-OG1 3.42Å; L60-R162 HydrophobicContact CD1-CG 3.55Å; L60-A229 HydrophobicContact CD2-CB 3.85Å; L60-A229 HydrophobicContact CG-CB 4.05Å
61	F	92.9	Very high	94.5	Very high	42 Å²	42	43.4 Å²	43.4	18%	0.184	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.6	172.9	-74	-82.7	0	0	0	111.4	L53 A54 R55 Q94 Q153	L53-F61 HydrophobicContact CB-CB 4.35Å; L53-F61 HydrophobicContact CB-CD1 4.02Å; A54-F61 CarbonylContact O-C 3.55Å; A54-F61 WeakPolarHBondContact O-CA 3.39Å; R55-F61 HydrophobicContact CB-CD1 3.99Å; R55-F61 HydrophobicContact CB-CE1 3.84Å; R55-F61 HydrophobicContact CB-CZ 4.34Å; F61-Q94 HydrophobicContact CE1-CB 4.18Å; F61-Q153 HydrophobicContact CE2-CG 4.42Å; F61-Q153 HydrophobicContact CZ-CG 4.28Å
62	Y	94.8	Very high	94.4	Very high	62 Å²	62	48.9 Å²	48.9	24%	0.243	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.8	179.3	-66	-95.2	0	0	0	109.7	L53 A54 W56 D58 L60 R162	L53-Y62 CarbonylContact C-O 3.54Å; L53-Y62 WeakPolarHBondContact CA-O 3.46Å; A54-Y62 PolarHBondContact N-O 3.43Å; A54-Y62 PolarHBondContact O-N 3.2Å; W56-Y62 HydrophobicContact CB-CD2 3.66Å; W56-Y62 HydrophobicContact CB-CE2 3.55Å; W56-Y62 HydrophobicContact CG-CE2 4.34Å; D58-Y62 PolarHBondContact OD2-OH 3.06Å; L60-Y62 HydrophobicContact CB-CE2 3.8Å; Y62-R162 PolarHBondContact OH-NH2 3.15Å
63	L	94.3	Very high	94.3	Very high	31 Å²	31	56.1 Å²	56.1	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.6	174.3	178.6	59.9	0	0	0	110.4	D51 L53 E81 L548 I552	D51-L63 HydrophobicContact CB-CD1 4.35Å; L53-L63 HydrophobicContact CD2-CB 4.38Å; L63-E81 HydrophobicContact CB-CG 4.14Å; L63-E81 HydrophobicContact CD2-CG 4.43Å; L63-E81 HydrophobicContact CG-CG 4.42Å; L63-L548 HydrophobicContact CD1-CD2 3.81Å; L63-I552 HydrophobicContact CD2-CD1 4.01Å
64	G	94.9	Very high	94.4	Very high	3 Å²	3	59 Å²	59	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	160.9	168	0	0	0	0	0	113.2	V52 I79	V52-G64 WeakPolarHBondContact CG2-O 3.19Å; V52-G64 PolarHBondContact N-O 2.75Å; V52-G64 PolarHBondContact O-N 3.45Å; V52-G64 VanDerWaalsContact O-O 3.14Å; G64-I79 CarbonylContact C-O 3.54Å; G64-I79 WeakPolarHBondContact CA-O 3.42Å
65	T	96.3	Very high	94.4	Very high	35 Å²	35	59.3 Å²	59.3	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.2	-179.4	-40.4	0	0	0	0	110.5	G49 Q50 D51 I78 I79	G49-T65 VanDerWaalsContact O-CG2 3.25Å; G49-T65 WeakPolarHBondContact O-CG2 3.41Å; Q50-T65 CarbonylContact O-C 3.35Å; Q50-T65 WeakPolarHBondContact O-CA 3.24Å; D51-T65 VanDerWaalsContact OD1-CB 3.3Å; D51-T65 WeakPolarHBondContact OD1-CB 3.34Å; D51-T65 WeakPolarHBondContact OD1-CG2 3.23Å; D51-T65 PolarHBondContact OD1-OG1 2.87Å; T65-I78 WeakPolarHBondContact O-CA 3.34Å; T65-I79 PolarHBondContact N-O 2.88Å; T65-I79 PolarHBondContact O-N 2.91Å
66	I	96.4	Very high	94.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.4	172.7	-66.2	176.1	0	0	0	109.7	F46 E47 E48 G49 Q50 V52 I69 C76 I78	F46-I66 HydrophobicContact CB-CD1 3.9Å; F46-I66 HydrophobicContact CD1-CD1 4.01Å; F46-I66 HydrophobicContact CG-CD1 4.21Å; E47-I66 WeakPolarHBondContact O-CG2 3.42Å; E48-I66 HydrophobicContact CG-CG2 4.45Å; G49-I66 PolarHBondContact N-O 3.02Å; Q50-I66 HydrophobicContact CB-CD1 4.4Å; Q50-I66 PolarHBondContact O-N 2.85Å; V52-I66 HydrophobicContact CG1-CD1 3.88Å; V52-I66 HydrophobicContact CG1-CG1 4.34Å; V52-I66 HydrophobicContact CG2-CD1 4.13Å; V52-I66 HydrophobicContact CG2-CG1 3.83Å; I66-I69 HydrophobicContact CG2-CD1 4.4Å; I66-I69 HydrophobicContact CG2-CG1 3.9Å; I66-C76 HydrophobicContact CD1-CB 4.18Å; I66-C76 HydrophobicContact CG1-CB 4.14Å; I66-C76 HydrophobicContact CG2-CB 4.09Å; I66-I78 HydrophobicContact CG1-CD1 4.4Å; I66-I78 HydrophobicContact CG1-CG1 4.03Å
67	K	96.1	Very high	94.5	Very high	97 Å²	97	55.3 Å²	55.3	42%	0.422	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-16.9	178.4	-67.2	-57.9	-178.2	-163	0	115.7	F77 I79	K67-F77 HydrophobicContact CB-CD1 4.47Å; K67-F77 PolarHBondContact N-O 3.26Å; K67-I79 HydrophobicContact CD-CD1 4.47Å; K67-I79 HydrophobicContact CG-CD1 3.63Å; K67-I79 HydrophobicContact CG-CG1 3.75Å
68	K	95.7	Very high	94.6	Very high	128 Å²	128	54.5 Å²	54.5	56%	0.557	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.1	145.2	167.2	-59.1	-168.1	176.3	-166.7	0	110.6	E48 C76 F77 W87	E48-K68 VanDerWaalsContact OE1-CA 3.25Å; E48-K68 WeakPolarHBondContact OE1-CA 3.05Å; K68-C76 CarbonylContact O-C 3.59Å; K68-C76 WeakPolarHBondContact O-CA 3.45Å; K68-F77 HydrophobicContact CB-CB 3.84Å; K68-F77 HydrophobicContact CG-CB 4.49Å; K68-F77 PolarHBondContact N-O 3.41Å; K68-F77 PolarHBondContact O-N 3.16Å; K68-W87 HydrophobicContact CB-CH2 4.15Å
69	I	96.3	Very high	94.7	Very high	43 Å²	43	54.6 Å²	54.6	22%	0.221	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.8	173.6	-59.5	178.1	0	0	0	110.8	F46 E48 I66 I71 W90	F46-I69 HydrophobicContact CB-CD1 4.02Å; F46-I69 WeakPolarHBondContact O-CD1 3.44Å; E48-I69 HydrophobicContact CG-CD1 4.25Å; E48-I69 HydrophobicContact CG-CG1 4.06Å; E48-I69 PolarHBondContact OE1-N 2.99Å; E48-I69 VanDerWaalsContact OE1-N 3.14Å; I66-I69 HydrophobicContact CG2-CD1 4.4Å; I66-I69 HydrophobicContact CG2-CG1 3.9Å; I69-I71 HydrophobicContact CG2-CG1 4.32Å; I69-W90 HydrophobicContact CG2-CZ2 4.23Å
70	N	94.4	Very high	94.9	Very high	42 Å²	42	55.4 Å²	55.4	23%	0.225	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	95.8	175.3	-170.8	-27.1	0	0	0	110.6	L72 K73 Q74 S75 W87	N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 3.49Å; N70-L72 PolarHBondContact OD1-N 2.93Å; N70-K73 HydrophobicContact CB-CB 4.44Å; N70-K73 CarbonylContact O-C 3.58Å; N70-K73 PolarHBondContact O-N 2.95Å; N70-K73 PolarHBondContact OD1-N 2.83Å; N70-Q74 PolarHBondContact O-N 3.1Å; N70-S75 WeakPolarHBondContact CA-O 3.37Å; N70-S75 PolarHBondContact N-O 2.94Å; N70-S75 PolarHBondContact O-N 2.82Å; N70-S75 VanDerWaalsContact O-N 3.11Å; N70-W87 HydrophobicContact CB-CE3 4.28Å; N70-W87 HydrophobicContact CB-CH2 3.86Å; N70-W87 HydrophobicContact CB-CZ3 3.44Å; N70-W87 VanDerWaalsContact CB-CZ3 3.44Å
71	I	92.4	Very high	95	Very high	113 Å²	113	61.3 Å²	61.3	58%	0.579	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-38.7	-179.1	-57.2	172.6	0	0	0	111.3	I69 K73 Q74 W90	I69-I71 HydrophobicContact CG2-CG1 4.32Å; I71-K73 PolarHBondContact O-N 2.94Å; I71-Q74 PolarHBondContact O-N 3.33Å; I71-W90 HydrophobicContact CB-CH2 4.46Å; I71-W90 HydrophobicContact CG2-CH2 4.25Å
72	L	91.6	Very high	95.1	Very high	169 Å²	169	64.9 Å²	64.9	89%	0.885	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-32.6	-178.4	-63.7	176.1	0	0	0	112.8	N70	N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 3.49Å; N70-L72 PolarHBondContact OD1-N 2.93Å
73	K	90.5	Very high	95.1	Very high	153 Å²	153	65.6 Å²	65.6	67%	0.665	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	12.2	177.1	-64.9	-167.4	173.3	-170.2	0	113.4	N70 I71 S75	N70-K73 HydrophobicContact CB-CB 4.44Å; N70-K73 CarbonylContact O-C 3.58Å; N70-K73 PolarHBondContact O-N 2.95Å; N70-K73 PolarHBondContact OD1-N 2.83Å; I71-K73 PolarHBondContact O-N 2.94Å; K73-S75 WeakPolarHBondContact CB-OG 3.42Å; K73-S75 WeakPolarHBondContact O-CB 3.44Å; K73-S75 PolarHBondContact O-N 3.16Å; K73-S75 PolarHBondContact O-OG 2.76Å
74	Q	93.3	Very high	95.2	Very high	108 Å²	108	66.5 Å²	66.5	51%	0.505	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.6	49.7	-178.3	-62.3	-172.4	-19.2	0	0	113.1	N70 I71 W90	N70-Q74 PolarHBondContact O-N 3.1Å; I71-Q74 PolarHBondContact O-N 3.33Å; Q74-W90 VanDerWaalsContact C-CD1 3.49Å; Q74-W90 VanDerWaalsContact C-CG 3.46Å; Q74-W90 HydrophobicContact CB-CD2 3.85Å; Q74-W90 HydrophobicContact CB-CE3 3.62Å; Q74-W90 HydrophobicContact CB-CG 4.33Å; Q74-W90 HydrophobicContact CB-CZ3 4.07Å; Q74-W90 HydrophobicContact CG-CD2 4.48Å; Q74-W90 HydrophobicContact CG-CE3 3.81Å; Q74-W90 HydrophobicContact CG-CH2 4.43Å; Q74-W90 HydrophobicContact CG-CZ3 3.78Å; Q74-W90 PolarHBondContact O-N 3.26Å
75	S	95.1	Very high	95.3	Very high	7 Å²	7	72 Å²	72	5%	0.049	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.3	-172.7	37.9	0	0	0	0	112.6	N70 K73 V88	N70-S75 WeakPolarHBondContact CA-O 3.37Å; N70-S75 PolarHBondContact N-O 2.94Å; N70-S75 PolarHBondContact O-N 2.82Å; N70-S75 VanDerWaalsContact O-N 3.11Å; K73-S75 WeakPolarHBondContact CB-OG 3.42Å; K73-S75 WeakPolarHBondContact O-CB 3.44Å; K73-S75 PolarHBondContact O-N 3.16Å; K73-S75 PolarHBondContact O-OG 2.76Å; S75-V88 CarbonylContact C-O 3.22Å; S75-V88 WeakPolarHBondContact CA-O 3.48Å; S75-V88 WeakPolarHBondContact CB-O 3.27Å
76	C	96.4	Very high	95.3	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.4	174.8	-58	0	0	0	0	109.9	I66 K68 I78 W87 V88 W90 I93	I66-C76 HydrophobicContact CD1-CB 4.18Å; I66-C76 HydrophobicContact CG1-CB 4.14Å; I66-C76 HydrophobicContact CG2-CB 4.09Å; K68-C76 CarbonylContact O-C 3.59Å; K68-C76 WeakPolarHBondContact O-CA 3.45Å; C76-I78 HydrophobicContact CB-CG1 4.34Å; C76-W87 CarbonylContact O-C 3.29Å; C76-W87 WeakPolarHBondContact O-CA 3.42Å; C76-V88 PolarHBondContact N-O 3.14Å; C76-V88 PolarHBondContact O-N 2.67Å; C76-W90 PolarHBondContact SG-NE1 3.49Å; C76-W90 VanDerWaalsContact SG-NE1 3.4Å; C76-I93 HydrophobicContact CB-CD1 3.6Å
77	F	96.9	Very high	95.3	Very high	49 Å²	49	77.6 Å²	77.6	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.1	170.5	-170.4	-113.1	0	0	0	108.3	K67 K68 K85 S86 W87	K67-F77 HydrophobicContact CB-CD1 4.47Å; K67-F77 PolarHBondContact N-O 3.26Å; K68-F77 HydrophobicContact CB-CB 3.84Å; K68-F77 HydrophobicContact CG-CB 4.49Å; K68-F77 PolarHBondContact N-O 3.41Å; K68-F77 PolarHBondContact O-N 3.16Å; F77-K85 HydrophobicContact CE1-CB 4.14Å; F77-K85 HydrophobicContact CE1-CD 4.32Å; F77-K85 HydrophobicContact CE2-CB 4.11Å; F77-K85 HydrophobicContact CZ-CB 3.58Å; F77-K85 HydrophobicContact CZ-CD 4.26Å; F77-K85 HydrophobicContact CZ-CG 4.5Å; F77-S86 WeakPolarHBondContact CA-O 3.36Å; F77-W87 HydrophobicContact CB-CD2 4.07Å; F77-W87 HydrophobicContact CB-CE3 3.96Å; F77-W87 HydrophobicContact CB-CH2 3.91Å; F77-W87 HydrophobicContact CB-CZ2 4.03Å; F77-W87 HydrophobicContact CB-CZ3 3.87Å; F77-W87 AromaticContact CD2-CD1 3.88Å; F77-W87 HydrophobicContact CD2-CD2 4.01Å; F77-W87 AromaticContact CD2-CE2 3.75Å; F77-W87 HydrophobicContact CD2-CG 4.1Å; F77-W87 HydrophobicContact CD2-CZ2 4.27Å; F77-W87 AromaticContact CD2-NE1 3.66Å; F77-W87 HydrophobicContact CG-CZ2 4.38Å
78	I	97.2	Very high	95.4	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.5	-172.7	-65.4	176.1	0	0	0	109.4	V52 A54 T65 I66 C76 F80 K85 S86 V88 I93	V52-I78 HydrophobicContact CG2-CD1 3.8Å; V52-I78 HydrophobicContact CG2-CG1 4.48Å; A54-I78 HydrophobicContact CB-CD1 3.7Å; T65-I78 WeakPolarHBondContact O-CA 3.34Å; I66-I78 HydrophobicContact CG1-CD1 4.4Å; I66-I78 HydrophobicContact CG1-CG1 4.03Å; C76-I78 HydrophobicContact CB-CG1 4.34Å; I78-F80 HydrophobicContact CG2-CD1 4.35Å; I78-F80 HydrophobicContact CG2-CE1 4.13Å; I78-F80 HydrophobicContact CG2-CE2 4.39Å; I78-F80 HydrophobicContact CG2-CZ 4.15Å; I78-K85 WeakPolarHBondContact O-CA 3.48Å; I78-S86 PolarHBondContact N-O 2.91Å; I78-S86 PolarHBondContact O-N 2.91Å; I78-S86 VanDerWaalsContact O-N 3.1Å; I78-V88 HydrophobicContact CD1-CB 4.06Å; I78-V88 HydrophobicContact CD1-CG2 4.05Å; I78-I93 HydrophobicContact CD1-CD1 3.94Å; I78-I93 HydrophobicContact CD1-CG1 3.98Å
79	I	97.4	Very high	95.3	Very high	42 Å²	42	69.6 Å²	69.6	22%	0.215	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.3	165.5	-56.7	-175.4	0	0	0	108.2	G64 T65 K67 S84 K85	G64-I79 CarbonylContact C-O 3.54Å; G64-I79 WeakPolarHBondContact CA-O 3.42Å; T65-I79 PolarHBondContact N-O 2.88Å; T65-I79 PolarHBondContact O-N 2.91Å; K67-I79 HydrophobicContact CD-CD1 4.47Å; K67-I79 HydrophobicContact CG-CD1 3.63Å; K67-I79 HydrophobicContact CG-CG1 3.75Å; I79-S84 WeakPolarHBondContact CA-O 3.16Å; I79-K85 HydrophobicContact CD1-CD 4.28Å; I79-K85 HydrophobicContact CG1-CD 4.2Å; I79-K85 HydrophobicContact CG1-CG 4.04Å
80	F	96.8	Very high	95.2	Very high	20 Å²	20	69.4 Å²	69.4	9%	0.088	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	169.6	177.9	-60.8	-83.9	0	0	0	112	A54 W56 I78 D82 S83 S84 V88	A54-F80 HydrophobicContact CB-CE1 3.84Å; A54-F80 HydrophobicContact CB-CZ 4.2Å; W56-F80 HydrophobicContact CE3-CE2 4.4Å; W56-F80 HydrophobicContact CE3-CZ 4.04Å; W56-F80 HydrophobicContact CZ3-CE2 4.1Å; W56-F80 HydrophobicContact CZ3-CZ 4.11Å; I78-F80 HydrophobicContact CG2-CD1 4.35Å; I78-F80 HydrophobicContact CG2-CE1 4.13Å; I78-F80 HydrophobicContact CG2-CE2 4.39Å; I78-F80 HydrophobicContact CG2-CZ 4.15Å; F80-D82 PolarHBondContact O-N 3.03Å; F80-D82 VanDerWaalsContact O-N 3.14Å; F80-S83 WeakPolarHBondContact O-CA 3.38Å; F80-S83 PolarHBondContact O-N 2.87Å; F80-S84 PolarHBondContact N-O 2.93Å; F80-V88 HydrophobicContact CZ-CG2 4.17Å
81	E	95.9	Very high	95	Very high	143 Å²	143	71.6 Å²	71.6	67%	0.668	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.6	-180	-62	177.6	122.2	0	0	113.8	L63 S83	L63-E81 HydrophobicContact CB-CG 4.14Å; L63-E81 HydrophobicContact CD2-CG 4.43Å; L63-E81 HydrophobicContact CG-CG 4.42Å; E81-S83 PolarHBondContact O-N 2.94Å
82	D	95.1	Very high	95.1	Very high	117 Å²	117	66.3 Å²	66.3	63%	0.626	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	9.6	176.7	76	-24.1	0	0	0	113.8	F80 S84	F80-D82 PolarHBondContact O-N 3.03Å; F80-D82 VanDerWaalsContact O-N 3.14Å; D82-S84 PolarHBondContact O-N 3.48Å; D82-S84 VanDerWaalsContact O-N 3.14Å; D82-S84 WeakPolarHBondContact OD1-CB 3.3Å; D82-S84 PolarHBondContact OD1-N 2.72Å; D82-S84 PolarHBondContact OD1-OG 2.84Å; D82-S84 WeakPolarHBondContact OD2-CB 3.2Å; D82-S84 PolarHBondContact OD2-OG 2.9Å
83	S	94.6	Very high	95.1	Very high	78 Å²	78	59 Å²	59	55%	0.545	29%	0.288	S	S	.	.	S	Bend	trans	60.6	8.7	-171.6	-63.5	0	0	0	0	115.5	F80 E81 K85	F80-S83 WeakPolarHBondContact O-CA 3.38Å; F80-S83 PolarHBondContact O-N 2.87Å; E81-S83 PolarHBondContact O-N 2.94Å; S83-K85 WeakPolarHBondContact O-CG 3.36Å; S83-K85 PolarHBondContact O-NZ 3.29Å
84	S	96.3	Very high	94.8	Very high	50 Å²	50	53 Å²	53	35%	0.35	26%	0.262	S	S	.	.			trans	-66.8	160	167.5	75.5	0	0	0	0	110.8	I79 F80 D82	I79-S84 WeakPolarHBondContact CA-O 3.16Å; F80-S84 PolarHBondContact N-O 2.93Å; D82-S84 PolarHBondContact O-N 3.48Å; D82-S84 VanDerWaalsContact O-N 3.14Å; D82-S84 WeakPolarHBondContact OD1-CB 3.3Å; D82-S84 PolarHBondContact OD1-N 2.72Å; D82-S84 PolarHBondContact OD1-OG 2.84Å; D82-S84 WeakPolarHBondContact OD2-CB 3.2Å; D82-S84 PolarHBondContact OD2-OG 2.9Å
85	K	96.3	Very high	94.3	Very high	118 Å²	118	49.5 Å²	49.5	51%	0.513	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.5	-168.8	-45.9	-174.9	170.1	54.6	0	110.1	F77 I78 I79 S83	F77-K85 HydrophobicContact CE1-CB 4.14Å; F77-K85 HydrophobicContact CE1-CD 4.32Å; F77-K85 HydrophobicContact CE2-CB 4.11Å; F77-K85 HydrophobicContact CZ-CB 3.58Å; F77-K85 HydrophobicContact CZ-CD 4.26Å; F77-K85 HydrophobicContact CZ-CG 4.5Å; I78-K85 WeakPolarHBondContact O-CA 3.48Å; I79-K85 HydrophobicContact CD1-CD 4.28Å; I79-K85 HydrophobicContact CG1-CD 4.2Å; I79-K85 HydrophobicContact CG1-CG 4.04Å; S83-K85 WeakPolarHBondContact O-CG 3.36Å; S83-K85 PolarHBondContact O-NZ 3.29Å
86	S	97.1	Very high	92.9	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.2	178.4	-167.1	0	0	0	0	112.2	F77 I78	F77-S86 WeakPolarHBondContact CA-O 3.36Å; I78-S86 PolarHBondContact N-O 2.91Å; I78-S86 PolarHBondContact O-N 2.91Å; I78-S86 VanDerWaalsContact O-N 3.1Å
87	W	96.7	Very high	91.1	Very high	120 Å²	120	53 Å²	53	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139	158.3	-67.6	95	0	0	0	109.5	K68 N70 C76 F77	K68-W87 HydrophobicContact CB-CH2 4.15Å; N70-W87 HydrophobicContact CB-CE3 4.28Å; N70-W87 HydrophobicContact CB-CH2 3.86Å; N70-W87 HydrophobicContact CB-CZ3 3.44Å; N70-W87 VanDerWaalsContact CB-CZ3 3.44Å; C76-W87 CarbonylContact O-C 3.29Å; C76-W87 WeakPolarHBondContact O-CA 3.42Å; F77-W87 HydrophobicContact CB-CD2 4.07Å; F77-W87 HydrophobicContact CB-CE3 3.96Å; F77-W87 HydrophobicContact CB-CH2 3.91Å; F77-W87 HydrophobicContact CB-CZ2 4.03Å; F77-W87 HydrophobicContact CB-CZ3 3.87Å; F77-W87 AromaticContact CD2-CD1 3.88Å; F77-W87 HydrophobicContact CD2-CD2 4.01Å; F77-W87 AromaticContact CD2-CE2 3.75Å; F77-W87 HydrophobicContact CD2-CG 4.1Å; F77-W87 HydrophobicContact CD2-CZ2 4.27Å; F77-W87 AromaticContact CD2-NE1 3.66Å; F77-W87 HydrophobicContact CG-CZ2 4.38Å
88	V	96.8	Very high	89.1	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.1	175.7	-175.1	0	0	0	0	108.3	A54 S75 C76 I78 F80 D92 I93	A54-V88 HydrophobicContact CB-CG1 4.18Å; A54-V88 HydrophobicContact CB-CG2 4.23Å; S75-V88 CarbonylContact C-O 3.22Å; S75-V88 WeakPolarHBondContact CA-O 3.48Å; S75-V88 WeakPolarHBondContact CB-O 3.27Å; C76-V88 PolarHBondContact N-O 3.14Å; C76-V88 PolarHBondContact O-N 2.67Å; I78-V88 HydrophobicContact CD1-CB 4.06Å; I78-V88 HydrophobicContact CD1-CG2 4.05Å; F80-V88 HydrophobicContact CZ-CG2 4.17Å; V88-D92 HydrophobicContact CG1-CB 3.75Å; V88-I93 HydrophobicContact CB-CD1 4.4Å; V88-I93 HydrophobicContact CB-CG1 4.22Å; V88-I93 HydrophobicContact CG1-CG1 3.85Å
89	L	95	Very high	86.9	Confident	48 Å²	48	58.8 Å²	58.8	25%	0.251	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.1	178.8	-65	172.9	0	0	0	111.2	K91 D92 Q201	L89-K91 HydrophobicContact CB-CG 4.14Å; L89-K91 PolarHBondContact O-N 2.96Å; L89-K91 VanDerWaalsContact O-N 3.13Å; L89-D92 WeakPolarHBondContact O-CA 3.41Å; L89-D92 WeakPolarHBondContact O-CB 3.33Å; L89-D92 PolarHBondContact O-N 3.46Å; L89-Q201 HydrophobicContact CD1-CB 4.03Å
90	W	93.6	Very high	84.8	Confident	39 Å²	39	59.8 Å²	59.8	15%	0.148	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-55.7	-32	179.4	-69.2	-13.7	0	0	0	113.8	C44 F46 I69 I71 Q74 C76 D92 I93	C44-W90 HydrophobicContact CB-CZ2 4.49Å; F46-W90 AromaticContact CD2-CD1 3.69Å; F46-W90 HydrophobicContact CD2-CD2 4.38Å; F46-W90 HydrophobicContact CD2-CG 4.09Å; F46-W90 AromaticContact CD2-NE1 3.76Å; F46-W90 HydrophobicContact CE2-CB 3.77Å; F46-W90 AromaticContact CE2-CD1 3.45Å; F46-W90 VanDerWaalsContact CE2-CD1 3.45Å; F46-W90 HydrophobicContact CE2-CD2 4.09Å; F46-W90 AromaticContact CE2-CG 3.51Å; F46-W90 HydrophobicContact CE2-CG 3.51Å; F46-W90 AromaticContact CE2-NE1 3.98Å; F46-W90 HydrophobicContact CZ-CB 4.32Å; F46-W90 HydrophobicContact CZ-CG 4.45Å; I69-W90 HydrophobicContact CG2-CZ2 4.23Å; I71-W90 HydrophobicContact CB-CH2 4.46Å; I71-W90 HydrophobicContact CG2-CH2 4.25Å; Q74-W90 VanDerWaalsContact C-CD1 3.49Å; Q74-W90 VanDerWaalsContact C-CG 3.46Å; Q74-W90 HydrophobicContact CB-CD2 3.85Å; Q74-W90 HydrophobicContact CB-CE3 3.62Å; Q74-W90 HydrophobicContact CB-CG 4.33Å; Q74-W90 HydrophobicContact CB-CZ3 4.07Å; Q74-W90 HydrophobicContact CG-CD2 4.48Å; Q74-W90 HydrophobicContact CG-CE3 3.81Å; Q74-W90 HydrophobicContact CG-CH2 4.43Å; Q74-W90 HydrophobicContact CG-CZ3 3.78Å; Q74-W90 PolarHBondContact O-N 3.26Å; C76-W90 PolarHBondContact SG-NE1 3.49Å; C76-W90 VanDerWaalsContact SG-NE1 3.4Å; W90-D92 PolarHBondContact O-N 3.08Å; W90-I93 PolarHBondContact O-N 3.03Å
91	K	90.8	Very high	82.8	Confident	88 Å²	88	63 Å²	63	38%	0.383	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-65.8	-12.6	175	74.4	175.4	-179.6	62.3	0	114.7	R55 L89 Q200 Q201 G207	R55-K91 PolarHBondContact NH1-O 3.23Å; R55-K91 VanDerWaalsContact NH1-O 3.14Å; L89-K91 HydrophobicContact CB-CG 4.14Å; L89-K91 PolarHBondContact O-N 2.96Å; L89-K91 VanDerWaalsContact O-N 3.13Å; K91-Q200 WeakPolarHBondContact CE-O 3.33Å; K91-Q201 WeakPolarHBondContact CE-O 3.42Å; K91-Q201 PolarHBondContact NZ-O 2.86Å; K91-G207 PolarHBondContact NZ-O 3.01Å
92	D	92.9	Very high	81.4	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.016	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-113.9	3.8	-176	-68.4	-59	0	0	0	112.6	A54 R55 V88 L89 W90 G208 P209	A54-D92 CarbonylContact C-O 3.6Å; A54-D92 WeakPolarHBondContact CA-O 3.41Å; R55-D92 HydrophobicContact CB-CB 4.07Å; R55-D92 IonicContact CZ-OD1 2.69Å; R55-D92 PolarHBondContact N-O 2.84Å; R55-D92 IonicContact NH1-OD1 3.58Å; R55-D92 PolarHBondContact NH1-OD1 2.8Å; V88-D92 HydrophobicContact CG1-CB 3.75Å; L89-D92 WeakPolarHBondContact O-CA 3.41Å; L89-D92 WeakPolarHBondContact O-CB 3.33Å; L89-D92 PolarHBondContact O-N 3.46Å; W90-D92 PolarHBondContact O-N 3.08Å; D92-G208 WeakPolarHBondContact OD1-CA 3.13Å; D92-P209 VanDerWaalsContact CG-CD 3.49Å; D92-P209 VanDerWaalsContact OD1-CD 3.24Å; D92-P209 WeakPolarHBondContact OD1-CD 3.39Å
93	I	91.8	Very high	80.7	Confident	16 Å²	16	62 Å²	62	8%	0.082	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127	176.8	-57.3	170.7	0	0	0	109.1	F46 V52 C76 I78 V88 W90	F46-I93 HydrophobicContact CD1-CG2 4.01Å; F46-I93 HydrophobicContact CE1-CB 3.83Å; F46-I93 HydrophobicContact CE1-CG2 3.45Å; F46-I93 VanDerWaalsContact CE1-CG2 3.45Å; F46-I93 HydrophobicContact CZ-CB 3.96Å; F46-I93 HydrophobicContact CZ-CG2 4.12Å; V52-I93 HydrophobicContact CB-CG2 3.67Å; V52-I93 HydrophobicContact CG1-CG2 3.84Å; V52-I93 HydrophobicContact CG2-CG2 3.75Å; C76-I93 HydrophobicContact CB-CD1 3.6Å; I78-I93 HydrophobicContact CD1-CD1 3.94Å; I78-I93 HydrophobicContact CD1-CG1 3.98Å; V88-I93 HydrophobicContact CB-CD1 4.4Å; V88-I93 HydrophobicContact CB-CG1 4.22Å; V88-I93 HydrophobicContact CG1-CG1 3.85Å; W90-I93 PolarHBondContact O-N 3.03Å
94	Q	84.8	Confident	80.4	Confident	26 Å²	26	60.3 Å²	60.3	12%	0.121	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.8	171.6	171.4	178.2	2.9	0	0	109.7	V52 L53 F61	V52-Q94 WeakPolarHBondContact CA-O 3.42Å; V52-Q94 WeakPolarHBondContact CB-O 3.44Å; L53-Q94 HydrophobicContact CB-CB 4.12Å; L53-Q94 PolarHBondContact N-O 3.31Å; L53-Q94 WeakPolarHBondContact O-CB 3.44Å; L53-Q94 PolarHBondContact O-N 2.86Å; F61-Q94 HydrophobicContact CE1-CB 4.18Å
95	T	81.9	Confident	80.2	Confident	35 Å²	35	58 Å²	58	22%	0.215	35%	0.345	C	S	.	.			trans	-73.1	162.7	166.2	55.9	0	0	0	0	111.1	F46 V52	F46-T95 HydrophobicContact CD1-CG2 3.93Å; F46-T95 HydrophobicContact CE1-CG2 3.86Å; V52-T95 HydrophobicContact CG1-CG2 4.46Å
96	G	67.4	Low	79.8	Confident	35 Å²	35	54.7 Å²	54.7	36%	0.361	34%	0.335	S	S	.	.			trans	-58.3	172.1	160.5	0	0	0	0	0	112.1	T98	G96-T98 PolarHBondContact O-N 2.79Å
97	A	58.5	Low	79.4	Confident	46 Å²	46	57.8 Å²	57.8	38%	0.38	35%	0.348	S	S	.	.			trans	-73.9	108.6	166.4	0	0	0	0	0	107.8	G99 Q127 Q544	A97-G99 PolarHBondContact O-N 2.83Å; A97-Q127 HydrophobicContact CB-CG 4.5Å; A97-Q544 PolarHBondContact O-NE2 3.21Å; A97-Q544 PolarHBondContact O-OE1 3.04Å
98	T	54.8	Low	79.1	Confident	107 Å²	107	54 Å²	54	66%	0.656	34%	0.34	S	S	*	.			trans	-52.9	135.7	178.9	-46.4	0	0	0	0	110.4	G96 S100	G96-T98 PolarHBondContact O-N 2.79Å; T98-S100 PolarHBondContact O-N 2.8Å
99	G	50.9	Low	78.7	Confident	62 Å²	62	59.3 Å²	59.3	64%	0.639	36%	0.364	S	S	*	.			trans	-69.6	5.7	-177.5	0	0	0	0	0	115.6	A97 G101	A97-G99 PolarHBondContact O-N 2.83Å; G99-G101 PolarHBondContact O-N 2.88Å
100	S	52.5	Low	78.4	Confident	64 Å²	64	61.9 Å²	61.9	45%	0.448	38%	0.375	S	S	.	.			trans	-57.6	117.5	171.4	48.2	0	0	0	0	109.9	T98 E102	T98-S100 PolarHBondContact O-N 2.8Å; S100-E102 PolarHBondContact O-N 3.12Å
101	G	55.8	Low	78.3	Confident	88 Å²	88	65.7 Å²	65.7	91%	0.907	39%	0.394	S	S	*	.			trans	-68	-1.7	-177.6	0	0	0	0	0	115.5	G99	G99-G101 PolarHBondContact O-N 2.88Å
102	E	66.6	Low	78.3	Confident	130 Å²	130	65.8 Å²	65.8	61%	0.607	39%	0.393	S	S	*	.	S	Bend	trans	-79.9	119.6	177.6	-67.3	164.5	169	0	0	110.3	S100 V104	S100-E102 PolarHBondContact O-N 3.12Å; E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 HydrophobicContact CB-CG1 4.47Å; E102-V104 PolarHBondContact O-N 2.83Å
103	M	79.2	Confident	78.3	Confident	108 Å²	108	68.7 Å²	68.7	53%	0.532	41%	0.413	S	S	.	.			trans	-81.3	79.5	-179.8	-168.1	179.5	-67.2	0	0	110.3	M119 I121	M103-M119 HydrophobicContact CB-CE 4.31Å; M103-M119 HydrophobicContact CG-CE 3.73Å; M103-M119 HydrophobicContact CG-SD 4.03Å; M103-M119 WeakPolarHBondContact O-CE 3.43Å; M103-M119 HydrophobicContact SD-CE 3.96Å; M103-I121 HydrophobicContact CE-CD1 3.63Å; M103-I121 HydrophobicContact SD-CD1 3.61Å; M103-I121 HydrophobicContact SD-CG1 4.1Å
104	V	89.6	Confident	78.2	Confident	43 Å²	43	74.9 Å²	74.9	26%	0.261	44%	0.442	S	S	.	.			trans	-92	149.7	177	-68.1	0	0	0	0	112.6	E102 T106 E111	E102-V104 VanDerWaalsContact C-N 3.33Å; E102-V104 HydrophobicContact CB-CG1 4.47Å; E102-V104 PolarHBondContact O-N 2.83Å; V104-T106 PolarHBondContact O-N 2.83Å; V104-E111 HydrophobicContact CG1-CG 3.72Å
105	C	91.1	Very high	78.5	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-66.5	128.1	165.7	175.4	0	0	0	0	110.8	I107 C108 Q109 E110 G128 H130	C105-I107 PolarHBondContact O-N 3.35Å; C105-I107 PolarHBondContact SG-N 2.79Å; C105-C108 VanDerWaalsContact CB-SG 3.58Å; C105-Q109 VanDerWaalsContact O-CA 3.22Å; C105-Q109 WeakPolarHBondContact O-CA 3.18Å; C105-Q109 PolarHBondContact O-N 2.81Å; C105-E110 PolarHBondContact N-O 2.84Å; C105-G128 WeakPolarHBondContact CA-O 3.41Å; C105-H130 WeakPolarHBondContact CB-CE1 3.21Å; C105-H130 WeakPolarHBondContact CB-ND1 3.18Å; C105-H130 PolarHBondContact SG-ND1 2.93Å
106	T	87.8	Confident	78.9	Confident	49 Å²	49	81 Å²	81	30%	0.301	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.1	-176.8	-61.9	0	0	0	0	114	V104 Q127 G128	V104-T106 PolarHBondContact O-N 2.83Å; T106-Q127 WeakPolarHBondContact OG1-CB 3.26Å; T106-G128 PolarHBondContact N-O 3.13Å; T106-G128 PolarHBondContact OG1-O 2.87Å
107	I	88.3	Confident	80.1	Confident	97 Å²	97	80.5 Å²	80.5	50%	0.497	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-61.5	-175.7	-54.4	-59	0	0	0	112.1	C105 Y129 C133	C105-I107 PolarHBondContact O-N 3.35Å; C105-I107 PolarHBondContact SG-N 2.79Å; I107-Y129 HydrophobicContact CD1-CD1 4.35Å; I107-Y129 HydrophobicContact CD1-CE1 4.2Å; I107-Y129 HydrophobicContact CG1-CD1 3.97Å; I107-Y129 HydrophobicContact CG1-CE1 4.31Å; I107-C133 HydrophobicContact CB-CB 3.96Å; I107-C133 HydrophobicContact CG1-CB 4.21Å; I107-C133 HydrophobicContact CG2-CB 4.14Å
108	C	90.6	Very high	81.8	Confident	41 Å²	41	81.7 Å²	81.7	28%	0.277	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-21.6	-179.7	55.6	0	0	0	0	113.7	C105 E110 H130	C105-C108 VanDerWaalsContact CB-SG 3.58Å; C108-E110 HydrophobicContact CB-CG 4.29Å; C108-H130 PolarHBondContact SG-CE1 2.81Å; C108-H130 PolarHBondContact SG-ND1 3.43Å; C108-H130 VanDerWaalsContact SG-ND1 3.36Å
109	Q	88.1	Confident	83.7	Confident	121 Å²	121	78.1 Å²	78.1	57%	0.565	45%	0.454	S	S	*	.			trans	66.3	37.4	-172.8	-46.7	-170.2	-116.9	0	0	113.6	C105	C105-Q109 VanDerWaalsContact O-CA 3.22Å; C105-Q109 WeakPolarHBondContact O-CA 3.18Å; C105-Q109 PolarHBondContact O-N 2.81Å
110	E	89.8	Confident	85.7	Confident	101 Å²	101	76 Å²	76	47%	0.472	43%	0.428	S	S	.	.			trans	-120.4	154	177.7	-60.2	174.7	-131.6	0	0	110.9	C105 C108 Y112	C105-E110 PolarHBondContact N-O 2.84Å; C108-E110 HydrophobicContact CB-CG 4.29Å; E110-Y112 HydrophobicContact CB-CD1 3.82Å; E110-Y112 HydrophobicContact CB-CE1 3.87Å; E110-Y112 WeakPolarHBondContact OE2-CE1 3.36Å
111	E	91.2	Very high	87.6	Confident	119 Å²	119	76.6 Å²	76.6	56%	0.556	43%	0.426	S	S	*	.			trans	-101.8	-10	-170.1	-63	179.3	173.1	0	0	114.9	V104	V104-E111 HydrophobicContact CG1-CG 3.72Å
112	Y	91.3	Very high	89.4	Confident	90 Å²	90	72.5 Å²	72.5	35%	0.353	38%	0.383	S	S	.	.			trans	-58.3	147.7	-176.3	69.5	-99.6	0	0	0	111.1	E110 N117 H130	E110-Y112 HydrophobicContact CB-CD1 3.82Å; E110-Y112 HydrophobicContact CB-CE1 3.87Å; E110-Y112 WeakPolarHBondContact OE2-CE1 3.36Å; Y112-N117 PolarHBondContact OH-ND2 3.11Å; Y112-H130 AromaticContact CD2-CD2 3.98Å; Y112-H130 AromaticContact CD2-NE2 3.53Å; Y112-H130 AromaticContact CE1-CE1 3.68Å; Y112-H130 AromaticContact CE1-NE2 3.93Å; Y112-H130 AromaticContact CE2-CD2 3.51Å; Y112-H130 AromaticContact CE2-CE1 3.79Å; Y112-H130 AromaticContact CE2-NE2 3.33Å; Y112-H130 VanDerWaalsContact CE2-NE2 3.33Å; Y112-H130 WeakPolarHBondContact CE2-NE2 3.11Å; Y112-H130 AromaticContact CG-NE2 3.9Å; Y112-H130 AromaticContact CZ-CD2 3.94Å; Y112-H130 AromaticContact CZ-CE1 3.49Å; Y112-H130 VanDerWaalsContact CZ-CE1 3.49Å; Y112-H130 AromaticContact CZ-ND1 3.87Å; Y112-H130 AromaticContact CZ-NE2 3.55Å; Y112-H130 PolarHBondContact O-CD2 3.27Å; Y112-H130 PolarHBondContact O-NE2 3.24Å
113	S	91.7	Very high	90.6	Very high	64 Å²	64	70 Å²	70	45%	0.448	37%	0.374	S	S	.	.			trans	-154.1	100.4	173.7	-177.6	0	0	0	0	109.7	M119	S113-M119 PolarHBondContact OG-N 3.36Å
114	E	91.5	Very high	91	Very high	147 Å²	147	68.4 Å²	68.4	69%	0.687	36%	0.364	S	S	*	.			trans	-140.9	146	-179.7	59.2	180	-174.6	0	0	110.6	N117 E118	E114-N117 CarbonylContact O-C 3.53Å; E114-N117 WeakPolarHBondContact O-CA 3.31Å; E114-N117 PolarHBondContact O-N 3.12Å; E114-E118 PolarHBondContact O-N 3.26Å
115	A	89	Confident	90.8	Very high	74 Å²	74	67.7 Å²	67.7	61%	0.612	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	136.9	178.9	0	0	0	0	0	110.8	E118	A115-E118 HydrophobicContact CB-CG 4.33Å
116	P	90.5	Very high	90.6	Very high	115 Å²	115	70.3 Å²	70.3	75%	0.747	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	cis	-102.9	37	10.7	41.2	-36.3	0	0	0	113.8	Q131	P116-Q131 VanDerWaalsContact C-OE1 3.26Å; P116-Q131 PolarHBondContact O-OE1 3.13Å
117	N	94.2	Very high	90.6	Very high	24 Å²	24	69 Å²	69	13%	0.128	38%	0.378	C	S	.	.	S	Bend	trans	-135.1	51	179.3	-172.4	37	0	0	0	111.5	Y112 E114 H130 Q131 L132	Y112-N117 PolarHBondContact OH-ND2 3.11Å; E114-N117 CarbonylContact O-C 3.53Å; E114-N117 WeakPolarHBondContact O-CA 3.31Å; E114-N117 PolarHBondContact O-N 3.12Å; N117-H130 WeakPolarHBondContact OD1-CB 3.33Å; N117-Q131 PolarHBondContact OD1-N 2.92Å; N117-L132 HydrophobicContact CB-CD1 4.15Å; N117-L132 HydrophobicContact CB-CG 4.34Å; N117-L132 VanDerWaalsContact OD1-CB 3.3Å; N117-L132 WeakPolarHBondContact OD1-CB 3.5Å; N117-L132 VanDerWaalsContact OD1-CG 3.32Å; N117-L132 WeakPolarHBondContact OD1-CG 3.1Å; N117-L132 PolarHBondContact OD1-N 2.84Å
118	E	94.3	Very high	90.8	Very high	72 Å²	72	64.5 Å²	64.5	34%	0.336	36%	0.356	S	S	.	.			trans	-70.1	158.8	-175.9	-64.9	177.4	-115	0	0	112.3	E114 A115 H130 Q131 I143	E114-E118 PolarHBondContact O-N 3.26Å; A115-E118 HydrophobicContact CB-CG 4.33Å; E118-H130 WeakPolarHBondContact O-CA 3.46Å; E118-Q131 WeakPolarHBondContact O-CG 3.3Å; E118-Q131 PolarHBondContact O-N 3.2Å; E118-I143 HydrophobicContact CB-CD1 4.01Å
119	M	94	Very high	91	Very high	31 Å²	31	63 Å²	63	15%	0.153	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.3	177.4	179	168.4	46.4	0	0	111.3	M103 S113	M103-M119 HydrophobicContact CB-CE 4.31Å; M103-M119 HydrophobicContact CG-CE 3.73Å; M103-M119 HydrophobicContact CG-SD 4.03Å; M103-M119 WeakPolarHBondContact O-CE 3.43Å; M103-M119 HydrophobicContact SD-CE 3.96Å; S113-M119 PolarHBondContact OG-N 3.36Å
120	V	93.8	Very high	91.3	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.6	-179.6	-171.3	0	0	0	0	110.3	Y129 Q131 I138 I143 W149	V120-Y129 PolarHBondContact N-O 2.97Å; V120-Y129 PolarHBondContact O-N 3.4Å; V120-Q131 HydrophobicContact CG2-CG 4.2Å; V120-I138 HydrophobicContact CB-CD1 3.7Å; V120-I138 HydrophobicContact CG1-CD1 4.32Å; V120-I138 HydrophobicContact CG2-CD1 3.88Å; V120-I138 HydrophobicContact CG2-CG2 4.2Å; V120-I143 HydrophobicContact CG2-CD1 4.03Å; V120-I143 HydrophobicContact CG2-CG1 3.97Å; V120-W149 HydrophobicContact CB-CE3 4.45Å; V120-W149 HydrophobicContact CB-CZ3 4.47Å; V120-W149 HydrophobicContact CG1-CD2 3.9Å; V120-W149 HydrophobicContact CG1-CE3 3.66Å; V120-W149 HydrophobicContact CG1-CG 4.26Å; V120-W149 HydrophobicContact CG1-CZ3 4.15Å
121	I	92.4	Very high	91.5	Very high	78 Å²	78	53 Å²	53	40%	0.4	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134	-177.1	-51.1	172.8	0	0	0	110.2	M103 D123	M103-I121 HydrophobicContact CE-CD1 3.63Å; M103-I121 HydrophobicContact SD-CD1 3.61Å; M103-I121 HydrophobicContact SD-CG1 4.1Å; I121-D123 PolarHBondContact O-N 3.39Å
122	C	92.8	Very high	91.7	Very high	1 Å²	1	52 Å²	52	1%	0.007	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-78.1	119.1	176.5	176.9	0	0	0	0	113	K124 C125 G126 Q127 Y129 W149 C151	C122-K124 PolarHBondContact O-N 2.65Å; C122-C125 VanDerWaalsContact CB-SG 3.55Å; C122-C125 PolarHBondContact O-N 2.68Å; C122-C125 PolarHBondContact SG-SG 3.38Å; C122-G126 PolarHBondContact O-N 3.09Å; C122-Q127 PolarHBondContact N-O 3.26Å; C122-Y129 HydrophobicContact CB-CE2 4.35Å; C122-W149 HydrophobicContact CB-CE3 4.21Å; C122-W149 HydrophobicContact CB-CZ3 3.89Å; C122-C151 HydrophobicContact CB-CB 4.01Å; C122-C151 PolarHBondContact SG-N 2.92Å; C122-C151 VanDerWaalsContact SG-SG 3.63Å
123	D	91.3	Very high	91.9	Very high	79 Å²	79	49.4 Å²	49.4	42%	0.422	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-13.2	178.9	-92.8	-81.7	0	0	0	115.9	I121 K148 W149 L150	I121-D123 PolarHBondContact O-N 3.39Å; D123-K148 HydrophobicContact CB-CB 4.22Å; D123-K148 HydrophobicContact CB-CD 4.47Å; D123-K148 HydrophobicContact CB-CG 4.43Å; D123-K148 IonicContact OD1-NZ 2.8Å; D123-K148 PolarHBondContact OD1-NZ 2.89Å; D123-K148 WeakPolarHBondContact OD2-CA 3.29Å; D123-K148 WeakPolarHBondContact OD2-CB 3.49Å; D123-W149 WeakPolarHBondContact CB-O 3.4Å; D123-W149 PolarHBondContact N-O 3.21Å; D123-W149 PolarHBondContact OD2-N 3.05Å; D123-L150 HydrophobicContact CB-CD2 4.03Å
124	K	87.4	Confident	92.1	Very high	74 Å²	74	46.8 Å²	46.8	32%	0.322	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-33.7	179.8	-179.5	177.9	-171.7	-47.3	0	114.5	C122 L150 C154 T158 S551	C122-K124 PolarHBondContact O-N 2.65Å; K124-L150 HydrophobicContact CB-CD2 3.52Å; K124-C154 HydrophobicContact CB-CB 4.08Å; K124-C154 HydrophobicContact CD-CB 4.08Å; K124-C154 HydrophobicContact CG-CB 4.42Å; K124-T158 HydrophobicContact CD-CG2 3.86Å; K124-S551 PolarHBondContact NZ-OG 3.13Å
125	C	86.5	Confident	92.2	Very high	27 Å²	27	42.2 Å²	42.2	18%	0.182	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-4.3	-175.5	62.8	0	0	0	0	114.8	C122 Q127 C154	C122-C125 VanDerWaalsContact CB-SG 3.55Å; C122-C125 PolarHBondContact O-N 2.68Å; C122-C125 PolarHBondContact SG-SG 3.38Å; C125-Q127 PolarHBondContact O-N 2.95Å; C125-Q127 VanDerWaalsContact O-N 3.09Å; C125-Q127 PolarHBondContact SG-OE1 3.38Å; C125-C154 VanDerWaalsContact SG-SG 3.64Å
126	G	86.7	Confident	92.4	Very high	55 Å²	55	40.1 Å²	40.1	57%	0.567	23%	0.233	S	C	*	.			trans	70	-1.5	179.6	0	0	0	0	0	115.1	C122	C122-G126 PolarHBondContact O-N 3.09Å
127	Q	88	Confident	92.7	Very high	21 Å²	21	40.6 Å²	40.6	10%	0.098	23%	0.225	C	C	.	.			trans	-75.1	134.8	179.9	-72.4	171.5	-21.7	0	0	111.6	A97 T106 C122 C125 Y129	A97-Q127 HydrophobicContact CB-CG 4.5Å; T106-Q127 WeakPolarHBondContact OG1-CB 3.26Å; C122-Q127 PolarHBondContact N-O 3.26Å; C125-Q127 PolarHBondContact O-N 2.95Å; C125-Q127 VanDerWaalsContact O-N 3.09Å; C125-Q127 PolarHBondContact SG-OE1 3.38Å; Q127-Y129 HydrophobicContact CB-CE2 3.79Å; Q127-Y129 WeakPolarHBondContact O-CD2 3.19Å; Q127-Y129 WeakPolarHBondContact O-CE2 3.29Å; Q127-Y129 PolarHBondContact OE1-OH 2.82Å; Q127-Y129 VanDerWaalsContact OE1-OH 3.13Å
128	G	91.6	Very high	92.7	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143	174.2	0	0	0	0	0	113.3	C105 T106	C105-G128 WeakPolarHBondContact CA-O 3.41Å; T106-G128 PolarHBondContact N-O 3.13Å; T106-G128 PolarHBondContact OG1-O 2.87Å
129	Y	94.4	Very high	92.6	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.5	176.4	-59.7	-94.8	0	0	0	110.3	I107 V120 C122 Q127 H134 W149 C151	I107-Y129 HydrophobicContact CD1-CD1 4.35Å; I107-Y129 HydrophobicContact CD1-CE1 4.2Å; I107-Y129 HydrophobicContact CG1-CD1 3.97Å; I107-Y129 HydrophobicContact CG1-CE1 4.31Å; V120-Y129 PolarHBondContact N-O 2.97Å; V120-Y129 PolarHBondContact O-N 3.4Å; C122-Y129 HydrophobicContact CB-CE2 4.35Å; Q127-Y129 HydrophobicContact CB-CE2 3.79Å; Q127-Y129 WeakPolarHBondContact O-CD2 3.19Å; Q127-Y129 WeakPolarHBondContact O-CE2 3.29Å; Q127-Y129 PolarHBondContact OE1-OH 2.82Å; Q127-Y129 VanDerWaalsContact OE1-OH 3.13Å; Y129-H134 AromaticContact CD1-CD2 3.99Å; Y129-W149 AromaticContact CD2-CH2 3.72Å; Y129-W149 HydrophobicContact CD2-CH2 3.72Å; Y129-W149 AromaticContact CD2-CZ3 3.86Å; Y129-W149 HydrophobicContact CD2-CZ3 3.86Å; Y129-W149 HydrophobicContact CE2-CH2 4.37Å; Y129-W149 HydrophobicContact CE2-CZ3 4.46Å; Y129-W149 HydrophobicContact CG-CH2 4.15Å; Y129-C151 HydrophobicContact CD2-CB 3.96Å; Y129-C151 HydrophobicContact CE2-CB 3.35Å; Y129-C151 PolarHBondContact OH-SG 3.33Å; Y129-C151 VanDerWaalsContact OH-SG 3.36Å
130	H	95.2	Very high	92.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.3	165.2	-60.4	112.2	0	0	0	110.8	C105 C108 Y112 N117 E118 L132 C133 H134	C105-H130 WeakPolarHBondContact CB-CE1 3.21Å; C105-H130 WeakPolarHBondContact CB-ND1 3.18Å; C105-H130 PolarHBondContact SG-ND1 2.93Å; C108-H130 PolarHBondContact SG-CE1 2.81Å; C108-H130 PolarHBondContact SG-ND1 3.43Å; C108-H130 VanDerWaalsContact SG-ND1 3.36Å; Y112-H130 AromaticContact CD2-CD2 3.98Å; Y112-H130 AromaticContact CD2-NE2 3.53Å; Y112-H130 AromaticContact CE1-CE1 3.68Å; Y112-H130 AromaticContact CE1-NE2 3.93Å; Y112-H130 AromaticContact CE2-CD2 3.51Å; Y112-H130 AromaticContact CE2-CE1 3.79Å; Y112-H130 AromaticContact CE2-NE2 3.33Å; Y112-H130 VanDerWaalsContact CE2-NE2 3.33Å; Y112-H130 WeakPolarHBondContact CE2-NE2 3.11Å; Y112-H130 AromaticContact CG-NE2 3.9Å; Y112-H130 AromaticContact CZ-CD2 3.94Å; Y112-H130 AromaticContact CZ-CE1 3.49Å; Y112-H130 VanDerWaalsContact CZ-CE1 3.49Å; Y112-H130 AromaticContact CZ-ND1 3.87Å; Y112-H130 AromaticContact CZ-NE2 3.55Å; Y112-H130 PolarHBondContact O-CD2 3.27Å; Y112-H130 PolarHBondContact O-NE2 3.24Å; N117-H130 WeakPolarHBondContact OD1-CB 3.33Å; E118-H130 WeakPolarHBondContact O-CA 3.46Å; H130-L132 PolarHBondContact O-N 2.96Å; H130-C133 HydrophobicContact CB-CB 3.94Å; H130-C133 PolarHBondContact O-N 3Å; H130-H134 PolarHBondContact O-N 2.82Å
131	Q	94.8	Very high	92.3	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.051	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-44.3	178.3	-65.9	178.6	-100.6	0	0	112.5	P116 N117 E118 V120 H137 I138 I143	P116-Q131 VanDerWaalsContact C-OE1 3.26Å; P116-Q131 PolarHBondContact O-OE1 3.13Å; N117-Q131 PolarHBondContact OD1-N 2.92Å; E118-Q131 WeakPolarHBondContact O-CG 3.3Å; E118-Q131 PolarHBondContact O-N 3.2Å; V120-Q131 HydrophobicContact CG2-CG 4.2Å; Q131-H137 CarbonylContact O-C 3.59Å; Q131-H137 WeakPolarHBondContact O-CA 3.32Å; Q131-H137 WeakPolarHBondContact O-CB 3.46Å; Q131-I138 HydrophobicContact CB-CB 4.25Å; Q131-I138 WeakPolarHBondContact CB-O 3.13Å; Q131-I138 HydrophobicContact CG-CB 4.16Å; Q131-I138 PolarHBondContact NE2-O 3.26Å; Q131-I138 PolarHBondContact O-N 3.44Å; Q131-I143 HydrophobicContact CG-CD1 4.19Å
132	L	95.1	Very high	92.2	Very high	99 Å²	99	43.2 Å²	43.2	52%	0.518	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-21.2	-179.6	-61.1	177.9	0	0	0	113.9	N117 H130 H137	N117-L132 HydrophobicContact CB-CD1 4.15Å; N117-L132 HydrophobicContact CB-CG 4.34Å; N117-L132 VanDerWaalsContact OD1-CB 3.3Å; N117-L132 WeakPolarHBondContact OD1-CB 3.5Å; N117-L132 VanDerWaalsContact OD1-CG 3.32Å; N117-L132 WeakPolarHBondContact OD1-CG 3.1Å; N117-L132 PolarHBondContact OD1-N 2.84Å; H130-L132 PolarHBondContact O-N 2.96Å; L132-H137 PolarHBondContact O-CE1 2.98Å; L132-H137 PolarHBondContact O-ND1 3.32Å
133	C	94.8	Very high	92	Very high	34 Å²	34	46.3 Å²	46.3	23%	0.23	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.6	177.4	-69.5	0	0	0	0	113.7	I107 H130	I107-C133 HydrophobicContact CB-CB 3.96Å; I107-C133 HydrophobicContact CG1-CB 4.21Å; I107-C133 HydrophobicContact CG2-CB 4.14Å; H130-C133 HydrophobicContact CB-CB 3.94Å; H130-C133 PolarHBondContact O-N 3Å
134	H	95.1	Very high	91.9	Very high	10 Å²	10	49 Å²	49	5%	0.046	28%	0.284	C	S	.	.	S	Bend	trans	-82.3	156.4	176.1	-169.6	-93.5	0	0	0	112.3	Y129 H130 P136 H137 I138 W149 R152	Y129-H134 AromaticContact CD1-CD2 3.99Å; H130-H134 PolarHBondContact O-N 2.82Å; H134-P136 CarbonylContact C-O 3.2Å; H134-P136 VanDerWaalsContact C-O 3.29Å; H134-P136 PolarHBondContact ND1-O 3.43Å; H134-P136 CarbonylContact O-C 3.5Å; H134-P136 VanDerWaalsContact O-C 3.22Å; H134-H137 PolarHBondContact O-N 3.45Å; H134-H137 PolarHBondContact O-ND1 3.01Å; H134-I138 HydrophobicContact CB-CD1 3.91Å; H134-I138 HydrophobicContact CB-CG1 3.69Å; H134-W149 AromaticContact CD2-CH2 3.84Å; H134-W149 AromaticContact CD2-CZ2 3.83Å; H134-W149 AromaticContact CE1-CZ2 3.9Å; H134-W149 AromaticContact NE2-CZ2 3.76Å; H134-R152 PolarHBondContact NE2-N 3.39Å
135	T	93.8	Very high	92	Very high	51 Å²	51	47.7 Å²	47.7	31%	0.313	28%	0.284	S	S	.	.	S	Bend	trans	-126.4	113.7	-179.2	-47.4	0	0	0	0	112.2	R152 T181	T135-R152 WeakPolarHBondContact O-CD 3.41Å; T135-R152 PolarHBondContact O-NH1 3.07Å; T135-T181 HydrophobicContact CG2-CG2 3.61Å
136	P	94.6	Very high	91.9	Very high	30 Å²	30	55.3 Å²	55.3	20%	0.195	32%	0.323	C	S	.	.	S	Bend	cis	-61.9	166	-10.5	29.4	-36.9	0	0	0	112.1	H134 M178	H134-P136 CarbonylContact C-O 3.2Å; H134-P136 VanDerWaalsContact C-O 3.29Å; H134-P136 PolarHBondContact ND1-O 3.43Å; H134-P136 CarbonylContact O-C 3.5Å; H134-P136 VanDerWaalsContact O-C 3.22Å; P136-M178 HydrophobicContact CG-CG 4.39Å
137	H	95.1	Very high	92	Very high	124 Å²	124	60.1 Å²	60.1	57%	0.574	33%	0.331	S	S	*	.			trans	-56.3	151	174.9	-55.9	-37.1	0	0	0	111.9	Q131 L132 H134	Q131-H137 CarbonylContact O-C 3.59Å; Q131-H137 WeakPolarHBondContact O-CA 3.32Å; Q131-H137 WeakPolarHBondContact O-CB 3.46Å; L132-H137 PolarHBondContact O-CE1 2.98Å; L132-H137 PolarHBondContact O-ND1 3.32Å; H134-H137 PolarHBondContact O-N 3.45Å; H134-H137 PolarHBondContact O-ND1 3.01Å
138	I	95.1	Very high	92.2	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.041	36%	0.359	C	S	.	.			trans	-88.2	115.3	-178.6	-43.3	174.2	0	0	0	109.1	V120 Q131 H134 V142 W149	V120-I138 HydrophobicContact CB-CD1 3.7Å; V120-I138 HydrophobicContact CG1-CD1 4.32Å; V120-I138 HydrophobicContact CG2-CD1 3.88Å; V120-I138 HydrophobicContact CG2-CG2 4.2Å; Q131-I138 HydrophobicContact CB-CB 4.25Å; Q131-I138 WeakPolarHBondContact CB-O 3.13Å; Q131-I138 HydrophobicContact CG-CB 4.16Å; Q131-I138 PolarHBondContact NE2-O 3.26Å; Q131-I138 PolarHBondContact O-N 3.44Å; H134-I138 HydrophobicContact CB-CD1 3.91Å; H134-I138 HydrophobicContact CB-CG1 3.69Å; I138-V142 HydrophobicContact CG2-CB 3.9Å; I138-V142 HydrophobicContact CG2-CG1 4.05Å; I138-V142 HydrophobicContact CG2-CG2 3.86Å; I138-W149 HydrophobicContact CD1-CH2 3.55Å; I138-W149 HydrophobicContact CD1-CZ2 3.34Å; I138-W149 HydrophobicContact CD1-CZ3 4.29Å; I138-W149 HydrophobicContact CG1-CH2 4.45Å; I138-W149 HydrophobicContact CG1-CZ2 3.79Å
139	D	92.8	Very high	92.3	Very high	99 Å²	99	68 Å²	68	53%	0.529	36%	0.363	S	S	.	.			trans	-64.5	143.2	176.6	-167.6	-78	0	0	0	111.2	S141 V142	D139-S141 PolarHBondContact O-N 3.49Å; D139-S141 VanDerWaalsContact OD1-CB 3.24Å; D139-S141 WeakPolarHBondContact OD1-CB 3.44Å; D139-S141 PolarHBondContact OD1-N 3.07Å; D139-S141 PolarHBondContact OD1-OG 2.76Å; D139-V142 VanDerWaalsContact O-CB 3.31Å; D139-V142 WeakPolarHBondContact O-CB 3.22Å; D139-V142 WeakPolarHBondContact O-CG2 3.36Å; D139-V142 PolarHBondContact O-N 2.92Å; D139-V142 VanDerWaalsContact O-N 3.08Å
140	S	91.3	Very high	92.4	Very high	66 Å²	66	68.8 Å²	68.8	46%	0.462	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-27.1	-178.5	63	0	0	0	0	112.6	V142 I143 D144	S140-V142 PolarHBondContact O-N 2.86Å; S140-I143 WeakPolarHBondContact O-CA 3.48Å; S140-I143 WeakPolarHBondContact O-CB 3.43Å; S140-I143 PolarHBondContact O-N 3.22Å; S140-D144 PolarHBondContact O-N 2.99Å
141	S	90.6	Very high	92.3	Very high	69 Å²	69	68.8 Å²	68.8	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-13.5	175.2	62.2	0	0	0	0	114.3	D139 S145	D139-S141 PolarHBondContact O-N 3.49Å; D139-S141 VanDerWaalsContact OD1-CB 3.24Å; D139-S141 WeakPolarHBondContact OD1-CB 3.44Å; D139-S141 PolarHBondContact OD1-N 3.07Å; D139-S141 PolarHBondContact OD1-OG 2.76Å; S141-S145 WeakPolarHBondContact O-CB 3.14Å
142	V	89.8	Confident	92.3	Very high	36 Å²	36	69.5 Å²	69.5	22%	0.218	37%	0.37	C	S	.	.	H	α-helix	trans	-71.1	-45.1	167.7	177.7	0	0	0	0	110.9	I138 D139 S140 S145 W149	I138-V142 HydrophobicContact CG2-CB 3.9Å; I138-V142 HydrophobicContact CG2-CG1 4.05Å; I138-V142 HydrophobicContact CG2-CG2 3.86Å; D139-V142 VanDerWaalsContact O-CB 3.31Å; D139-V142 WeakPolarHBondContact O-CB 3.22Å; D139-V142 WeakPolarHBondContact O-CG2 3.36Å; D139-V142 PolarHBondContact O-N 2.92Å; D139-V142 VanDerWaalsContact O-N 3.08Å; S140-V142 PolarHBondContact O-N 2.86Å; V142-S145 PolarHBondContact O-N 2.98Å; V142-S145 PolarHBondContact O-OG 3.4Å; V142-W149 HydrophobicContact CG1-CB 3.68Å; V142-W149 VanDerWaalsContact CG1-CD1 3.46Å; V142-W149 HydrophobicContact CG1-CG 3.67Å
143	I	88.9	Confident	92.1	Very high	65 Å²	65	67.1 Å²	67.1	33%	0.333	36%	0.357	S	S	.	.	H	α-helix	trans	-69.7	-36.9	-179.8	-54.1	172.2	0	0	0	110.1	E118 V120 Q131 S140 S145	E118-I143 HydrophobicContact CB-CD1 4.01Å; V120-I143 HydrophobicContact CG2-CD1 4.03Å; V120-I143 HydrophobicContact CG2-CG1 3.97Å; Q131-I143 HydrophobicContact CG-CD1 4.19Å; S140-I143 WeakPolarHBondContact O-CA 3.48Å; S140-I143 WeakPolarHBondContact O-CB 3.43Å; S140-I143 PolarHBondContact O-N 3.22Å; I143-S145 PolarHBondContact O-N 2.88Å; I143-S145 VanDerWaalsContact O-N 3.1Å
144	D	87.6	Confident	92	Very high	135 Å²	135	65.7 Å²	65.7	72%	0.722	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	0.9	174.3	-61.4	-50.6	0	0	0	114	S140	S140-D144 PolarHBondContact O-N 2.99Å
145	S	89.6	Confident	92	Very high	48 Å²	48	65.3 Å²	65.3	34%	0.336	35%	0.345	S	S	.	.			trans	-121	142.7	-170.6	83.7	0	0	0	0	114.8	S141 V142 I143 E147	S141-S145 WeakPolarHBondContact O-CB 3.14Å; V142-S145 PolarHBondContact O-N 2.98Å; V142-S145 PolarHBondContact O-OG 3.4Å; I143-S145 PolarHBondContact O-N 2.88Å; I143-S145 VanDerWaalsContact O-N 3.1Å; S145-E147 PolarHBondContact O-N 2.96Å; S145-E147 PolarHBondContact OG-N 3.39Å
146	D	86	Confident	92	Very high	186 Å²	186	63.3 Å²	63.3	100%	0.995	33%	0.332	S	S	*	.	S	Bend	trans	-75.2	8.2	164.9	-83.8	-24.8	0	0	0	112.4
147	E	88.6	Confident	91.8	Very high	157 Å²	157	63.3 Å²	63.3	73%	0.734	33%	0.334	S	S	*	.	S	Bend	trans	-85.3	140.5	178.5	-72.9	-156.3	-167.8	0	0	112.2	S145 W149	S145-E147 PolarHBondContact O-N 2.96Å; S145-E147 PolarHBondContact OG-N 3.39Å; E147-W149 PolarHBondContact O-N 3.45Å
148	K	91.4	Very high	91.6	Very high	160 Å²	160	59 Å²	59	70%	0.696	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-68.3	125.7	-175.8	-72.9	-173.8	165.3	-80.3	0	112.7	D123	D123-K148 HydrophobicContact CB-CB 4.22Å; D123-K148 HydrophobicContact CB-CD 4.47Å; D123-K148 HydrophobicContact CB-CG 4.43Å; D123-K148 IonicContact OD1-NZ 2.8Å; D123-K148 PolarHBondContact OD1-NZ 2.89Å; D123-K148 WeakPolarHBondContact OD2-CA 3.29Å; D123-K148 WeakPolarHBondContact OD2-CB 3.49Å
149	W	94.5	Very high	91.6	Very high	28 Å²	28	58.7 Å²	58.7	11%	0.106	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-97.5	135.7	176.4	-175.8	79.6	0	0	0	112.6	V120 C122 D123 Y129 H134 I138 V142 E147 C151	V120-W149 HydrophobicContact CB-CE3 4.45Å; V120-W149 HydrophobicContact CB-CZ3 4.47Å; V120-W149 HydrophobicContact CG1-CD2 3.9Å; V120-W149 HydrophobicContact CG1-CE3 3.66Å; V120-W149 HydrophobicContact CG1-CG 4.26Å; V120-W149 HydrophobicContact CG1-CZ3 4.15Å; C122-W149 HydrophobicContact CB-CE3 4.21Å; C122-W149 HydrophobicContact CB-CZ3 3.89Å; D123-W149 WeakPolarHBondContact CB-O 3.4Å; D123-W149 PolarHBondContact N-O 3.21Å; D123-W149 PolarHBondContact OD2-N 3.05Å; Y129-W149 AromaticContact CD2-CH2 3.72Å; Y129-W149 HydrophobicContact CD2-CH2 3.72Å; Y129-W149 AromaticContact CD2-CZ3 3.86Å; Y129-W149 HydrophobicContact CD2-CZ3 3.86Å; Y129-W149 HydrophobicContact CE2-CH2 4.37Å; Y129-W149 HydrophobicContact CE2-CZ3 4.46Å; Y129-W149 HydrophobicContact CG-CH2 4.15Å; H134-W149 AromaticContact CD2-CH2 3.84Å; H134-W149 AromaticContact CD2-CZ2 3.83Å; H134-W149 AromaticContact CE1-CZ2 3.9Å; H134-W149 AromaticContact NE2-CZ2 3.76Å; I138-W149 HydrophobicContact CD1-CH2 3.55Å; I138-W149 HydrophobicContact CD1-CZ2 3.34Å; I138-W149 HydrophobicContact CD1-CZ3 4.29Å; I138-W149 HydrophobicContact CG1-CH2 4.45Å; I138-W149 HydrophobicContact CG1-CZ2 3.79Å; V142-W149 HydrophobicContact CG1-CB 3.68Å; V142-W149 VanDerWaalsContact CG1-CD1 3.46Å; V142-W149 HydrophobicContact CG1-CG 3.67Å; E147-W149 PolarHBondContact O-N 3.45Å; W149-C151 HydrophobicContact CH2-CB 3.55Å; W149-C151 HydrophobicContact CZ2-CB 4.2Å; W149-C151 HydrophobicContact CZ3-CB 3.92Å
150	L	94.9	Very high	91.6	Very high	29 Å²	29	54.8 Å²	54.8	15%	0.152	30%	0.295	C	S	.	.			trans	-123.5	127.9	177.3	-63.4	179.3	0	0	0	109.4	D123 K124 C154 V155 N171 M178	D123-L150 HydrophobicContact CB-CD2 4.03Å; K124-L150 HydrophobicContact CB-CD2 3.52Å; L150-C154 HydrophobicContact CB-CB 4.35Å; L150-C154 HydrophobicContact CD2-CB 4.47Å; L150-V155 HydrophobicContact CB-CG2 3.59Å; L150-V155 WeakPolarHBondContact O-CG2 3.33Å; L150-N171 VanDerWaalsContact CD1-ND2 3.3Å; L150-N171 WeakPolarHBondContact CD1-ND2 3.38Å; L150-M178 VanDerWaalsContact O-CE 3.26Å; L150-M178 WeakPolarHBondContact O-CE 3.38Å
151	C	94.1	Very high	91.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.			trans	-63.2	160.8	172.8	74.1	0	0	0	0	111.7	C122 Y129 W149 Q153 C154 V155	C122-C151 HydrophobicContact CB-CB 4.01Å; C122-C151 PolarHBondContact SG-N 2.92Å; C122-C151 VanDerWaalsContact SG-SG 3.63Å; Y129-C151 HydrophobicContact CD2-CB 3.96Å; Y129-C151 HydrophobicContact CE2-CB 3.35Å; Y129-C151 PolarHBondContact OH-SG 3.33Å; Y129-C151 VanDerWaalsContact OH-SG 3.36Å; W149-C151 HydrophobicContact CH2-CB 3.55Å; W149-C151 HydrophobicContact CZ2-CB 4.2Å; W149-C151 HydrophobicContact CZ3-CB 3.92Å; C151-Q153 PolarHBondContact O-N 3.2Å; C151-Q153 VanDerWaalsContact O-N 3.08Å; C151-C154 PolarHBondContact O-N 3Å; C151-V155 PolarHBondContact O-N 3.48Å
152	R	94.8	Very high	91.9	Very high	26 Å²	26	62.2 Å²	62.2	10%	0.098	31%	0.306	C	S	.	.	H	α-helix	trans	-46.6	-45	-178.9	-170.2	-172.4	-169	85.2	5.1	112.9	H134 T135 V155 F156 M178 T181 Y205	H134-R152 PolarHBondContact NE2-N 3.39Å; T135-R152 WeakPolarHBondContact O-CD 3.41Å; T135-R152 PolarHBondContact O-NH1 3.07Å; R152-V155 PolarHBondContact O-N 3.24Å; R152-F156 HydrophobicContact CG-CD2 3.91Å; R152-F156 HydrophobicContact CG-CE2 3.9Å; R152-F156 VanDerWaalsContact O-CD2 3.27Å; R152-F156 WeakPolarHBondContact O-CD2 3.21Å; R152-F156 PolarHBondContact O-N 3.06Å; R152-M178 HydrophobicContact CB-SD 4.18Å; R152-M178 HydrophobicContact CG-SD 4.36Å; R152-M178 PolarHBondContact NH1-O 3.37Å; R152-M178 PolarHBondContact NH2-O 2.96Å; R152-T181 PolarHBondContact NH1-O 2.88Å; R152-T181 PolarHBondContact NH2-O 3.44Å; R152-Y205 PolarHBondContact NH2-O 2.96Å
153	Q	91.8	Very high	92.1	Very high	49 Å²	49	61.4 Å²	61.4	23%	0.229	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-42.9	-178.3	-169.3	158.6	34.7	0	0	112.2	F61 C151 A157	F61-Q153 HydrophobicContact CE2-CG 4.42Å; F61-Q153 HydrophobicContact CZ-CG 4.28Å; C151-Q153 PolarHBondContact O-N 3.2Å; C151-Q153 VanDerWaalsContact O-N 3.08Å; Q153-A157 VanDerWaalsContact O-CB 3.3Å; Q153-A157 WeakPolarHBondContact O-CB 3.36Å; Q153-A157 PolarHBondContact O-N 3.33Å
154	C	91.7	Very high	92.5	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-34.3	177.5	-75.9	0	0	0	0	112.8	K124 C125 L150 C151 T158	K124-C154 HydrophobicContact CB-CB 4.08Å; K124-C154 HydrophobicContact CD-CB 4.08Å; K124-C154 HydrophobicContact CG-CB 4.42Å; C125-C154 VanDerWaalsContact SG-SG 3.64Å; L150-C154 HydrophobicContact CB-CB 4.35Å; L150-C154 HydrophobicContact CD2-CB 4.47Å; C151-C154 PolarHBondContact O-N 3Å; C154-T158 WeakPolarHBondContact O-CB 3.42Å; C154-T158 VanDerWaalsContact O-CG2 3.31Å; C154-T158 WeakPolarHBondContact O-CG2 3.3Å; C154-T158 PolarHBondContact O-N 3.03Å; C154-T158 PolarHBondContact O-OG1 3.37Å
155	V	95.3	Very high	92.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-51.3	171.3	171.2	0	0	0	0	110.6	L150 C151 R152 T158 T159 A174 L175 M178	L150-V155 HydrophobicContact CB-CG2 3.59Å; L150-V155 WeakPolarHBondContact O-CG2 3.33Å; C151-V155 PolarHBondContact O-N 3.48Å; R152-V155 PolarHBondContact O-N 3.24Å; V155-T158 PolarHBondContact O-N 3.27Å; V155-T158 PolarHBondContact O-OG1 2.84Å; V155-T159 WeakPolarHBondContact O-CB 3.42Å; V155-T159 WeakPolarHBondContact O-CG2 3.49Å; V155-T159 PolarHBondContact O-N 3.05Å; V155-T159 PolarHBondContact O-OG1 3.42Å; V155-A174 HydrophobicContact CG1-CB 3.98Å; V155-A174 HydrophobicContact CG2-CB 4.04Å; V155-L175 HydrophobicContact CG1-CB 3.86Å; V155-M178 HydrophobicContact CB-CE 4.47Å; V155-M178 HydrophobicContact CB-SD 3.71Å; V155-M178 HydrophobicContact CG1-SD 3.87Å; V155-M178 HydrophobicContact CG2-CE 3.81Å; V155-M178 HydrophobicContact CG2-SD 3.7Å
156	F	94.4	Very high	93.2	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.044	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-55.2	176.7	-87.8	-109.9	0	0	0	110.7	R152 T158 T159 T160 L175 K179 C206	R152-F156 HydrophobicContact CG-CD2 3.91Å; R152-F156 HydrophobicContact CG-CE2 3.9Å; R152-F156 VanDerWaalsContact O-CD2 3.27Å; R152-F156 WeakPolarHBondContact O-CD2 3.21Å; R152-F156 PolarHBondContact O-N 3.06Å; F156-T158 VanDerWaalsContact C-N 3.25Å; F156-T158 PolarHBondContact O-N 3.01Å; F156-T158 VanDerWaalsContact O-N 3.13Å; F156-T159 PolarHBondContact O-N 2.79Å; F156-T159 PolarHBondContact O-OG1 3.15Å; F156-T160 HydrophobicContact CB-CG2 4.28Å; F156-T160 HydrophobicContact CD1-CG2 3.87Å; F156-T160 HydrophobicContact CG-CG2 4.43Å; F156-T160 WeakPolarHBondContact O-CG2 3.43Å; F156-T160 PolarHBondContact O-N 3.06Å; F156-T160 PolarHBondContact O-OG1 2.99Å; F156-L175 HydrophobicContact CD1-CD1 4.12Å; F156-L175 HydrophobicContact CD2-CD1 3.71Å; F156-L175 HydrophobicContact CE1-CD1 3.96Å; F156-L175 HydrophobicContact CE2-CD1 3.55Å; F156-L175 HydrophobicContact CG-CD1 4.01Å; F156-L175 HydrophobicContact CZ-CD1 3.68Å; F156-K179 HydrophobicContact CZ-CB 4.31Å; F156-C206 HydrophobicContact CD1-CB 3.96Å; F156-C206 HydrophobicContact CE1-CB 3.83Å
157	A	90.1	Very high	93.7	Very high	29 Å²	29	50.1 Å²	50.1	24%	0.24	24%	0.241	C	C	.	.	H	α-helix	trans	-54.2	-38	-179.3	0	0	0	0	0	113.8	Q153 T159 Y555	Q153-A157 VanDerWaalsContact O-CB 3.3Å; Q153-A157 WeakPolarHBondContact O-CB 3.36Å; Q153-A157 PolarHBondContact O-N 3.33Å; A157-T159 VanDerWaalsContact C-N 3.35Å; A157-Y555 WeakPolarHBondContact CB-OH 3.28Å; A157-Y555 PolarHBondContact O-OH 2.8Å; A157-Y555 VanDerWaalsContact O-OH 3.08Å
158	T	91.1	Very high	94	Very high	35 Å²	35	51.6 Å²	51.6	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-81.5	-6.6	179.4	54.9	0	0	0	0	114.7	K124 C154 V155 F156 L166 N171 Y555	K124-T158 HydrophobicContact CD-CG2 3.86Å; C154-T158 WeakPolarHBondContact O-CB 3.42Å; C154-T158 VanDerWaalsContact O-CG2 3.31Å; C154-T158 WeakPolarHBondContact O-CG2 3.3Å; C154-T158 PolarHBondContact O-N 3.03Å; C154-T158 PolarHBondContact O-OG1 3.37Å; V155-T158 PolarHBondContact O-N 3.27Å; V155-T158 PolarHBondContact O-OG1 2.84Å; F156-T158 VanDerWaalsContact C-N 3.25Å; F156-T158 PolarHBondContact O-N 3.01Å; F156-T158 VanDerWaalsContact O-N 3.13Å; T158-L166 WeakPolarHBondContact O-CD1 3.14Å; T158-N171 PolarHBondContact OG1-ND2 2.66Å; T158-Y555 VanDerWaalsContact CA-OH 3.29Å; T158-Y555 WeakPolarHBondContact CA-OH 3.36Å; T158-Y555 HydrophobicContact CG2-CE2 4.11Å; T158-Y555 WeakPolarHBondContact CG2-OH 3.2Å; T158-Y555 PolarHBondContact N-OH 2.91Å; T158-Y555 VanDerWaalsContact N-OH 3.11Å
159	T	94.4	Very high	94.1	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-126	-28.7	-173.5	55.9	0	0	0	0	114.7	V155 F156 A157 A165 L166 N171 L175	V155-T159 WeakPolarHBondContact O-CB 3.42Å; V155-T159 WeakPolarHBondContact O-CG2 3.49Å; V155-T159 PolarHBondContact O-N 3.05Å; V155-T159 PolarHBondContact O-OG1 3.42Å; F156-T159 PolarHBondContact O-N 2.79Å; F156-T159 PolarHBondContact O-OG1 3.15Å; A157-T159 VanDerWaalsContact C-N 3.35Å; T159-A165 CarbonylContact O-C 3.57Å; T159-A165 WeakPolarHBondContact O-CA 3.23Å; T159-A165 WeakPolarHBondContact O-CB 3.42Å; T159-L166 PolarHBondContact O-N 2.9Å; T159-N171 HydrophobicContact CG2-CB 3.47Å; T159-N171 VanDerWaalsContact CG2-CB 3.47Å; T159-N171 WeakPolarHBondContact CG2-O 3.46Å; T159-L175 HydrophobicContact CG2-CB 4.33Å; T159-L175 WeakPolarHBondContact OG1-CD2 3.18Å
160	T	93.8	Very high	94	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.104	26%	0.258	C	S	.	.			trans	-74.5	128.6	178.4	56.9	0	0	0	0	110.9	L60 F156 A229 C230	L60-T160 WeakPolarHBondContact CD2-O 2.93Å; L60-T160 WeakPolarHBondContact CD2-OG1 3.42Å; F156-T160 HydrophobicContact CB-CG2 4.28Å; F156-T160 HydrophobicContact CD1-CG2 3.87Å; F156-T160 HydrophobicContact CG-CG2 4.43Å; F156-T160 WeakPolarHBondContact O-CG2 3.43Å; F156-T160 PolarHBondContact O-N 3.06Å; F156-T160 PolarHBondContact O-OG1 2.99Å; T160-A229 WeakPolarHBondContact CA-O 3.38Å; T160-A229 WeakPolarHBondContact CB-O 3.37Å; T160-A229 WeakPolarHBondContact CG2-O 3.32Å; T160-C230 HydrophobicContact CG2-CB 4.49Å
161	K	94.1	Very high	93.9	Very high	123 Å²	123	50.4 Å²	50.4	54%	0.535	26%	0.264	S	S	.	.			trans	-146.7	144.2	-178.2	-174.8	173.1	-179.9	171.8	0	111	G163 G164 A229	K161-G163 PolarHBondContact O-N 3.39Å; K161-G164 CarbonylContact O-C 3.55Å; K161-G164 PolarHBondContact O-N 3.44Å; K161-A229 PolarHBondContact N-O 3.41Å; K161-A229 WeakPolarHBondContact O-CA 3.45Å
162	R	94.1	Very high	94	Very high	167 Å²	167	50.6 Å²	50.6	63%	0.63	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	129.1	173.4	-59.8	-175.7	-176.5	145.4	-2.2	109.9	L60 Y62	L60-R162 HydrophobicContact CD1-CG 3.55Å; Y62-R162 PolarHBondContact OH-NH2 3.15Å
163	G	93.8	Very high	94	Very high	20 Å²	20	57 Å²	57	21%	0.206	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-7.6	-174.1	0	0	0	0	0	116.7	K161 E228	K161-G163 PolarHBondContact O-N 3.39Å; G163-E228 VanDerWaalsContact CA-CD 3.45Å; G163-E228 VanDerWaalsContact N-CD 3.31Å; G163-E228 PolarHBondContact N-OE2 3.26Å; G163-E228 VanDerWaalsContact N-OE2 3.12Å
164	G	96.1	Very high	94.1	Very high	16 Å²	16	56.2 Å²	56.2	17%	0.165	30%	0.296	C	S	.	.	S	Bend	trans	138.6	142.3	178.2	0	0	0	0	0	112.9	K161 E228	K161-G164 CarbonylContact O-C 3.55Å; K161-G164 PolarHBondContact O-N 3.44Å; G164-E228 WeakPolarHBondContact CA-O 3.4Å
165	A	97	Very high	94.4	Very high	4 Å²	4	56 Å²	56	3%	0.033	30%	0.295	C	S	.	.			trans	-68.9	158	175.8	0	0	0	0	0	112.7	T159 K167 L175 A229 V231 Q232	T159-A165 CarbonylContact O-C 3.57Å; T159-A165 WeakPolarHBondContact O-CA 3.23Å; T159-A165 WeakPolarHBondContact O-CB 3.42Å; A165-K167 PolarHBondContact O-N 2.93Å; A165-L175 HydrophobicContact CB-CD2 3.71Å; A165-A229 WeakPolarHBondContact CB-O 3.38Å; A165-V231 WeakPolarHBondContact CB-O 3.07Å; A165-V231 PolarHBondContact N-O 3.44Å; A165-Q232 HydrophobicContact CB-CG 3.71Å
166	L	96.3	Very high	94.5	Very high	81 Å²	81	57.7 Å²	57.7	42%	0.424	30%	0.302	S	S	.	.			trans	-56.7	129.6	178.7	-64.2	-176.9	0	0	0	111.8	T158 T159 A172 Q232	T158-L166 WeakPolarHBondContact O-CD1 3.14Å; T159-L166 PolarHBondContact O-N 2.9Å; L166-A172 HydrophobicContact CB-CB 4.24Å; L166-A172 WeakPolarHBondContact O-CB 3.44Å; L166-Q232 PolarHBondContact O-NE2 2.61Å
167	K	95.9	Very high	94.6	Very high	96 Å²	96	61.4 Å²	61.4	42%	0.417	33%	0.326	S	S	.	.			trans	-96.4	-8.4	-176	-51.5	-167.8	-174.7	-161.8	0	115.2	A165 Q232 L234	A165-K167 PolarHBondContact O-N 2.93Å; K167-Q232 VanDerWaalsContact CD-O 3.29Å; K167-Q232 WeakPolarHBondContact CD-O 3.41Å; K167-Q232 WeakPolarHBondContact CE-O 3.39Å; K167-Q232 WeakPolarHBondContact CG-O 3.2Å; K167-Q232 PolarHBondContact NZ-O 2.99Å; K167-L234 VanDerWaalsContact CE-O 3.22Å; K167-L234 WeakPolarHBondContact CE-O 3.4Å; K167-L234 PolarHBondContact NZ-O 3.29Å
168	K	94.8	Very high	94.8	Very high	187 Å²	187	60.7 Å²	60.7	81%	0.813	32%	0.318	S	S	*	.	S	Bend	trans	-145.2	156.9	-172.4	-66.1	-174.8	179	-179.4	0	110.7	A172	K168-A172 VanDerWaalsContact O-CB 3.3Å; K168-A172 WeakPolarHBondContact O-CB 3.39Å
169	G	93.9	Very high	95.1	Very high	42 Å²	42	59 Å²	59	43%	0.433	31%	0.308	S	S	.	.	S	Bend	trans	96.6	170.6	-176.2	0	0	0	0	0	113.4	A172 K173	G169-A172 PolarHBondContact O-N 2.59Å; G169-K173 PolarHBondContact O-N 2.94Å
170	P	92.2	Very high	95.2	Very high	99 Å²	99	62.1 Å²	62.1	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-58.7	-52.7	-176.5	-25.2	35.4	0	0	0	112.8	A172 K173 A174	P170-A172 PolarHBondContact O-N 3.16Å; P170-K173 WeakPolarHBondContact O-CA 3.44Å; P170-K173 WeakPolarHBondContact O-CB 3.13Å; P170-K173 PolarHBondContact O-N 2.8Å; P170-A174 PolarHBondContact O-N 2.79Å
171	N	92.8	Very high	95.3	Very high	51 Å²	51	64.1 Å²	64.1	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-34.7	-178.8	-54	33.6	0	0	0	111.9	L150 T158 T159 K173 A174 L175	L150-N171 VanDerWaalsContact CD1-ND2 3.3Å; L150-N171 WeakPolarHBondContact CD1-ND2 3.38Å; T158-N171 PolarHBondContact OG1-ND2 2.66Å; T159-N171 HydrophobicContact CG2-CB 3.47Å; T159-N171 VanDerWaalsContact CG2-CB 3.47Å; T159-N171 WeakPolarHBondContact CG2-O 3.46Å; N171-K173 PolarHBondContact O-N 2.67Å; N171-A174 PolarHBondContact O-N 2.96Å; N171-L175 PolarHBondContact O-N 3.44Å
172	A	95.5	Very high	95.5	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-35.1	175.6	0	0	0	0	0	112.9	L166 K168 G169 P170 Q176 Q232	L166-A172 HydrophobicContact CB-CB 4.24Å; L166-A172 WeakPolarHBondContact O-CB 3.44Å; K168-A172 VanDerWaalsContact O-CB 3.3Å; K168-A172 WeakPolarHBondContact O-CB 3.39Å; G169-A172 PolarHBondContact O-N 2.59Å; P170-A172 PolarHBondContact O-N 3.16Å; A172-Q176 WeakPolarHBondContact O-CB 3.49Å; A172-Q176 PolarHBondContact O-N 3.3Å; A172-Q232 PolarHBondContact O-NE2 2.44Å
173	K	95.4	Very high	95.6	Very high	161 Å²	161	54.3 Å²	54.3	70%	0.7	30%	0.303	S	S	*	.	H	α-helix	trans	-67.3	-46.2	169.5	-65.5	179.7	175	-176.7	0	110.5	G169 P170 N171 L175 Q176 V177	G169-K173 PolarHBondContact O-N 2.94Å; P170-K173 WeakPolarHBondContact O-CA 3.44Å; P170-K173 WeakPolarHBondContact O-CB 3.13Å; P170-K173 PolarHBondContact O-N 2.8Å; N171-K173 PolarHBondContact O-N 2.67Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 2.79Å; K173-Q176 CarbonylContact O-C 3.59Å; K173-Q176 WeakPolarHBondContact O-CA 3.26Å; K173-Q176 WeakPolarHBondContact O-CB 3.38Å; K173-Q176 PolarHBondContact O-N 2.94Å; K173-V177 PolarHBondContact O-N 3.06Å
174	A	94.8	Very high	95.6	Very high	33 Å²	33	55.2 Å²	55.2	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-45	178.4	0	0	0	0	0	111.8	V155 P170 N171 Q176 V177 M178	V155-A174 HydrophobicContact CG1-CB 3.98Å; V155-A174 HydrophobicContact CG2-CB 4.04Å; P170-A174 PolarHBondContact O-N 2.79Å; N171-A174 PolarHBondContact O-N 2.96Å; A174-Q176 VanDerWaalsContact C-N 3.32Å; A174-Q176 PolarHBondContact O-N 2.78Å; A174-V177 PolarHBondContact O-N 3.5Å; A174-M178 WeakPolarHBondContact O-CB 3.47Å; A174-M178 VanDerWaalsContact O-CG 3.28Å; A174-M178 WeakPolarHBondContact O-CG 3.31Å; A174-M178 PolarHBondContact O-N 2.74Å
175	L	96.9	Very high	95.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-45.8	173.1	177.8	67.5	0	0	0	111	V155 F156 T159 A165 N171 K173 V177 M178 K179 Q232	V155-L175 HydrophobicContact CG1-CB 3.86Å; F156-L175 HydrophobicContact CD1-CD1 4.12Å; F156-L175 HydrophobicContact CD2-CD1 3.71Å; F156-L175 HydrophobicContact CE1-CD1 3.96Å; F156-L175 HydrophobicContact CE2-CD1 3.55Å; F156-L175 HydrophobicContact CG-CD1 4.01Å; F156-L175 HydrophobicContact CZ-CD1 3.68Å; T159-L175 HydrophobicContact CG2-CB 4.33Å; T159-L175 WeakPolarHBondContact OG1-CD2 3.18Å; A165-L175 HydrophobicContact CB-CD2 3.71Å; N171-L175 PolarHBondContact O-N 3.44Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 2.79Å; L175-V177 VanDerWaalsContact C-N 3.26Å; L175-V177 PolarHBondContact O-N 2.93Å; L175-M178 PolarHBondContact O-N 2.99Å; L175-K179 HydrophobicContact CG-CD 4.3Å; L175-K179 VanDerWaalsContact O-CB 3.24Å; L175-K179 WeakPolarHBondContact O-CB 3.41Å; L175-K179 WeakPolarHBondContact O-CG 3.38Å; L175-K179 PolarHBondContact O-N 2.82Å; L175-Q232 HydrophobicContact CD2-CG 3.99Å
176	Q	97.3	Very high	95.6	Very high	35 Å²	35	60.9 Å²	60.9	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-20.3	-179	-174.1	52.3	83.6	0	0	113.5	A172 K173 A174 K179 Q180 S250 G255	A172-Q176 WeakPolarHBondContact O-CB 3.49Å; A172-Q176 PolarHBondContact O-N 3.3Å; K173-Q176 CarbonylContact O-C 3.59Å; K173-Q176 WeakPolarHBondContact O-CA 3.26Å; K173-Q176 WeakPolarHBondContact O-CB 3.38Å; K173-Q176 PolarHBondContact O-N 2.94Å; A174-Q176 VanDerWaalsContact C-N 3.32Å; A174-Q176 PolarHBondContact O-N 2.78Å; Q176-K179 VanDerWaalsContact NE2-CE 3.34Å; Q176-K179 VanDerWaalsContact OE1-CE 3.26Å; Q176-Q180 PolarHBondContact O-NE2 2.79Å; Q176-S250 PolarHBondContact NE2-OG 3.41Å; Q176-G255 PolarHBondContact NE2-O 3.15Å; Q176-G255 VanDerWaalsContact NE2-O 3.08Å
177	V	95.8	Very high	95.6	Very high	88 Å²	88	61.2 Å²	61.2	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-81.7	-58.5	166.2	176	0	0	0	0	109.8	K173 A174 L175 K179 Q180	K173-V177 PolarHBondContact O-N 3.06Å; A174-V177 PolarHBondContact O-N 3.5Å; L175-V177 VanDerWaalsContact C-N 3.26Å; L175-V177 PolarHBondContact O-N 2.93Å; V177-K179 PolarHBondContact O-N 2.83Å; V177-K179 VanDerWaalsContact O-N 3.11Å; V177-Q180 WeakPolarHBondContact O-CB 3.44Å; V177-Q180 WeakPolarHBondContact O-CG 3.41Å; V177-Q180 PolarHBondContact O-N 3.37Å
178	M	95.6	Very high	95.6	Very high	15 Å²	15	61.8 Å²	61.8	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-32.9	-172.7	-69.7	-177.2	170.1	0	0	114.2	P136 L150 R152 V155 A174 L175 Q180 T181	P136-M178 HydrophobicContact CG-CG 4.39Å; L150-M178 VanDerWaalsContact O-CE 3.26Å; L150-M178 WeakPolarHBondContact O-CE 3.38Å; R152-M178 HydrophobicContact CB-SD 4.18Å; R152-M178 HydrophobicContact CG-SD 4.36Å; R152-M178 PolarHBondContact NH1-O 3.37Å; R152-M178 PolarHBondContact NH2-O 2.96Å; V155-M178 HydrophobicContact CB-CE 4.47Å; V155-M178 HydrophobicContact CB-SD 3.71Å; V155-M178 HydrophobicContact CG1-SD 3.87Å; V155-M178 HydrophobicContact CG2-CE 3.81Å; V155-M178 HydrophobicContact CG2-SD 3.7Å; A174-M178 WeakPolarHBondContact O-CB 3.47Å; A174-M178 VanDerWaalsContact O-CG 3.28Å; A174-M178 WeakPolarHBondContact O-CG 3.31Å; A174-M178 PolarHBondContact O-N 2.74Å; L175-M178 PolarHBondContact O-N 2.99Å; M178-Q180 PolarHBondContact O-N 2.81Å; M178-T181 PolarHBondContact O-N 3.4Å
179	K	96.6	Very high	95.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2	-179.3	84.7	-176	-169.3	-172.9	0	114.4	F156 L175 Q176 V177 T181 Y205 S250 V251 E257	F156-K179 HydrophobicContact CZ-CB 4.31Å; L175-K179 HydrophobicContact CG-CD 4.3Å; L175-K179 VanDerWaalsContact O-CB 3.24Å; L175-K179 WeakPolarHBondContact O-CB 3.41Å; L175-K179 WeakPolarHBondContact O-CG 3.38Å; L175-K179 PolarHBondContact O-N 2.82Å; Q176-K179 VanDerWaalsContact NE2-CE 3.34Å; Q176-K179 VanDerWaalsContact OE1-CE 3.26Å; V177-K179 PolarHBondContact O-N 2.83Å; V177-K179 VanDerWaalsContact O-N 3.11Å; K179-T181 VanDerWaalsContact C-N 3.3Å; K179-Y205 HydrophobicContact CB-CD1 3.79Å; K179-Y205 HydrophobicContact CB-CD2 4.02Å; K179-Y205 HydrophobicContact CB-CE1 4.26Å; K179-Y205 HydrophobicContact CB-CE2 4.47Å; K179-Y205 HydrophobicContact CB-CG 3.64Å; K179-Y205 HydrophobicContact CD-CD2 4.03Å; K179-Y205 HydrophobicContact CD-CE1 4.45Å; K179-Y205 HydrophobicContact CD-CE2 3.78Å; K179-Y205 HydrophobicContact CD-CG 4.46Å; K179-Y205 HydrophobicContact CG-CD1 4.23Å; K179-Y205 HydrophobicContact CG-CD2 4.39Å; K179-Y205 HydrophobicContact CG-CE1 4.19Å; K179-Y205 HydrophobicContact CG-CE2 4.35Å; K179-Y205 HydrophobicContact CG-CG 4.32Å; K179-Y205 WeakPolarHBondContact O-CD1 3.45Å; K179-Y205 WeakPolarHBondContact O-CE1 3.4Å; K179-S250 WeakPolarHBondContact CE-OG 3.38Å; K179-V251 WeakPolarHBondContact O-CG2 3.08Å; K179-E257 WeakPolarHBondContact CE-OE1 3.21Å; K179-E257 IonicContact NZ-OE1 2.8Å; K179-E257 PolarHBondContact NZ-OE1 2.82Å; K179-E257 IonicContact NZ-OE2 3.09Å; K179-E257 PolarHBondContact NZ-OE2 3.2Å
180	Q	96.7	Very high	95.9	Very high	66 Å²	66	57.7 Å²	57.7	31%	0.308	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.8	169	-61.8	176.2	44.4	0	0	111.6	Q176 V177 M178 S254	Q176-Q180 PolarHBondContact O-NE2 2.79Å; V177-Q180 WeakPolarHBondContact O-CB 3.44Å; V177-Q180 WeakPolarHBondContact O-CG 3.41Å; V177-Q180 PolarHBondContact O-N 3.37Å; M178-Q180 PolarHBondContact O-N 2.81Å; Q180-S254 PolarHBondContact OE1-O 2.9Å
181	T	97	Very high	96.2	Very high	58 Å²	58	55.8 Å²	55.8	36%	0.356	31%	0.309	S	S	.	.	S	Bend	trans	-105.4	135.6	172.7	-42.3	0	0	0	0	110	T135 R152 M178 K179	T135-T181 HydrophobicContact CG2-CG2 3.61Å; R152-T181 PolarHBondContact NH1-O 2.88Å; R152-T181 PolarHBondContact NH2-O 3.44Å; M178-T181 PolarHBondContact O-N 3.4Å; K179-T181 VanDerWaalsContact C-N 3.3Å
182	L	97.3	Very high	96.5	Very high	29 Å²	29	56 Å²	56	15%	0.152	31%	0.31	C	S	.	.			trans	-89.4	143.9	173.7	-63.7	176.1	0	0	0	110.4	Y184 V186 Y205 V251	L182-Y184 HydrophobicContact CB-CD1 4.32Å; L182-Y184 HydrophobicContact CB-CE1 4.19Å; L182-Y184 HydrophobicContact CD1-CE2 3.97Å; L182-Y184 HydrophobicContact CD2-CE1 4.1Å; L182-Y184 PolarHBondContact O-N 3.04Å; L182-V186 HydrophobicContact CD1-CG1 3.49Å; L182-V186 VanDerWaalsContact CD1-CG1 3.49Å; L182-Y205 HydrophobicContact CD2-CD1 4.3Å; L182-V251 HydrophobicContact CD1-CG2 4.36Å; L182-V251 HydrophobicContact CD2-CG2 3.79Å; L182-V251 HydrophobicContact CG-CG1 4.49Å; L182-V251 HydrophobicContact CG-CG2 3.84Å
183	P	95.4	Very high	96.5	Very high	56 Å²	56	61.6 Å²	61.6	36%	0.364	36%	0.356	S	S	.	.	S	Bend	trans	-84.6	24.1	175.1	36.6	-33.9	0	0	0	112.3	Y205	P183-Y205 WeakPolarHBondContact CD-O 3.31Å
184	Y	95.6	Very high	96.4	Very high	39 Å²	39	55.8 Å²	55.8	15%	0.153	34%	0.341	C	S	.	.	S	Bend	trans	-158.8	155.6	-178	60.3	-92.5	0	0	0	110.1	L182 V186 L189 C202 C204 Q224	L182-Y184 HydrophobicContact CB-CD1 4.32Å; L182-Y184 HydrophobicContact CB-CE1 4.19Å; L182-Y184 HydrophobicContact CD1-CE2 3.97Å; L182-Y184 HydrophobicContact CD2-CE1 4.1Å; L182-Y184 PolarHBondContact O-N 3.04Å; Y184-V186 HydrophobicContact CE2-CG1 4.07Å; Y184-L189 HydrophobicContact CD2-CD1 4.29Å; Y184-L189 HydrophobicContact CE2-CD1 3.91Å; Y184-C202 WeakPolarHBondContact CD1-SG 3.08Å; Y184-C204 VanDerWaalsContact CE1-O 3.23Å; Y184-C204 WeakPolarHBondContact CE1-O 3.41Å; Y184-C204 PolarHBondContact OH-O 2.86Å; Y184-Q224 PolarHBondContact OH-NE2 3.11Å
185	S	96.3	Very high	96.5	Very high	51 Å²	51	56.8 Å²	56.8	36%	0.357	34%	0.34	S	S	.	.			trans	-78	136.7	170.5	167.7	0	0	0	0	110.9	A187 D188	S185-A187 PolarHBondContact OG-N 3.29Å; S185-D188 WeakPolarHBondContact CB-OD1 3.25Å; S185-D188 WeakPolarHBondContact CB-OD2 3.25Å; S185-D188 VanDerWaalsContact OG-CG 3.3Å; S185-D188 PolarHBondContact OG-OD1 3.44Å
186	V	95.9	Very high	96.5	Very high	87 Å²	87	58.8 Å²	58.8	53%	0.527	35%	0.349	S	S	.	.	S	Bend	trans	-81.7	-15.2	175	-65.2	0	0	0	0	113.3	L182 Y184	L182-V186 HydrophobicContact CD1-CG1 3.49Å; L182-V186 VanDerWaalsContact CD1-CG1 3.49Å; Y184-V186 HydrophobicContact CE2-CG1 4.07Å
187	A	96.1	Very high	96.5	Very high	89 Å²	89	60.1 Å²	60.1	74%	0.736	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-26.6	177.1	0	0	0	0	0	111.9	S185 L189	S185-A187 PolarHBondContact OG-N 3.29Å; A187-L189 PolarHBondContact O-N 2.92Å
188	D	96.4	Very high	96.6	Very high	107 Å²	107	56.2 Å²	56.2	57%	0.572	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	8.7	-175.4	-50.3	16	0	0	0	112.5	S185 Q200	S185-D188 WeakPolarHBondContact CB-OD1 3.25Å; S185-D188 WeakPolarHBondContact CB-OD2 3.25Å; S185-D188 VanDerWaalsContact OG-CG 3.3Å; S185-D188 PolarHBondContact OG-OD1 3.44Å; D188-Q200 PolarHBondContact O-NE2 3.09Å; D188-Q200 VanDerWaalsContact O-NE2 3.11Å
189	L	97.4	Very high	96.7	Very high	19 Å²	19	60.5 Å²	60.5	10%	0.099	36%	0.362	C	S	.	.			trans	-101.9	111.8	-175.1	-60.1	-175.8	0	0	0	111.2	Y184 A187 W191 N198 Q200 C202	Y184-L189 HydrophobicContact CD2-CD1 4.29Å; Y184-L189 HydrophobicContact CE2-CD1 3.91Å; A187-L189 PolarHBondContact O-N 2.92Å; L189-W191 HydrophobicContact CD1-CZ2 4.07Å; L189-W191 PolarHBondContact O-N 3.42Å; L189-N198 HydrophobicContact CB-CB 4.42Å; L189-Q200 HydrophobicContact CD2-CB 3.96Å; L189-Q200 HydrophobicContact CD2-CG 4.12Å; L189-C202 HydrophobicContact CD2-CB 3.82Å
190	E	98	Very high	96.7	Very high	125 Å²	125	63.2 Å²	63.2	58%	0.584	38%	0.375	S	S	*	.			trans	-87.9	104.4	176.4	-63.5	162.2	-97.6	0	0	109.6	N198 V199 Q200	E190-N198 WeakPolarHBondContact O-CA 3.5Å; E190-N198 VanDerWaalsContact O-CB 3.31Å; E190-N198 WeakPolarHBondContact O-CB 3.5Å; E190-V199 HydrophobicContact CB-CG1 4.43Å; E190-V199 HydrophobicContact CB-CG2 4Å; E190-V199 PolarHBondContact O-N 2.87Å; E190-V199 VanDerWaalsContact O-N 3.13Å; E190-Q200 PolarHBondContact OE1-NE2 3.36Å
191	W	98.4	Very high	96.7	Very high	59 Å²	59	64.7 Å²	64.7	22%	0.223	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-91.1	149.2	-175.5	-70.5	89.2	0	0	0	113.5	L189 H195 T197 N198 Y203 Q224 W225	L189-W191 HydrophobicContact CD1-CZ2 4.07Å; L189-W191 PolarHBondContact O-N 3.42Å; W191-H195 AromaticContact CD1-CE1 3.5Å; W191-H195 AromaticContact CD1-ND1 3.97Å; W191-H195 AromaticContact CD2-CD2 3.85Å; W191-H195 AromaticContact CD2-CE1 3.45Å; W191-H195 VanDerWaalsContact CD2-CE1 3.45Å; W191-H195 AromaticContact CD2-CG 3.99Å; W191-H195 AromaticContact CD2-ND1 3.75Å; W191-H195 AromaticContact CD2-NE2 3.54Å; W191-H195 AromaticContact CE2-CE1 3.52Å; W191-H195 AromaticContact CE2-NE2 3.44Å; W191-H195 AromaticContact CE3-CD2 3.75Å; W191-H195 AromaticContact CE3-CG 4Å; W191-H195 AromaticContact CE3-NE2 3.89Å; W191-H195 AromaticContact CG-CE1 3.46Å; W191-H195 VanDerWaalsContact CG-CE1 3.46Å; W191-H195 AromaticContact CG-ND1 3.56Å; W191-H195 AromaticContact CZ2-NE2 3.73Å; W191-H195 AromaticContact CZ3-CD2 3.99Å; W191-H195 AromaticContact NE1-CE1 3.51Å; W191-H195 AromaticContact NE1-NE2 3.86Å; W191-T197 WeakPolarHBondContact CA-O 3.47Å; W191-T197 VanDerWaalsContact CE3-O 3.27Å; W191-N198 HydrophobicContact CD2-CB 3.97Å; W191-N198 HydrophobicContact CE3-CB 4.15Å; W191-N198 HydrophobicContact CG-CB 4.32Å; W191-N198 VanDerWaalsContact CH2-ND2 3.29Å; W191-N198 WeakPolarHBondContact CH2-ND2 3.34Å; W191-N198 HydrophobicContact CZ2-CB 4.47Å; W191-N198 VanDerWaalsContact CZ2-ND2 3.26Å; W191-N198 WeakPolarHBondContact CZ2-ND2 3.35Å; W191-N198 HydrophobicContact CZ3-CB 4.48Å; W191-Y203 AromaticContact CH2-CD1 3.9Å; W191-Y203 HydrophobicContact CH2-CD1 3.9Å; W191-Y203 AromaticContact CH2-CE1 3.83Å; W191-Y203 HydrophobicContact CH2-CE1 3.83Å; W191-Y203 HydrophobicContact CZ3-CD1 4.39Å; W191-Y203 AromaticContact CZ3-CE1 3.9Å; W191-Y203 HydrophobicContact CZ3-CE1 3.9Å; W191-Q224 VanDerWaalsContact CH2-OE1 3.3Å; W191-W225 AromaticContact CH2-CD1 3.97Å; W191-W225 AromaticContact CZ3-CD1 3.88Å
192	D	97.6	Very high	96.7	Very high	56 Å²	56	62.4 Å²	62.4	30%	0.299	37%	0.368	S	S	.	.			trans	-64.3	161.7	164.8	68.1	47.8	0	0	0	112.8	G194 H195 K196 T197	D192-G194 PolarHBondContact O-N 2.77Å; D192-G194 VanDerWaalsContact OD1-C 3.27Å; D192-G194 VanDerWaalsContact OD1-CA 3.23Å; D192-G194 WeakPolarHBondContact OD1-CA 3.37Å; D192-G194 PolarHBondContact OD1-N 3.01Å; D192-H195 PolarHBondContact O-N 3.05Å; D192-H195 PolarHBondContact OD1-N 2.77Å; D192-K196 PolarHBondContact OD1-N 2.75Å; D192-K196 WeakPolarHBondContact OD2-CB 3.33Å; D192-T197 PolarHBondContact N-O 2.97Å; D192-T197 WeakPolarHBondContact OD2-CA 3.33Å; D192-T197 WeakPolarHBondContact OD2-CB 3.37Å; D192-T197 PolarHBondContact OD2-N 3.39Å; D192-T197 PolarHBondContact OD2-OG1 3.47Å
193	A	96.1	Very high	96.8	Very high	120 Å²	120	61.4 Å²	61.4	99%	0.992	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.4	179.9	0	0	0	0	0	114.2
194	G	94.3	Very high	96.9	Very high	39 Å²	39	58.7 Å²	58.7	40%	0.402	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-7	173.5	0	0	0	0	0	113.9	D192 K196	D192-G194 PolarHBondContact O-N 2.77Å; D192-G194 VanDerWaalsContact OD1-C 3.27Å; D192-G194 VanDerWaalsContact OD1-CA 3.23Å; D192-G194 WeakPolarHBondContact OD1-CA 3.37Å; D192-G194 PolarHBondContact OD1-N 3.01Å; G194-K196 VanDerWaalsContact C-N 3.3Å; G194-K196 PolarHBondContact O-N 2.86Å; G194-K196 PolarHBondContact O-NZ 2.88Å
195	H	96.9	Very high	97	Very high	54 Å²	54	56.9 Å²	56.9	25%	0.25	34%	0.338	C	S	.	.	S	Bend	trans	48.8	50.5	-165.1	-153.3	98.6	0	0	0	111.9	W191 D192 Q218 K223 W225	W191-H195 AromaticContact CD1-CE1 3.5Å; W191-H195 AromaticContact CD1-ND1 3.97Å; W191-H195 AromaticContact CD2-CD2 3.85Å; W191-H195 AromaticContact CD2-CE1 3.45Å; W191-H195 VanDerWaalsContact CD2-CE1 3.45Å; W191-H195 AromaticContact CD2-CG 3.99Å; W191-H195 AromaticContact CD2-ND1 3.75Å; W191-H195 AromaticContact CD2-NE2 3.54Å; W191-H195 AromaticContact CE2-CE1 3.52Å; W191-H195 AromaticContact CE2-NE2 3.44Å; W191-H195 AromaticContact CE3-CD2 3.75Å; W191-H195 AromaticContact CE3-CG 4Å; W191-H195 AromaticContact CE3-NE2 3.89Å; W191-H195 AromaticContact CG-CE1 3.46Å; W191-H195 VanDerWaalsContact CG-CE1 3.46Å; W191-H195 AromaticContact CG-ND1 3.56Å; W191-H195 AromaticContact CZ2-NE2 3.73Å; W191-H195 AromaticContact CZ3-CD2 3.99Å; W191-H195 AromaticContact NE1-CE1 3.51Å; W191-H195 AromaticContact NE1-NE2 3.86Å; D192-H195 PolarHBondContact O-N 3.05Å; D192-H195 PolarHBondContact OD1-N 2.77Å; H195-Q218 PolarHBondContact O-NE2 3.1Å; H195-K223 VanDerWaalsContact CD2-CB 3.46Å; H195-K223 WeakPolarHBondContact CD2-CB 3.48Å; H195-K223 PolarHBondContact CD2-O 3.45Å; H195-K223 VanDerWaalsContact CD2-O 3.26Å; H195-K223 VanDerWaalsContact NE2-CB 3.32Å; H195-K223 WeakPolarHBondContact NE2-CB 3.26Å; H195-K223 PolarHBondContact NE2-O 2.78Å; H195-W225 PolarHBondContact O-NE1 3.27Å
196	K	96.4	Very high	97.1	Very high	43 Å²	43	54.9 Å²	54.9	19%	0.187	32%	0.324	C	S	.	.	S	Bend	trans	-110	-41	-178.2	-64	-55.7	-177.8	-77.3	0	113.3	D192 G194 W212 W225	D192-K196 PolarHBondContact OD1-N 2.75Å; D192-K196 WeakPolarHBondContact OD2-CB 3.33Å; G194-K196 VanDerWaalsContact C-N 3.3Å; G194-K196 PolarHBondContact O-N 2.86Å; G194-K196 PolarHBondContact O-NZ 2.88Å; K196-W212 HydrophobicContact CB-CD2 4.37Å; K196-W212 HydrophobicContact CB-CG 4.08Å; K196-W212 HydrophobicContact CD-CD2 3.7Å; K196-W212 HydrophobicContact CD-CE3 3.98Å; K196-W212 HydrophobicContact CD-CG 4.08Å; K196-W212 HydrophobicContact CD-CH2 4.39Å; K196-W212 HydrophobicContact CD-CZ2 4.15Å; K196-W212 HydrophobicContact CD-CZ3 4.32Å; K196-W212 HydrophobicContact CG-CD2 4.34Å; K196-W212 HydrophobicContact CG-CZ2 4.33Å; K196-W225 HydrophobicContact CD-CH2 4.43Å; K196-W225 HydrophobicContact CD-CZ2 3.65Å
197	T	97.8	Very high	97.1	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.38	30%	0.303	S	S	.	.			trans	-134.3	155.8	178.9	63.6	0	0	0	0	110.8	W191 D192 Y203	W191-T197 WeakPolarHBondContact CA-O 3.47Å; W191-T197 VanDerWaalsContact CE3-O 3.27Å; D192-T197 PolarHBondContact N-O 2.97Å; D192-T197 WeakPolarHBondContact OD2-CA 3.33Å; D192-T197 WeakPolarHBondContact OD2-CB 3.37Å; D192-T197 PolarHBondContact OD2-N 3.39Å; D192-T197 PolarHBondContact OD2-OG1 3.47Å; T197-Y203 VanDerWaalsContact CA-OH 3.23Å; T197-Y203 WeakPolarHBondContact CA-OH 3.46Å; T197-Y203 WeakPolarHBondContact CB-OH 3.5Å
198	N	98	Very high	97.1	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-127.1	152.4	170.4	60.4	63.3	0	0	0	111.1	L189 E190 W191 Q200 Q201 C202 Y203	L189-N198 HydrophobicContact CB-CB 4.42Å; E190-N198 WeakPolarHBondContact O-CA 3.5Å; E190-N198 VanDerWaalsContact O-CB 3.31Å; E190-N198 WeakPolarHBondContact O-CB 3.5Å; W191-N198 HydrophobicContact CD2-CB 3.97Å; W191-N198 HydrophobicContact CE3-CB 4.15Å; W191-N198 HydrophobicContact CG-CB 4.32Å; W191-N198 VanDerWaalsContact CH2-ND2 3.29Å; W191-N198 WeakPolarHBondContact CH2-ND2 3.34Å; W191-N198 HydrophobicContact CZ2-CB 4.47Å; W191-N198 VanDerWaalsContact CZ2-ND2 3.26Å; W191-N198 WeakPolarHBondContact CZ2-ND2 3.35Å; W191-N198 HydrophobicContact CZ3-CB 4.48Å; N198-Q200 VanDerWaalsContact C-N 3.27Å; N198-Q200 PolarHBondContact O-N 2.99Å; N198-Q201 PolarHBondContact O-N 2.91Å; N198-Q201 VanDerWaalsContact O-N 3.12Å; N198-Q201 PolarHBondContact OD1-N 3.18Å; N198-C202 PolarHBondContact ND2-O 3.4Å; N198-C202 PolarHBondContact OD1-N 2.84Å; N198-Y203 PolarHBondContact N-OH 3.1Å; N198-Y203 WeakPolarHBondContact ND2-CE1 3.31Å
199	V	96.4	Very high	97.1	Very high	104 Å²	104	42.9 Å²	42.9	63%	0.63	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.4	-173.7	-48.8	0	0	0	0	112.6	E190 Q201	E190-V199 HydrophobicContact CB-CG1 4.43Å; E190-V199 HydrophobicContact CB-CG2 4Å; E190-V199 PolarHBondContact O-N 2.87Å; E190-V199 VanDerWaalsContact O-N 3.13Å; V199-Q201 PolarHBondContact O-N 2.92Å
200	Q	96.1	Very high	97.1	Very high	57 Å²	57	42.3 Å²	42.3	27%	0.266	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.1	175.1	-66.5	71.2	21.7	0	0	113.2	K91 D188 L189 E190 N198 C202	K91-Q200 WeakPolarHBondContact CE-O 3.33Å; D188-Q200 PolarHBondContact O-NE2 3.09Å; D188-Q200 VanDerWaalsContact O-NE2 3.11Å; L189-Q200 HydrophobicContact CD2-CB 3.96Å; L189-Q200 HydrophobicContact CD2-CG 4.12Å; E190-Q200 PolarHBondContact OE1-NE2 3.36Å; N198-Q200 VanDerWaalsContact C-N 3.27Å; N198-Q200 PolarHBondContact O-N 2.99Å; Q200-C202 HydrophobicContact CB-CB 4.04Å; Q200-C202 PolarHBondContact O-N 2.72Å
201	Q	96.8	Very high	97.1	Very high	98 Å²	98	39 Å²	39	46%	0.458	23%	0.233	S	C	.	.			trans	46.6	46.6	-170.9	-58.9	-167.8	-38.3	0	0	112.5	L89 K91 N198 V199 Y203 G208 P209	L89-Q201 HydrophobicContact CD1-CB 4.03Å; K91-Q201 WeakPolarHBondContact CE-O 3.42Å; K91-Q201 PolarHBondContact NZ-O 2.86Å; N198-Q201 PolarHBondContact O-N 2.91Å; N198-Q201 VanDerWaalsContact O-N 3.12Å; N198-Q201 PolarHBondContact OD1-N 3.18Å; V199-Q201 PolarHBondContact O-N 2.92Å; Q201-Y203 HydrophobicContact CB-CE2 4.38Å; Q201-G208 CarbonylContact O-C 3.58Å; Q201-P209 WeakPolarHBondContact O-CA 3.45Å
202	C	98	Very high	97	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.068	23%	0.231	C	C	.	.			trans	-119.8	112.9	-172.6	-166.2	0	0	0	0	111.1	Y184 L189 N198 Q200 Q224	Y184-C202 WeakPolarHBondContact CD1-SG 3.08Å; L189-C202 HydrophobicContact CD2-CB 3.82Å; N198-C202 PolarHBondContact ND2-O 3.4Å; N198-C202 PolarHBondContact OD1-N 2.84Å; Q200-C202 HydrophobicContact CB-CB 4.04Å; Q200-C202 PolarHBondContact O-N 2.72Å; C202-Q224 PolarHBondContact O-NE2 3.05Å; C202-Q224 VanDerWaalsContact O-NE2 3.16Å
203	Y	98.4	Very high	97	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-137.2	169.2	-172.9	-49.8	-87.5	0	0	0	112.3	W191 T197 N198 Q201 G207 G208 G210 M216 W225	W191-Y203 AromaticContact CH2-CD1 3.9Å; W191-Y203 HydrophobicContact CH2-CD1 3.9Å; W191-Y203 AromaticContact CH2-CE1 3.83Å; W191-Y203 HydrophobicContact CH2-CE1 3.83Å; W191-Y203 HydrophobicContact CZ3-CD1 4.39Å; W191-Y203 AromaticContact CZ3-CE1 3.9Å; W191-Y203 HydrophobicContact CZ3-CE1 3.9Å; T197-Y203 VanDerWaalsContact CA-OH 3.23Å; T197-Y203 WeakPolarHBondContact CA-OH 3.46Å; T197-Y203 WeakPolarHBondContact CB-OH 3.5Å; N198-Y203 PolarHBondContact N-OH 3.1Å; N198-Y203 WeakPolarHBondContact ND2-CE1 3.31Å; Q201-Y203 HydrophobicContact CB-CE2 4.38Å; Y203-G207 WeakPolarHBondContact O-CA 3.14Å; Y203-G207 PolarHBondContact O-N 3.22Å; Y203-G207 VanDerWaalsContact O-N 3.1Å; Y203-G208 WeakPolarHBondContact CD2-O 3.49Å; Y203-G208 PolarHBondContact N-O 3.39Å; Y203-G208 PolarHBondContact O-N 3.46Å; Y203-G210 VanDerWaalsContact CD2-N 3.26Å; Y203-G210 WeakPolarHBondContact CE2-O 3.24Å; Y203-M216 HydrophobicContact CG-CE 4.4Å; Y203-W225 HydrophobicContact CD1-CB 4.37Å
204	C	98.5	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-168	172	-163.7	0	0	0	0	114.2	Y184 C206 W225 F226 H227 C230	Y184-C204 VanDerWaalsContact CE1-O 3.23Å; Y184-C204 WeakPolarHBondContact CE1-O 3.41Å; Y184-C204 PolarHBondContact OH-O 2.86Å; C204-C206 VanDerWaalsContact C-N 3.28Å; C204-W225 WeakPolarHBondContact CA-O 3.23Å; C204-W225 PolarHBondContact N-O 3.44Å; C204-F226 HydrophobicContact CB-CB 4.48Å; C204-F226 HydrophobicContact CB-CD1 4.25Å; C204-F226 VanDerWaalsContact SG-CA 3.57Å; C204-H227 WeakPolarHBondContact CB-ND1 3.27Å; C204-H227 PolarHBondContact SG-N 3.29Å; C204-H227 PolarHBondContact SG-ND1 2.81Å; C204-H227 VanDerWaalsContact SG-ND1 3.45Å; C204-C230 WeakPolarHBondContact SG-CB 3.17Å
205	Y	98.3	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15	174.3	-45.5	-72.6	0	0	0	113.1	R152 K179 L182 P183 F226 C230 V231 C249 S250 V251 E257	R152-Y205 PolarHBondContact NH2-O 2.96Å; K179-Y205 HydrophobicContact CB-CD1 3.79Å; K179-Y205 HydrophobicContact CB-CD2 4.02Å; K179-Y205 HydrophobicContact CB-CE1 4.26Å; K179-Y205 HydrophobicContact CB-CE2 4.47Å; K179-Y205 HydrophobicContact CB-CG 3.64Å; K179-Y205 HydrophobicContact CD-CD2 4.03Å; K179-Y205 HydrophobicContact CD-CE1 4.45Å; K179-Y205 HydrophobicContact CD-CE2 3.78Å; K179-Y205 HydrophobicContact CD-CG 4.46Å; K179-Y205 HydrophobicContact CG-CD1 4.23Å; K179-Y205 HydrophobicContact CG-CD2 4.39Å; K179-Y205 HydrophobicContact CG-CE1 4.19Å; K179-Y205 HydrophobicContact CG-CE2 4.35Å; K179-Y205 HydrophobicContact CG-CG 4.32Å; K179-Y205 WeakPolarHBondContact O-CD1 3.45Å; K179-Y205 WeakPolarHBondContact O-CE1 3.4Å; L182-Y205 HydrophobicContact CD2-CD1 4.3Å; P183-Y205 WeakPolarHBondContact CD-O 3.31Å; Y205-F226 AromaticContact CD1-CD1 3.79Å; Y205-F226 HydrophobicContact CD1-CD1 3.79Å; Y205-F226 AromaticContact CD1-CE1 3.47Å; Y205-F226 HydrophobicContact CD1-CE1 3.47Å; Y205-F226 VanDerWaalsContact CD1-CE1 3.47Å; Y205-F226 AromaticContact CD2-CD1 3.8Å; Y205-F226 HydrophobicContact CD2-CD1 3.8Å; Y205-F226 HydrophobicContact CD2-CE1 4.34Å; Y205-F226 AromaticContact CE1-CD1 3.65Å; Y205-F226 HydrophobicContact CE1-CD1 3.65Å; Y205-F226 AromaticContact CE1-CE1 3.41Å; Y205-F226 HydrophobicContact CE1-CE1 3.41Å; Y205-F226 VanDerWaalsContact CE1-CE1 3.41Å; Y205-F226 HydrophobicContact CE1-CZ 4.41Å; Y205-F226 AromaticContact CE2-CD1 3.66Å; Y205-F226 HydrophobicContact CE2-CD1 3.66Å; Y205-F226 HydrophobicContact CE2-CE1 4.3Å; Y205-F226 AromaticContact CG-CD1 3.87Å; Y205-F226 HydrophobicContact CG-CD1 3.87Å; Y205-F226 AromaticContact CG-CE1 3.97Å; Y205-F226 HydrophobicContact CG-CE1 3.97Å; Y205-F226 AromaticContact CZ-CD1 3.6Å; Y205-F226 AromaticContact CZ-CE1 3.87Å; Y205-C230 HydrophobicContact CD2-CB 4.2Å; Y205-V231 HydrophobicContact CE2-CG1 4.26Å; Y205-C249 HydrophobicContact CE1-CB 3.87Å; Y205-C249 WeakPolarHBondContact OH-CA 3.48Å; Y205-C249 WeakPolarHBondContact OH-CB 3.41Å; Y205-S250 PolarHBondContact OH-N 3.17Å; Y205-V251 HydrophobicContact CD1-CG2 4.13Å; Y205-V251 HydrophobicContact CE1-CG2 4.13Å; Y205-E257 WeakPolarHBondContact CE2-OE1 3.44Å; Y205-E257 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E257 VanDerWaalsContact OH-CG 3.32Å; Y205-E257 WeakPolarHBondContact OH-CG 3.1Å; Y205-E257 PolarHBondContact OH-OE1 3.15Å
206	C	96.6	Very high	97.3	Very high	10 Å²	10	34.2 Å²	34.2	7%	0.068	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.6	-175.5	60	0	0	0	0	114.1	F156 C204 G208	F156-C206 HydrophobicContact CD1-CB 3.96Å; F156-C206 HydrophobicContact CE1-CB 3.83Å; C204-C206 VanDerWaalsContact C-N 3.28Å; C206-G208 PolarHBondContact O-N 3.2Å; C206-G208 PolarHBondContact SG-N 3.13Å; C206-G208 VanDerWaalsContact SG-N 3.43Å
207	G	96.5	Very high	97.4	Very high	8 Å²	8	32.4 Å²	32.4	8%	0.082	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	9.2	-172.4	0	0	0	0	0	114.1	K91 Y203	K91-G207 PolarHBondContact NZ-O 3.01Å; Y203-G207 WeakPolarHBondContact O-CA 3.14Å; Y203-G207 PolarHBondContact O-N 3.22Å; Y203-G207 VanDerWaalsContact O-N 3.1Å
208	G	95.9	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-78.2	172	-176	0	0	0	0	0	114.6	R55 D92 Q201 Y203 C206	R55-G208 VanDerWaalsContact CD-CA 3.48Å; D92-G208 WeakPolarHBondContact OD1-CA 3.13Å; Q201-G208 CarbonylContact O-C 3.58Å; Y203-G208 WeakPolarHBondContact CD2-O 3.49Å; Y203-G208 PolarHBondContact N-O 3.39Å; Y203-G208 PolarHBondContact O-N 3.46Å; C206-G208 PolarHBondContact O-N 3.2Å; C206-G208 PolarHBondContact SG-N 3.13Å; C206-G208 VanDerWaalsContact SG-N 3.43Å
209	P	97.3	Very high	97.4	Very high	22 Å²	22	31.4 Å²	31.4	14%	0.143	16%	0.159	C	C	.	.			trans	-69.2	165	169.9	33.6	-36.2	0	0	0	110.1	D92 Q201 H227	D92-P209 VanDerWaalsContact CG-CD 3.49Å; D92-P209 VanDerWaalsContact OD1-CD 3.24Å; D92-P209 WeakPolarHBondContact OD1-CD 3.39Å; Q201-P209 WeakPolarHBondContact O-CA 3.45Å; P209-H227 PolarHBondContact O-CE1 2.69Å; P209-H227 VanDerWaalsContact O-CE1 3.28Å; P209-H227 PolarHBondContact O-NE2 2.76Å
210	G	97.3	Very high	97.4	Very high	8 Å²	8	27.8 Å²	27.8	8%	0.082	14%	0.138	C	C	.	.			trans	-170.5	137.3	-176.4	0	0	0	0	0	112.3	Y203	Y203-G210 VanDerWaalsContact CD2-N 3.26Å; Y203-G210 WeakPolarHBondContact CE2-O 3.24Å
211	D	97.3	Very high	97.5	Very high	55 Å²	55	31.1 Å²	31.1	29%	0.294	15%	0.152	S	C	.	.			trans	-101.8	109.7	171.9	-60.5	-73.9	0	0	0	108.1	S57 Y213 L214	S57-D211 WeakPolarHBondContact CB-OD2 3.24Å; S57-D211 PolarHBondContact OG-OD2 2.79Å; D211-Y213 HydrophobicContact CB-CE1 4.41Å; D211-Y213 PolarHBondContact O-N 2.93Å; D211-L214 HydrophobicContact CB-CB 3.95Å; D211-L214 HydrophobicContact CB-CD1 3.84Å; D211-L214 HydrophobicContact CB-CG 3.82Å; D211-L214 WeakPolarHBondContact O-CA 3.4Å; D211-L214 PolarHBondContact O-N 3.11Å
212	W	97.6	Very high	97.5	Very high	48 Å²	48	29 Å²	29	18%	0.182	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.6	-170.9	67.1	-91.1	0	0	0	115.2	K196 W225 P351	K196-W212 HydrophobicContact CB-CD2 4.37Å; K196-W212 HydrophobicContact CB-CG 4.08Å; K196-W212 HydrophobicContact CD-CD2 3.7Å; K196-W212 HydrophobicContact CD-CE3 3.98Å; K196-W212 HydrophobicContact CD-CG 4.08Å; K196-W212 HydrophobicContact CD-CH2 4.39Å; K196-W212 HydrophobicContact CD-CZ2 4.15Å; K196-W212 HydrophobicContact CD-CZ3 4.32Å; K196-W212 HydrophobicContact CG-CD2 4.34Å; K196-W212 HydrophobicContact CG-CZ2 4.33Å; W212-W225 HydrophobicContact CB-CD2 3.65Å; W212-W225 HydrophobicContact CB-CE3 3.74Å; W212-W225 HydrophobicContact CB-CG 4.25Å; W212-W225 HydrophobicContact CB-CH2 4.03Å; W212-W225 HydrophobicContact CB-CZ2 3.97Å; W212-W225 HydrophobicContact CB-CZ3 3.92Å; W212-W225 HydrophobicContact CD2-CH2 4.34Å; W212-W225 HydrophobicContact CD2-CZ2 4.49Å; W212-W225 AromaticContact CE3-CH2 3.67Å; W212-W225 HydrophobicContact CE3-CH2 3.67Å; W212-W225 HydrophobicContact CE3-CZ2 4.19Å; W212-W225 HydrophobicContact CE3-CZ3 4.19Å; W212-W225 HydrophobicContact CG-CZ2 4.46Å; W212-W225 VanDerWaalsContact O-CZ3 3.3Å; W212-W225 WeakPolarHBondContact O-CZ3 3.42Å; W212-P351 HydrophobicContact CH2-CG 3.73Å; W212-P351 HydrophobicContact CZ3-CB 4.42Å; W212-P351 HydrophobicContact CZ3-CG 3.78Å
213	Y	96.6	Very high	97.5	Very high	78 Å²	78	33.4 Å²	33.4	31%	0.306	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-9.9	177.3	59.4	-91.2	0	0	0	113.6	D211 K215 F240 G241 Y275	D211-Y213 HydrophobicContact CB-CE1 4.41Å; D211-Y213 PolarHBondContact O-N 2.93Å; Y213-K215 PolarHBondContact O-N 3.36Å; Y213-F240 CarbonylContact O-C 3.33Å; Y213-F240 WeakPolarHBondContact O-CA 3.31Å; Y213-G241 PolarHBondContact O-N 2.81Å; Y213-Y275 WeakPolarHBondContact CB-OH 3.48Å; Y213-Y275 WeakPolarHBondContact CD2-OH 3.48Å
214	L	96.9	Very high	97.5	Very high	47 Å²	47	33.4 Å²	33.4	25%	0.246	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	82.1	174.9	-56.3	-177.4	0	0	0	110.7	D211 M216 F240 V279	D211-L214 HydrophobicContact CB-CB 3.95Å; D211-L214 HydrophobicContact CB-CD1 3.84Å; D211-L214 HydrophobicContact CB-CG 3.82Å; D211-L214 WeakPolarHBondContact O-CA 3.4Å; D211-L214 PolarHBondContact O-N 3.11Å; L214-M216 PolarHBondContact O-N 3Å; L214-F240 HydrophobicContact CB-CD1 4.39Å; L214-F240 HydrophobicContact CB-CE1 4.48Å; L214-F240 HydrophobicContact CD2-CD1 3.6Å; L214-F240 HydrophobicContact CD2-CE1 3.86Å; L214-F240 HydrophobicContact CD2-CG 4.14Å; L214-V279 HydrophobicContact CD2-CG1 4.02Å
215	K	97.7	Very high	97.5	Very high	49 Å²	49	33.4 Å²	33.4	21%	0.213	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	46	169.8	-59.1	166.4	147.5	-68.2	0	113.5	Y213 E228 M238 F240	Y213-K215 PolarHBondContact O-N 3.36Å; K215-E228 HydrophobicContact CB-CB 3.9Å; K215-E228 WeakPolarHBondContact CD-OE2 3.13Å; K215-E228 WeakPolarHBondContact CE-OE2 3.49Å; K215-E228 IonicContact NZ-OE1 3.75Å; K215-E228 PolarHBondContact NZ-OE1 3.05Å; K215-E228 IonicContact NZ-OE2 3.8Å; K215-E228 PolarHBondContact NZ-OE2 2.91Å; K215-E228 WeakPolarHBondContact O-CB 3.45Å; K215-E228 PolarHBondContact O-N 2.69Å; K215-M238 HydrophobicContact CB-CB 4.3Å; K215-M238 HydrophobicContact CG-CB 4.26Å; K215-M238 PolarHBondContact NZ-O 3.4Å; K215-F240 HydrophobicContact CD-CD1 4.41Å; K215-F240 HydrophobicContact CD-CE1 3.87Å; K215-F240 HydrophobicContact CG-CD1 3.92Å; K215-F240 HydrophobicContact CG-CE1 3.89Å
216	M	98.6	Very high	97.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.1	172.2	-56.9	-170.1	80.5	0	0	111.6	Y203 L214 W225 F226	Y203-M216 HydrophobicContact CG-CE 4.4Å; L214-M216 PolarHBondContact O-N 3Å; M216-W225 HydrophobicContact CB-CB 4.41Å; M216-W225 HydrophobicContact CB-CE3 3.91Å; M216-W225 HydrophobicContact CE-CB 3.83Å; M216-W225 HydrophobicContact SD-CB 4.3Å; M216-F226 CarbonylContact C-O 3.59Å; M216-F226 VanDerWaalsContact CA-O 3.25Å; M216-F226 WeakPolarHBondContact CA-O 3.4Å
217	L	98.4	Very high	97.6	Very high	5 Å²	5	33 Å²	33	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133	172.4	-68.7	170.2	0	0	0	110.3	W225 F226 V231 L234 M238 Y245 F247 L259	L217-W225 CarbonylContact O-C 3.4Å; L217-W225 WeakPolarHBondContact O-CA 3.48Å; L217-F226 PolarHBondContact N-O 2.85Å; L217-F226 PolarHBondContact O-N 3.38Å; L217-V231 HydrophobicContact CD1-CG2 4.25Å; L217-L234 HydrophobicContact CD1-CD2 4.38Å; L217-L234 HydrophobicContact CD1-CG 4.45Å; L217-M238 HydrophobicContact CD1-SD 4.46Å; L217-M238 HydrophobicContact CD2-CE 3.52Å; L217-M238 HydrophobicContact CD2-SD 4.02Å; L217-M238 HydrophobicContact CG-CE 3.84Å; L217-M238 HydrophobicContact CG-SD 3.77Å; L217-Y245 HydrophobicContact CD2-CD2 3.54Å; L217-Y245 HydrophobicContact CD2-CE2 4.14Å; L217-Y245 HydrophobicContact CD2-CG 3.78Å; L217-F247 HydrophobicContact CB-CB 4.27Å; L217-F247 HydrophobicContact CB-CD1 3.61Å; L217-F247 HydrophobicContact CB-CE1 4.05Å; L217-F247 HydrophobicContact CB-CG 3.91Å; L217-F247 HydrophobicContact CD1-CB 4.47Å; L217-F247 HydrophobicContact CD1-CD1 4.4Å; L217-F247 HydrophobicContact CD1-CD2 3.88Å; L217-F247 HydrophobicContact CD1-CE2 4.18Å; L217-F247 HydrophobicContact CD1-CG 4Å; L217-F247 HydrophobicContact CG-CG 4.49Å; L217-L259 HydrophobicContact CD1-CD1 3.93Å; L217-L259 HydrophobicContact CD2-CD1 4.31Å
218	Q	98.5	Very high	97.7	Very high	49 Å²	49	33.2 Å²	33.2	23%	0.229	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.1	171.3	-160.6	171.6	23	0	0	110.4	H195 C220 K223 W225	H195-Q218 PolarHBondContact O-NE2 3.1Å; Q218-C220 PolarHBondContact O-N 2.89Å; Q218-K223 WeakPolarHBondContact CG-O 3.45Å; Q218-K223 PolarHBondContact NE2-O 3.15Å; Q218-W225 HydrophobicContact CB-CD2 3.92Å; Q218-W225 HydrophobicContact CB-CE3 3.87Å; Q218-W225 HydrophobicContact CB-CH2 3.84Å; Q218-W225 HydrophobicContact CB-CZ2 3.85Å; Q218-W225 HydrophobicContact CB-CZ3 3.85Å; Q218-W225 HydrophobicContact CG-CD2 4.02Å; Q218-W225 HydrophobicContact CG-CE3 4.48Å; Q218-W225 HydrophobicContact CG-CG 4.47Å; Q218-W225 HydrophobicContact CG-CH2 4.38Å; Q218-W225 HydrophobicContact CG-CZ2 3.87Å
219	C	98.4	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-70.9	125.5	174.1	179.6	0	0	0	0	110.2	K221 C222 K223 Q224 F226 F247 C249	C219-K221 PolarHBondContact O-N 2.88Å; C219-C222 VanDerWaalsContact SG-SG 3.64Å; C219-K223 VanDerWaalsContact O-CA 3.22Å; C219-K223 WeakPolarHBondContact O-CA 3.33Å; C219-K223 PolarHBondContact O-N 3.42Å; C219-Q224 PolarHBondContact N-O 3.45Å; C219-F226 HydrophobicContact CB-CD2 4.2Å; C219-F226 HydrophobicContact CB-CE2 3.73Å; C219-F247 HydrophobicContact CB-CD1 4.28Å; C219-F247 HydrophobicContact CB-CE1 4.44Å; C219-C249 HydrophobicContact CB-CB 4.22Å; C219-C249 PolarHBondContact SG-N 3.14Å
220	C	96.7	Very high	97.9	Very high	28 Å²	28	32.3 Å²	32.3	19%	0.189	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.7	-177	71	0	0	0	0	113.3	Q218 K223 F247 F359	Q218-C220 PolarHBondContact O-N 2.89Å; C220-K223 PolarHBondContact O-NZ 3.28Å; C220-F247 PolarHBondContact N-O 3.24Å; C220-F247 PolarHBondContact SG-O 3.1Å; C220-F247 VanDerWaalsContact SG-O 3.37Å; C220-F359 HydrophobicContact CB-CE2 4.17Å; C220-F359 HydrophobicContact CB-CZ 4.38Å
221	K	97	Very high	97.9	Very high	126 Å²	126	31.9 Å²	31.9	55%	0.548	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-77.6	175.1	-59.3	-68.9	-173.2	171	0	111.1	C219 K223 I248 C252	C219-K221 PolarHBondContact O-N 2.88Å; K221-K223 PolarHBondContact O-N 3.43Å; K221-I248 HydrophobicContact CG-CG2 4.14Å; K221-C252 HydrophobicContact CB-CB 3.96Å; K221-C252 HydrophobicContact CG-CB 4.21Å
222	C	97.6	Very high	98	Very high	55 Å²	55	30.1 Å²	30.1	37%	0.372	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.7	-173	65	0	0	0	0	116.1	C219 Q224	C219-C222 VanDerWaalsContact SG-SG 3.64Å; C222-Q224 PolarHBondContact O-N 2.91Å
223	K	97.9	Very high	98	Very high	102 Å²	102	28.7 Å²	28.7	44%	0.443	14%	0.139	S	C	.	.			trans	62.3	-10.9	177.6	-46.8	-53.3	-176.1	-172.2	0	117.2	H195 Q218 C219 C220 K221	H195-K223 VanDerWaalsContact CD2-CB 3.46Å; H195-K223 WeakPolarHBondContact CD2-CB 3.48Å; H195-K223 PolarHBondContact CD2-O 3.45Å; H195-K223 VanDerWaalsContact CD2-O 3.26Å; H195-K223 VanDerWaalsContact NE2-CB 3.32Å; H195-K223 WeakPolarHBondContact NE2-CB 3.26Å; H195-K223 PolarHBondContact NE2-O 2.78Å; Q218-K223 WeakPolarHBondContact CG-O 3.45Å; Q218-K223 PolarHBondContact NE2-O 3.15Å; C219-K223 VanDerWaalsContact O-CA 3.22Å; C219-K223 WeakPolarHBondContact O-CA 3.33Å; C219-K223 PolarHBondContact O-N 3.42Å; C220-K223 PolarHBondContact O-NZ 3.28Å; K221-K223 PolarHBondContact O-N 3.43Å
224	Q	98.4	Very high	97.9	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.028	13%	0.126	C	C	.	.			trans	-55.6	151.1	167.7	178.3	59.3	-74.8	0	0	111.8	Y184 W191 C202 C219 C222 F226	Y184-Q224 PolarHBondContact OH-NE2 3.11Å; W191-Q224 VanDerWaalsContact CH2-OE1 3.3Å; C202-Q224 PolarHBondContact O-NE2 3.05Å; C202-Q224 VanDerWaalsContact O-NE2 3.16Å; C219-Q224 PolarHBondContact N-O 3.45Å; C222-Q224 PolarHBondContact O-N 2.91Å; Q224-F226 HydrophobicContact CB-CE2 3.75Å; Q224-F226 HydrophobicContact CB-CZ 4.01Å; Q224-F226 HydrophobicContact CG-CD2 4.47Å; Q224-F226 HydrophobicContact CG-CE1 4.44Å; Q224-F226 HydrophobicContact CG-CE2 3.7Å; Q224-F226 HydrophobicContact CG-CZ 3.66Å; Q224-F226 WeakPolarHBondContact O-CD2 3.33Å; Q224-F226 VanDerWaalsContact O-CE2 3.26Å; Q224-F226 WeakPolarHBondContact O-CE2 3.29Å
225	W	98.6	Very high	97.7	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.9	-179.7	-67.1	84.8	0	0	0	111.6	W191 H195 K196 Y203 C204 W212 M216 L217 Q218	W191-W225 AromaticContact CH2-CD1 3.97Å; W191-W225 AromaticContact CZ3-CD1 3.88Å; H195-W225 PolarHBondContact O-NE1 3.27Å; K196-W225 HydrophobicContact CD-CH2 4.43Å; K196-W225 HydrophobicContact CD-CZ2 3.65Å; Y203-W225 HydrophobicContact CD1-CB 4.37Å; C204-W225 WeakPolarHBondContact CA-O 3.23Å; C204-W225 PolarHBondContact N-O 3.44Å; W212-W225 HydrophobicContact CB-CD2 3.65Å; W212-W225 HydrophobicContact CB-CE3 3.74Å; W212-W225 HydrophobicContact CB-CG 4.25Å; W212-W225 HydrophobicContact CB-CH2 4.03Å; W212-W225 HydrophobicContact CB-CZ2 3.97Å; W212-W225 HydrophobicContact CB-CZ3 3.92Å; W212-W225 HydrophobicContact CD2-CH2 4.34Å; W212-W225 HydrophobicContact CD2-CZ2 4.49Å; W212-W225 AromaticContact CE3-CH2 3.67Å; W212-W225 HydrophobicContact CE3-CH2 3.67Å; W212-W225 HydrophobicContact CE3-CZ2 4.19Å; W212-W225 HydrophobicContact CE3-CZ3 4.19Å; W212-W225 HydrophobicContact CG-CZ2 4.46Å; W212-W225 VanDerWaalsContact O-CZ3 3.3Å; W212-W225 WeakPolarHBondContact O-CZ3 3.42Å; M216-W225 HydrophobicContact CB-CB 4.41Å; M216-W225 HydrophobicContact CB-CE3 3.91Å; M216-W225 HydrophobicContact CE-CB 3.83Å; M216-W225 HydrophobicContact SD-CB 4.3Å; L217-W225 CarbonylContact O-C 3.4Å; L217-W225 WeakPolarHBondContact O-CA 3.48Å; Q218-W225 HydrophobicContact CB-CD2 3.92Å; Q218-W225 HydrophobicContact CB-CE3 3.87Å; Q218-W225 HydrophobicContact CB-CH2 3.84Å; Q218-W225 HydrophobicContact CB-CZ2 3.85Å; Q218-W225 HydrophobicContact CB-CZ3 3.85Å; Q218-W225 HydrophobicContact CG-CD2 4.02Å; Q218-W225 HydrophobicContact CG-CE3 4.48Å; Q218-W225 HydrophobicContact CG-CG 4.47Å; Q218-W225 HydrophobicContact CG-CH2 4.38Å; Q218-W225 HydrophobicContact CG-CZ2 3.87Å
226	F	98.8	Very high	97.6	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128.7	-174	-63	-97.3	0	0	0	111.3	C204 Y205 M216 L217 C219 Q224 V231 F247 C249	C204-F226 HydrophobicContact CB-CB 4.48Å; C204-F226 HydrophobicContact CB-CD1 4.25Å; C204-F226 VanDerWaalsContact SG-CA 3.57Å; Y205-F226 AromaticContact CD1-CD1 3.79Å; Y205-F226 HydrophobicContact CD1-CD1 3.79Å; Y205-F226 AromaticContact CD1-CE1 3.47Å; Y205-F226 HydrophobicContact CD1-CE1 3.47Å; Y205-F226 VanDerWaalsContact CD1-CE1 3.47Å; Y205-F226 AromaticContact CD2-CD1 3.8Å; Y205-F226 HydrophobicContact CD2-CD1 3.8Å; Y205-F226 HydrophobicContact CD2-CE1 4.34Å; Y205-F226 AromaticContact CE1-CD1 3.65Å; Y205-F226 HydrophobicContact CE1-CD1 3.65Å; Y205-F226 AromaticContact CE1-CE1 3.41Å; Y205-F226 HydrophobicContact CE1-CE1 3.41Å; Y205-F226 VanDerWaalsContact CE1-CE1 3.41Å; Y205-F226 HydrophobicContact CE1-CZ 4.41Å; Y205-F226 AromaticContact CE2-CD1 3.66Å; Y205-F226 HydrophobicContact CE2-CD1 3.66Å; Y205-F226 HydrophobicContact CE2-CE1 4.3Å; Y205-F226 AromaticContact CG-CD1 3.87Å; Y205-F226 HydrophobicContact CG-CD1 3.87Å; Y205-F226 AromaticContact CG-CE1 3.97Å; Y205-F226 HydrophobicContact CG-CE1 3.97Å; Y205-F226 AromaticContact CZ-CD1 3.6Å; Y205-F226 AromaticContact CZ-CE1 3.87Å; M216-F226 CarbonylContact C-O 3.59Å; M216-F226 VanDerWaalsContact CA-O 3.25Å; M216-F226 WeakPolarHBondContact CA-O 3.4Å; L217-F226 PolarHBondContact N-O 2.85Å; L217-F226 PolarHBondContact O-N 3.38Å; C219-F226 HydrophobicContact CB-CD2 4.2Å; C219-F226 HydrophobicContact CB-CE2 3.73Å; Q224-F226 HydrophobicContact CB-CE2 3.75Å; Q224-F226 HydrophobicContact CB-CZ 4.01Å; Q224-F226 HydrophobicContact CG-CD2 4.47Å; Q224-F226 HydrophobicContact CG-CE1 4.44Å; Q224-F226 HydrophobicContact CG-CE2 3.7Å; Q224-F226 HydrophobicContact CG-CZ 3.66Å; Q224-F226 WeakPolarHBondContact O-CD2 3.33Å; Q224-F226 VanDerWaalsContact O-CE2 3.26Å; Q224-F226 WeakPolarHBondContact O-CE2 3.29Å; F226-V231 HydrophobicContact CB-CG1 4.15Å; F226-F247 HydrophobicContact CB-CE1 3.94Å; F226-F247 HydrophobicContact CB-CZ 4.33Å; F226-F247 AromaticContact CD2-CE1 3.71Å; F226-F247 HydrophobicContact CD2-CE1 3.71Å; F226-F247 AromaticContact CG-CE1 3.91Å; F226-F247 HydrophobicContact CG-CE1 3.91Å; F226-F247 HydrophobicContact CG-CZ 4.42Å; F226-C249 HydrophobicContact CD1-CB 4.13Å; F226-C249 HydrophobicContact CD2-CB 4.04Å; F226-C249 HydrophobicContact CE1-CB 3.79Å; F226-C249 HydrophobicContact CE2-CB 3.66Å; F226-C249 HydrophobicContact CG-CB 4.28Å; F226-C249 HydrophobicContact CZ-CB 3.55Å; F226-C249 WeakPolarHBondContact CZ-SG 3.34Å
227	H	98.8	Very high	97.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	142.4	-178.4	-53.1	97.3	0	0	0	113.2	S57 D58 C204 P209 A229 C230 V231	S57-H227 PolarHBondContact O-CD2 2.83Å; S57-H227 PolarHBondContact O-NE2 2.81Å; S57-H227 VanDerWaalsContact O-NE2 3.15Å; D58-H227 WeakPolarHBondContact O-CB 3.41Å; C204-H227 WeakPolarHBondContact CB-ND1 3.27Å; C204-H227 PolarHBondContact SG-N 3.29Å; C204-H227 PolarHBondContact SG-ND1 2.81Å; C204-H227 VanDerWaalsContact SG-ND1 3.45Å; P209-H227 PolarHBondContact O-CE1 2.69Å; P209-H227 VanDerWaalsContact O-CE1 3.28Å; P209-H227 PolarHBondContact O-NE2 2.76Å; H227-A229 PolarHBondContact O-N 2.64Å; H227-C230 HydrophobicContact CB-CB 4.32Å; H227-C230 PolarHBondContact O-N 3.06Å; H227-V231 PolarHBondContact O-N 3.28Å
228	E	98.4	Very high	97.4	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.051	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-44.2	-45.6	164.6	166	-177.7	-106.1	0	0	111.5	G163 G164 K215 C230 V231 L234 P237 M238	G163-E228 VanDerWaalsContact CA-CD 3.45Å; G163-E228 VanDerWaalsContact N-CD 3.31Å; G163-E228 PolarHBondContact N-OE2 3.26Å; G163-E228 VanDerWaalsContact N-OE2 3.12Å; G164-E228 WeakPolarHBondContact CA-O 3.4Å; K215-E228 HydrophobicContact CB-CB 3.9Å; K215-E228 WeakPolarHBondContact CD-OE2 3.13Å; K215-E228 WeakPolarHBondContact CE-OE2 3.49Å; K215-E228 IonicContact NZ-OE1 3.75Å; K215-E228 PolarHBondContact NZ-OE1 3.05Å; K215-E228 IonicContact NZ-OE2 3.8Å; K215-E228 PolarHBondContact NZ-OE2 2.91Å; K215-E228 WeakPolarHBondContact O-CB 3.45Å; K215-E228 PolarHBondContact O-N 2.69Å; E228-C230 PolarHBondContact O-N 2.91Å; E228-V231 WeakPolarHBondContact O-CG2 3.49Å; E228-L234 HydrophobicContact CB-CD1 4.06Å; E228-L234 HydrophobicContact CG-CD1 3.79Å; E228-P237 VanDerWaalsContact OE1-CA 3.26Å; E228-P237 WeakPolarHBondContact OE1-CA 3.46Å; E228-P237 WeakPolarHBondContact OE1-CB 3.5Å; E228-M238 HydrophobicContact CB-CG 4.43Å; E228-M238 HydrophobicContact CB-SD 4.13Å; E228-M238 PolarHBondContact OE1-N 2.8Å
229	A	98	Very high	97.3	Very high	3 Å²	3	32 Å²	32	3%	0.025	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-70	-16.4	-175	0	0	0	0	0	114.2	D58 L60 T160 K161 A165 H227	D58-A229 WeakPolarHBondContact O-CB 3.39Å; L60-A229 HydrophobicContact CD2-CB 3.85Å; L60-A229 HydrophobicContact CG-CB 4.05Å; T160-A229 WeakPolarHBondContact CA-O 3.38Å; T160-A229 WeakPolarHBondContact CB-O 3.37Å; T160-A229 WeakPolarHBondContact CG2-O 3.32Å; K161-A229 PolarHBondContact N-O 3.41Å; K161-A229 WeakPolarHBondContact O-CA 3.45Å; A165-A229 WeakPolarHBondContact CB-O 3.38Å; H227-A229 PolarHBondContact O-N 2.64Å
230	C	98.3	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-104.3	-14.5	-177	-67.5	0	0	0	0	114.1	T160 C204 Y205 H227 E228	T160-C230 HydrophobicContact CG2-CB 4.49Å; C204-C230 WeakPolarHBondContact SG-CB 3.17Å; Y205-C230 HydrophobicContact CD2-CB 4.2Å; H227-C230 HydrophobicContact CB-CB 4.32Å; H227-C230 PolarHBondContact O-N 3.06Å; E228-C230 PolarHBondContact O-N 2.91Å
231	V	98.3	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.			trans	-90.3	146.9	177.6	-60.9	0	0	0	0	111.5	A165 Y205 L217 F226 H227 E228 L234 F247 E257	A165-V231 WeakPolarHBondContact CB-O 3.07Å; A165-V231 PolarHBondContact N-O 3.44Å; Y205-V231 HydrophobicContact CE2-CG1 4.26Å; L217-V231 HydrophobicContact CD1-CG2 4.25Å; F226-V231 HydrophobicContact CB-CG1 4.15Å; H227-V231 PolarHBondContact O-N 3.28Å; E228-V231 WeakPolarHBondContact O-CG2 3.49Å; V231-L234 HydrophobicContact CG2-CB 4.46Å; V231-L234 HydrophobicContact CG2-CD1 3.49Å; V231-L234 VanDerWaalsContact CG2-CD1 3.49Å; V231-L234 HydrophobicContact CG2-CG 3.75Å; V231-F247 HydrophobicContact CG1-CE2 4.08Å; V231-F247 HydrophobicContact CG1-CZ 3.7Å; V231-E257 WeakPolarHBondContact CA-OE1 3.35Å; V231-E257 WeakPolarHBondContact CG1-OE1 3.49Å
232	Q	98.2	Very high	97.3	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.079	14%	0.137	C	C	.	.	S	Bend	trans	-107	-10.5	-178.6	-65.8	168.8	-77.8	0	0	112	A165 L166 K167 A172 L175 E257	A165-Q232 HydrophobicContact CB-CG 3.71Å; L166-Q232 PolarHBondContact O-NE2 2.61Å; K167-Q232 VanDerWaalsContact CD-O 3.29Å; K167-Q232 WeakPolarHBondContact CD-O 3.41Å; K167-Q232 WeakPolarHBondContact CE-O 3.39Å; K167-Q232 WeakPolarHBondContact CG-O 3.2Å; K167-Q232 PolarHBondContact NZ-O 2.99Å; A172-Q232 PolarHBondContact O-NE2 2.44Å; L175-Q232 HydrophobicContact CD2-CG 3.99Å; Q232-E257 PolarHBondContact N-OE2 3.18Å
233	C	97.1	Very high	97.3	Very high	19 Å²	19	27.7 Å²	27.7	13%	0.128	13%	0.132	C	C	.	.			trans	-74.8	-29.6	179	57	0	0	0	0	115.6	Q235 E257 L259	C233-Q235 PolarHBondContact O-N 3.19Å; C233-E257 HydrophobicContact CB-CB 3.8Å; C233-E257 PolarHBondContact N-OE2 3.29Å; C233-E257 VanDerWaalsContact N-OE2 3.15Å; C233-L259 HydrophobicContact CB-CB 3.79Å; C233-L259 HydrophobicContact CB-CD2 4.28Å
234	L	96	Very high	97.3	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.031	11%	0.11	C	C	.	.			trans	-60.1	129.2	-173.4	-79.4	171.4	0	0	0	113	K167 L217 E228 V231 M238 L259	K167-L234 VanDerWaalsContact CE-O 3.22Å; K167-L234 WeakPolarHBondContact CE-O 3.4Å; K167-L234 PolarHBondContact NZ-O 3.29Å; L217-L234 HydrophobicContact CD1-CD2 4.38Å; L217-L234 HydrophobicContact CD1-CG 4.45Å; E228-L234 HydrophobicContact CB-CD1 4.06Å; E228-L234 HydrophobicContact CG-CD1 3.79Å; V231-L234 HydrophobicContact CG2-CB 4.46Å; V231-L234 HydrophobicContact CG2-CD1 3.49Å; V231-L234 VanDerWaalsContact CG2-CD1 3.49Å; V231-L234 HydrophobicContact CG2-CG 3.75Å; L234-M238 HydrophobicContact CD1-CG 3.77Å; L234-M238 HydrophobicContact CD1-SD 4.08Å; L234-M238 HydrophobicContact CD2-CG 3.84Å; L234-M238 HydrophobicContact CD2-SD 4.48Å; L234-L259 HydrophobicContact CD2-CD2 3.82Å; L234-L259 HydrophobicContact CG-CD2 4.34Å
235	Q	92.9	Very high	97.2	Very high	159 Å²	159	23.8 Å²	23.8	74%	0.743	11%	0.114	S	C	*	.	S	Bend	trans	-93.4	-21.8	177.2	-54.1	-61	-2	0	0	113.5	C233	C233-Q235 PolarHBondContact O-N 3.19Å
236	K	94.1	Very high	97.1	Very high	77 Å²	77	24.5 Å²	24.5	34%	0.335	12%	0.118	S	C	.	.	S	Bend	trans	-141.8	151.7	177.5	-63.4	-178.4	179.4	168	0	108.3	D301	K236-D301 WeakPolarHBondContact CD-O 3.39Å; K236-D301 WeakPolarHBondContact CE-O 3.2Å; K236-D301 PolarHBondContact NZ-O 3.21Å
237	P	96.2	Very high	97.1	Very high	56 Å²	56	24.5 Å²	24.5	36%	0.364	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-61.1	141.5	178.4	-23.8	34.6	0	0	0	112.4	E228 R302	E228-P237 VanDerWaalsContact OE1-CA 3.26Å; E228-P237 WeakPolarHBondContact OE1-CA 3.46Å; E228-P237 WeakPolarHBondContact OE1-CB 3.5Å; P237-R302 VanDerWaalsContact O-CD 3.29Å; P237-R302 WeakPolarHBondContact O-CD 3.47Å; P237-R302 WeakPolarHBondContact O-CG 3.45Å
238	M	96.7	Very high	97.1	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-67.8	146.6	177.7	-65.2	-175.5	71.7	0	0	112.6	K215 L217 E228 L234 Y245	K215-M238 HydrophobicContact CB-CB 4.3Å; K215-M238 HydrophobicContact CG-CB 4.26Å; K215-M238 PolarHBondContact NZ-O 3.4Å; L217-M238 HydrophobicContact CD1-SD 4.46Å; L217-M238 HydrophobicContact CD2-CE 3.52Å; L217-M238 HydrophobicContact CD2-SD 4.02Å; L217-M238 HydrophobicContact CG-CE 3.84Å; L217-M238 HydrophobicContact CG-SD 3.77Å; E228-M238 HydrophobicContact CB-CG 4.43Å; E228-M238 HydrophobicContact CB-SD 4.13Å; E228-M238 PolarHBondContact OE1-N 2.8Å; L234-M238 HydrophobicContact CD1-CG 3.77Å; L234-M238 HydrophobicContact CD1-SD 4.08Å; L234-M238 HydrophobicContact CD2-CG 3.84Å; L234-M238 HydrophobicContact CD2-SD 4.48Å; M238-Y245 HydrophobicContact CE-CD2 4.45Å; M238-Y245 HydrophobicContact CE-CE2 4.1Å
239	L	97.3	Very high	97.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-82.9	155.4	162.3	-72.9	162.2	0	0	0	110.4	D242 L272 Y295 R302 L303	L239-D242 HydrophobicContact CB-CB 4Å; L239-D242 WeakPolarHBondContact O-CB 3.47Å; L239-D242 PolarHBondContact O-N 3.32Å; L239-L272 HydrophobicContact CB-CD1 4.43Å; L239-L272 HydrophobicContact CB-CD2 4.36Å; L239-L272 HydrophobicContact CB-CG 4.43Å; L239-L272 HydrophobicContact CD1-CD2 3.76Å; L239-L272 HydrophobicContact CD1-CG 4.23Å; L239-Y295 HydrophobicContact CD2-CE1 4.22Å; L239-Y295 WeakPolarHBondContact CD2-OH 3.41Å; L239-R302 HydrophobicContact CG-CG 4.5Å; L239-L303 HydrophobicContact CD1-CD2 3.51Å; L239-L303 HydrophobicContact CD1-CG 3.98Å
240	F	98	Very high	97.1	Very high	46 Å²	46	25.1 Å²	25.1	20%	0.202	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	138	172.5	-57.6	-51.2	0	0	0	110.3	Y213 L214 K215 D242 L272 Y275 N276 V279 I280	Y213-F240 CarbonylContact O-C 3.33Å; Y213-F240 WeakPolarHBondContact O-CA 3.31Å; L214-F240 HydrophobicContact CB-CD1 4.39Å; L214-F240 HydrophobicContact CB-CE1 4.48Å; L214-F240 HydrophobicContact CD2-CD1 3.6Å; L214-F240 HydrophobicContact CD2-CE1 3.86Å; L214-F240 HydrophobicContact CD2-CG 4.14Å; K215-F240 HydrophobicContact CD-CD1 4.41Å; K215-F240 HydrophobicContact CD-CE1 3.87Å; K215-F240 HydrophobicContact CG-CD1 3.92Å; K215-F240 HydrophobicContact CG-CE1 3.89Å; F240-D242 PolarHBondContact O-N 3.34Å; F240-L272 VanDerWaalsContact O-CD1 3.25Å; F240-L272 WeakPolarHBondContact O-CD1 3.37Å; F240-Y275 HydrophobicContact CB-CD1 4.4Å; F240-Y275 HydrophobicContact CB-CE1 4.12Å; F240-N276 WeakPolarHBondContact CB-OD1 3.43Å; F240-N276 WeakPolarHBondContact CD2-OD1 3.07Å; F240-N276 PolarHBondContact N-OD1 3.31Å; F240-N276 PolarHBondContact O-ND2 3.42Å; F240-V279 HydrophobicContact CD2-CB 4.33Å; F240-V279 HydrophobicContact CD2-CG1 4Å; F240-V279 HydrophobicContact CE2-CG1 4.31Å; F240-V279 HydrophobicContact CG-CG1 4.38Å; F240-I280 HydrophobicContact CD2-CD1 4.48Å; F240-I280 HydrophobicContact CD2-CG1 4.17Å; F240-I280 HydrophobicContact CE2-CD1 4.23Å; F240-I280 HydrophobicContact CE2-CG1 3.74Å
241	G	96.4	Very high	97.1	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.031	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	1.9	-177.4	0	0	0	0	0	115.5	Y213 R243 P351	Y213-G241 PolarHBondContact O-N 2.81Å; G241-R243 PolarHBondContact O-N 2.92Å; G241-P351 WeakPolarHBondContact O-CB 3.44Å
242	D	97.6	Very high	97.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.152	C	C	.	.			trans	-73.7	101	-175.6	-166	-21	0	0	0	111.9	L239 F240 F244 Y245 R261 L272 H304	L239-D242 HydrophobicContact CB-CB 4Å; L239-D242 WeakPolarHBondContact O-CB 3.47Å; L239-D242 PolarHBondContact O-N 3.32Å; F240-D242 PolarHBondContact O-N 3.34Å; D242-F244 WeakPolarHBondContact OD1-CB 3.36Å; D242-F244 PolarHBondContact OD1-N 3Å; D242-Y245 HydrophobicContact CB-CE2 4.24Å; D242-R261 IonicContact OD1-CZ 2.75Å; D242-R261 IonicContact OD1-NH1 3.89Å; D242-R261 PolarHBondContact OD1-NH1 2.87Å; D242-R261 IonicContact OD1-NH2 3.41Å; D242-R261 IonicContact OD2-CZ 3.67Å; D242-R261 IonicContact OD2-NH1 2.88Å; D242-R261 PolarHBondContact OD2-NH1 2.75Å; D242-R261 IonicContact OD2-NH2 3.87Å; D242-R261 PolarHBondContact OD2-NH2 3.45Å; D242-L272 HydrophobicContact CB-CD1 3.98Å; D242-L272 HydrophobicContact CB-CD2 4.11Å; D242-H304 IonicContact OD2-NE2 2.83Å
243	R	96.8	Very high	97.1	Very high	67 Å²	67	31.3 Å²	31.3	25%	0.253	16%	0.164	S	C	.	.			trans	-104.2	10.5	178.5	-68.4	171	62.5	-138.5	1.4	112.9	G241 Y245 P354	G241-R243 PolarHBondContact O-N 2.92Å; R243-Y245 PolarHBondContact O-N 2.96Å; R243-P354 HydrophobicContact CB-CG 4Å; R243-P354 WeakPolarHBondContact O-CB 2.99Å; R243-P354 WeakPolarHBondContact O-CG 3.38Å
244	F	97.4	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.			trans	-82.2	58	-178	-73.8	-108.2	0	0	0	110.6	D242 R261 L262 L264 D268 P352 P354	D242-F244 WeakPolarHBondContact OD1-CB 3.36Å; D242-F244 PolarHBondContact OD1-N 3Å; F244-R261 WeakPolarHBondContact O-CD 3.44Å; F244-R261 PolarHBondContact O-NH1 2.96Å; F244-L262 HydrophobicContact CB-CB 4.19Å; F244-L262 HydrophobicContact CD1-CB 4.43Å; F244-L262 PolarHBondContact O-N 2.93Å; F244-L264 HydrophobicContact CB-CD1 3.62Å; F244-L264 HydrophobicContact CB-CG 4.47Å; F244-L264 HydrophobicContact CD1-CD1 3.68Å; F244-L264 HydrophobicContact CD1-CG 3.85Å; F244-L264 HydrophobicContact CE1-CG 4.25Å; F244-L264 HydrophobicContact CG-CD1 3.73Å; F244-L264 HydrophobicContact CG-CG 4.08Å; F244-D268 HydrophobicContact CE1-CB 3.92Å; F244-D268 VanDerWaalsContact CE1-CG 3.48Å; F244-D268 WeakPolarHBondContact CE1-OD2 3.44Å; F244-D268 HydrophobicContact CE2-CB 4.38Å; F244-D268 HydrophobicContact CZ-CB 3.68Å; F244-D268 WeakPolarHBondContact CZ-OD1 3.39Å; F244-P352 HydrophobicContact CE2-CB 3.95Å; F244-P352 HydrophobicContact CE2-CG 3.93Å; F244-P352 HydrophobicContact CZ-CB 4.41Å; F244-P354 HydrophobicContact CD1-CB 4.38Å; F244-P354 HydrophobicContact CD2-CB 4.32Å; F244-P354 HydrophobicContact CE1-CB 4.47Å; F244-P354 HydrophobicContact CE2-CB 4.38Å; F244-P354 HydrophobicContact CG-CB 4.29Å; F244-P354 HydrophobicContact CZ-CB 4.45Å
245	Y	96.8	Very high	97	Very high	25 Å²	25	35.2 Å²	35.2	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.4	-178.6	-62.6	-79.8	0	0	0	111.2	L217 M238 D242 R243 L259 K260 H304	L217-Y245 HydrophobicContact CD2-CD2 3.54Å; L217-Y245 HydrophobicContact CD2-CE2 4.14Å; L217-Y245 HydrophobicContact CD2-CG 3.78Å; M238-Y245 HydrophobicContact CE-CD2 4.45Å; M238-Y245 HydrophobicContact CE-CE2 4.1Å; D242-Y245 HydrophobicContact CB-CE2 4.24Å; R243-Y245 PolarHBondContact O-N 2.96Å; Y245-L259 HydrophobicContact CD1-CD1 3.76Å; Y245-L259 HydrophobicContact CD1-CD2 4.36Å; Y245-L259 HydrophobicContact CD1-CG 4.19Å; Y245-L259 HydrophobicContact CE1-CD2 4.46Å; Y245-L259 HydrophobicContact CG-CD1 4.09Å; Y245-K260 CarbonylContact C-O 3.59Å; Y245-K260 WeakPolarHBondContact CA-O 3.4Å; Y245-H304 AromaticContact CE1-NE2 3.6Å; Y245-H304 AromaticContact CZ-NE2 3.12Å; Y245-H304 PolarHBondContact OH-NE2 3.27Å
246	T	97.3	Very high	97.3	Very high	16 Å²	16	32.4 Å²	32.4	10%	0.098	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.6	158.1	-62.1	0	0	0	0	107.9	Y258 L259 K260 F359	T246-Y258 HydrophobicContact CG2-CE1 4.21Å; T246-L259 WeakPolarHBondContact O-CA 3.48Å; T246-K260 PolarHBondContact N-O 3.37Å; T246-K260 PolarHBondContact O-N 3.18Å; T246-F359 HydrophobicContact CG2-CZ 3.92Å
247	F	98.4	Very high	97.5	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.2	-177.7	174	-115.9	0	0	0	111.8	L217 C219 C220 F226 V231 C249 E257 Y258 L259	L217-F247 HydrophobicContact CB-CB 4.27Å; L217-F247 HydrophobicContact CB-CD1 3.61Å; L217-F247 HydrophobicContact CB-CE1 4.05Å; L217-F247 HydrophobicContact CB-CG 3.91Å; L217-F247 HydrophobicContact CD1-CB 4.47Å; L217-F247 HydrophobicContact CD1-CD1 4.4Å; L217-F247 HydrophobicContact CD1-CD2 3.88Å; L217-F247 HydrophobicContact CD1-CE2 4.18Å; L217-F247 HydrophobicContact CD1-CG 4Å; L217-F247 HydrophobicContact CG-CG 4.49Å; C219-F247 HydrophobicContact CB-CD1 4.28Å; C219-F247 HydrophobicContact CB-CE1 4.44Å; C220-F247 PolarHBondContact N-O 3.24Å; C220-F247 PolarHBondContact SG-O 3.1Å; C220-F247 VanDerWaalsContact SG-O 3.37Å; F226-F247 HydrophobicContact CB-CE1 3.94Å; F226-F247 HydrophobicContact CB-CZ 4.33Å; F226-F247 AromaticContact CD2-CE1 3.71Å; F226-F247 HydrophobicContact CD2-CE1 3.71Å; F226-F247 AromaticContact CG-CE1 3.91Å; F226-F247 HydrophobicContact CG-CE1 3.91Å; F226-F247 HydrophobicContact CG-CZ 4.42Å; V231-F247 HydrophobicContact CG1-CE2 4.08Å; V231-F247 HydrophobicContact CG1-CZ 3.7Å; F247-C249 HydrophobicContact CE1-CB 3.81Å; F247-C249 HydrophobicContact CZ-CB 3.88Å; F247-E257 HydrophobicContact CE2-CB 3.99Å; F247-E257 HydrophobicContact CE2-CG 3.83Å; F247-E257 HydrophobicContact CZ-CG 4.18Å; F247-Y258 CarbonylContact C-O 3.6Å; F247-Y258 WeakPolarHBondContact CA-O 3.25Å; F247-Y258 WeakPolarHBondContact CD2-O 3.33Å; F247-L259 HydrophobicContact CB-CD1 3.98Å; F247-L259 HydrophobicContact CD2-CD1 4.05Å; F247-L259 HydrophobicContact CG-CD1 4.43Å
248	I	98.6	Very high	97.6	Very high	28 Å²	28	32.6 Å²	32.6	14%	0.144	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.7	168.2	-50.9	175.9	0	0	0	107.7	K221 C252 E257 Y258	K221-I248 HydrophobicContact CG-CG2 4.14Å; I248-C252 HydrophobicContact CG2-CB 3.69Å; I248-E257 WeakPolarHBondContact O-CA 3.18Å; I248-Y258 HydrophobicContact CD1-CD1 4.38Å; I248-Y258 HydrophobicContact CD1-CG 4.42Å; I248-Y258 HydrophobicContact CG1-CD1 4.37Å; I248-Y258 PolarHBondContact N-O 2.88Å; I248-Y258 PolarHBondContact O-N 3.13Å; I248-Y258 VanDerWaalsContact O-N 3.13Å
249	C	98.6	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.			trans	-76.5	157.9	177.8	70.2	0	0	0	0	111.9	Y205 C219 F226 F247 V251 C252 S253	Y205-C249 HydrophobicContact CE1-CB 3.87Å; Y205-C249 WeakPolarHBondContact OH-CA 3.48Å; Y205-C249 WeakPolarHBondContact OH-CB 3.41Å; C219-C249 HydrophobicContact CB-CB 4.22Å; C219-C249 PolarHBondContact SG-N 3.14Å; F226-C249 HydrophobicContact CD1-CB 4.13Å; F226-C249 HydrophobicContact CD2-CB 4.04Å; F226-C249 HydrophobicContact CE1-CB 3.79Å; F226-C249 HydrophobicContact CE2-CB 3.66Å; F226-C249 HydrophobicContact CG-CB 4.28Å; F226-C249 HydrophobicContact CZ-CB 3.55Å; F226-C249 WeakPolarHBondContact CZ-SG 3.34Å; F247-C249 HydrophobicContact CE1-CB 3.81Å; F247-C249 HydrophobicContact CZ-CB 3.88Å; C249-V251 PolarHBondContact O-N 3.28Å; C249-V251 VanDerWaalsContact O-N 3.13Å; C249-C252 WeakPolarHBondContact O-CA 3.47Å; C249-C252 PolarHBondContact O-N 2.71Å; C249-S253 PolarHBondContact O-N 3.13Å; C249-S253 PolarHBondContact O-OG 3.35Å
250	S	98.4	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-21.6	-175.7	-76.8	0	0	0	0	116.1	Q176 K179 Y205 C252 S253 S254 G255	Q176-S250 PolarHBondContact NE2-OG 3.41Å; K179-S250 WeakPolarHBondContact CE-OG 3.38Å; Y205-S250 PolarHBondContact OH-N 3.17Å; S250-C252 VanDerWaalsContact C-N 3.31Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S254 WeakPolarHBondContact O-CA 3.33Å; S250-S254 PolarHBondContact O-N 3.39Å; S250-G255 VanDerWaalsContact CA-O 3.31Å; S250-G255 WeakPolarHBondContact CA-O 3.49Å; S250-G255 WeakPolarHBondContact CB-O 3.45Å; S250-G255 PolarHBondContact O-N 3.05Å; S250-G255 PolarHBondContact OG-O 3.14Å
251	V	98.3	Very high	97.5	Very high	50 Å²	50	40.3 Å²	40.3	30%	0.303	22%	0.216	S	C	.	.	H	α-helix	trans	-69.5	-32.2	172.2	-171.3	0	0	0	0	110.9	K179 L182 Y205 C249	K179-V251 WeakPolarHBondContact O-CG2 3.08Å; L182-V251 HydrophobicContact CD1-CG2 4.36Å; L182-V251 HydrophobicContact CD2-CG2 3.79Å; L182-V251 HydrophobicContact CG-CG1 4.49Å; L182-V251 HydrophobicContact CG-CG2 3.84Å; Y205-V251 HydrophobicContact CD1-CG2 4.13Å; Y205-V251 HydrophobicContact CE1-CG2 4.13Å; C249-V251 PolarHBondContact O-N 3.28Å; C249-V251 VanDerWaalsContact O-N 3.13Å
252	C	98.3	Very high	97.4	Very high	50 Å²	50	40.8 Å²	40.8	34%	0.338	22%	0.217	S	C	.	.	H	α-helix	trans	-95.4	-9.4	-179.1	-66.1	0	0	0	0	114.2	K221 I248 C249 S250	K221-C252 HydrophobicContact CB-CB 3.96Å; K221-C252 HydrophobicContact CG-CB 4.21Å; I248-C252 HydrophobicContact CG2-CB 3.69Å; C249-C252 WeakPolarHBondContact O-CA 3.47Å; C249-C252 PolarHBondContact O-N 2.71Å; S250-C252 VanDerWaalsContact C-N 3.31Å
253	S	97.4	Very high	97.3	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	24%	0.237	S	C	.	.	H	α-helix	trans	-111.2	-1.5	173.1	58.5	0	0	0	0	113.7	C249 S250 G255 P256	C249-S253 PolarHBondContact O-N 3.13Å; C249-S253 PolarHBondContact O-OG 3.35Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S253-G255 PolarHBondContact O-N 3.49Å; S253-G255 VanDerWaalsContact O-N 3.15Å; S253-G255 PolarHBondContact OG-O 2.71Å; S253-P256 WeakPolarHBondContact CB-O 3.46Å; S253-P256 PolarHBondContact OG-O 2.86Å
254	S	96.4	Very high	97.2	Very high	97 Å²	97	40.6 Å²	40.6	68%	0.678	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	40.8	-175.4	-55.9	0	0	0	0	113	Q180 S250	Q180-S254 PolarHBondContact OE1-O 2.9Å; S250-S254 WeakPolarHBondContact O-CA 3.33Å; S250-S254 PolarHBondContact O-N 3.39Å
255	G	95.9	Very high	97.2	Very high	9 Å²	9	46.1 Å²	46.1	9%	0.093	25%	0.251	C	S	.	.	S	Bend	trans	165.9	-154.1	-164.9	0	0	0	0	0	112.8	Q176 S250 S253	Q176-G255 PolarHBondContact NE2-O 3.15Å; Q176-G255 VanDerWaalsContact NE2-O 3.08Å; S250-G255 VanDerWaalsContact CA-O 3.31Å; S250-G255 WeakPolarHBondContact CA-O 3.49Å; S250-G255 WeakPolarHBondContact CB-O 3.45Å; S250-G255 PolarHBondContact O-N 3.05Å; S250-G255 PolarHBondContact OG-O 3.14Å; S253-G255 PolarHBondContact O-N 3.49Å; S253-G255 VanDerWaalsContact O-N 3.15Å; S253-G255 PolarHBondContact OG-O 2.71Å
256	P	97.5	Very high	97.2	Very high	100 Å²	100	46.9 Å²	46.9	65%	0.649	25%	0.253	S	S	*	.	S	Bend	trans	-55.7	150.8	-179.9	-26.5	36.1	0	0	0	114.3	S253	S253-P256 WeakPolarHBondContact CB-O 3.46Å; S253-P256 PolarHBondContact OG-O 2.86Å
257	E	98.4	Very high	97.2	Very high	21 Å²	21	47.2 Å²	47.2	10%	0.098	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-70.1	138.5	174.7	-74.9	153.1	168.5	0	0	112	K179 Y205 V231 Q232 C233 F247 I248	K179-E257 WeakPolarHBondContact CE-OE1 3.21Å; K179-E257 IonicContact NZ-OE1 2.8Å; K179-E257 PolarHBondContact NZ-OE1 2.82Å; K179-E257 IonicContact NZ-OE2 3.09Å; K179-E257 PolarHBondContact NZ-OE2 3.2Å; Y205-E257 WeakPolarHBondContact CE2-OE1 3.44Å; Y205-E257 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E257 VanDerWaalsContact OH-CG 3.32Å; Y205-E257 WeakPolarHBondContact OH-CG 3.1Å; Y205-E257 PolarHBondContact OH-OE1 3.15Å; V231-E257 WeakPolarHBondContact CA-OE1 3.35Å; V231-E257 WeakPolarHBondContact CG1-OE1 3.49Å; Q232-E257 PolarHBondContact N-OE2 3.18Å; C233-E257 HydrophobicContact CB-CB 3.8Å; C233-E257 PolarHBondContact N-OE2 3.29Å; C233-E257 VanDerWaalsContact N-OE2 3.15Å; F247-E257 HydrophobicContact CE2-CB 3.99Å; F247-E257 HydrophobicContact CE2-CG 3.83Å; F247-E257 HydrophobicContact CZ-CG 4.18Å; I248-E257 WeakPolarHBondContact O-CA 3.18Å
258	Y	98.1	Very high	97.1	Very high	116 Å²	116	48.3 Å²	48.3	46%	0.455	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.5	165.9	-178.9	-88.9	0	0	0	109.9	T246 F247 I248 K260	T246-Y258 HydrophobicContact CG2-CE1 4.21Å; F247-Y258 CarbonylContact C-O 3.6Å; F247-Y258 WeakPolarHBondContact CA-O 3.25Å; F247-Y258 WeakPolarHBondContact CD2-O 3.33Å; I248-Y258 HydrophobicContact CD1-CD1 4.38Å; I248-Y258 HydrophobicContact CD1-CG 4.42Å; I248-Y258 HydrophobicContact CG1-CD1 4.37Å; I248-Y258 PolarHBondContact N-O 2.88Å; I248-Y258 PolarHBondContact O-N 3.13Å; I248-Y258 VanDerWaalsContact O-N 3.13Å; Y258-K260 HydrophobicContact CE1-CB 3.75Å
259	L	97.6	Very high	97.1	Very high	46 Å²	46	47 Å²	47	24%	0.241	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123.1	173.1	-174.8	71.3	0	0	0	110.8	L217 C233 L234 Y245 T246 F247	L217-L259 HydrophobicContact CD1-CD1 3.93Å; L217-L259 HydrophobicContact CD2-CD1 4.31Å; C233-L259 HydrophobicContact CB-CB 3.79Å; C233-L259 HydrophobicContact CB-CD2 4.28Å; L234-L259 HydrophobicContact CD2-CD2 3.82Å; L234-L259 HydrophobicContact CG-CD2 4.34Å; Y245-L259 HydrophobicContact CD1-CD1 3.76Å; Y245-L259 HydrophobicContact CD1-CD2 4.36Å; Y245-L259 HydrophobicContact CD1-CG 4.19Å; Y245-L259 HydrophobicContact CE1-CD2 4.46Å; Y245-L259 HydrophobicContact CG-CD1 4.09Å; T246-L259 WeakPolarHBondContact O-CA 3.48Å; F247-L259 HydrophobicContact CB-CD1 3.98Å; F247-L259 HydrophobicContact CD2-CD1 4.05Å; F247-L259 HydrophobicContact CG-CD1 4.43Å
260	K	96.2	Very high	97.1	Very high	118 Å²	118	47 Å²	47	51%	0.513	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.8	170.5	178.2	175.6	179.9	179	0	109.6	Y245 T246 Y258	Y245-K260 CarbonylContact C-O 3.59Å; Y245-K260 WeakPolarHBondContact CA-O 3.4Å; T246-K260 PolarHBondContact N-O 3.37Å; T246-K260 PolarHBondContact O-N 3.18Å; Y258-K260 HydrophobicContact CE1-CB 3.75Å
261	R	96.3	Very high	97	Very high	49 Å²	49	47.5 Å²	47.5	19%	0.185	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.1	168.6	179.6	46	160.1	-162.4	-6.1	108.9	D242 F244 L303 H304	D242-R261 IonicContact OD1-CZ 2.75Å; D242-R261 IonicContact OD1-NH1 3.89Å; D242-R261 PolarHBondContact OD1-NH1 2.87Å; D242-R261 IonicContact OD1-NH2 3.41Å; D242-R261 IonicContact OD2-CZ 3.67Å; D242-R261 IonicContact OD2-NH1 2.88Å; D242-R261 PolarHBondContact OD2-NH1 2.75Å; D242-R261 IonicContact OD2-NH2 3.87Å; D242-R261 PolarHBondContact OD2-NH2 3.45Å; F244-R261 WeakPolarHBondContact O-CD 3.44Å; F244-R261 PolarHBondContact O-NH1 2.96Å; R261-L303 PolarHBondContact NH2-O 3.4Å; R261-H304 WeakPolarHBondContact CG-O 3.46Å; R261-H304 PolarHBondContact NE-CE1 3Å; R261-H304 PolarHBondContact NE-ND1 2.79Å; R261-H304 PolarHBondContact NE-NE2 2.89Å; R261-H304 VanDerWaalsContact NE-NE2 3.19Å; R261-H304 PolarHBondContact NE-O 2.82Å; R261-H304 PolarHBondContact NH1-NE2 3.2Å; R261-H304 PolarHBondContact NH2-CE1 3.38Å; R261-H304 PolarHBondContact NH2-ND1 2.59Å; R261-H304 PolarHBondContact NH2-NE2 3.02Å
262	L	95.2	Very high	97	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-85	148.5	168.4	-54.6	-176.3	0	0	0	109.5	F244 L264 P354 V357	F244-L262 HydrophobicContact CB-CB 4.19Å; F244-L262 HydrophobicContact CD1-CB 4.43Å; F244-L262 PolarHBondContact O-N 2.93Å; L262-L264 WeakPolarHBondContact O-CD1 3.34Å; L262-P354 HydrophobicContact CD1-CB 4.15Å; L262-V357 HydrophobicContact CD1-CG2 3.81Å; L262-V357 HydrophobicContact CD2-CG2 3.7Å; L262-V357 HydrophobicContact CG-CG2 4.41Å
263	P	94.4	Very high	97	Very high	65 Å²	65	42.8 Å²	42.8	42%	0.422	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-64.3	147.3	172.7	29.1	-34.9	0	0	0	110.2
264	L	96.3	Very high	97.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.211	C	C	.	.			trans	-106.9	146.1	172.3	-84	69	0	0	0	109.4	F244 L262 D268 I269 L272 P305 L308	F244-L264 HydrophobicContact CB-CD1 3.62Å; F244-L264 HydrophobicContact CB-CG 4.47Å; F244-L264 HydrophobicContact CD1-CD1 3.68Å; F244-L264 HydrophobicContact CD1-CG 3.85Å; F244-L264 HydrophobicContact CE1-CG 4.25Å; F244-L264 HydrophobicContact CG-CD1 3.73Å; F244-L264 HydrophobicContact CG-CG 4.08Å; L262-L264 WeakPolarHBondContact O-CD1 3.34Å; L264-D268 HydrophobicContact CB-CB 4.08Å; L264-D268 HydrophobicContact CD2-CB 4.33Å; L264-D268 HydrophobicContact CG-CB 3.99Å; L264-I269 HydrophobicContact CB-CG1 4.05Å; L264-I269 HydrophobicContact CD2-CG1 3.95Å; L264-L272 HydrophobicContact CD2-CD2 4.2Å; L264-P305 HydrophobicContact CB-CB 4.08Å; L264-P305 PolarHBondContact N-O 3.14Å; L264-L308 VanDerWaalsContact O-CD1 3.3Å; L264-L308 WeakPolarHBondContact O-CD1 3.39Å
265	Q	96.2	Very high	97.1	Very high	115 Å²	115	36.3 Å²	36.3	54%	0.537	18%	0.18	S	C	.	.			trans	-92.1	166.2	164.9	-53.5	-58.1	-83.3	0	0	110.2	V267 D268 I269	Q265-V267 HydrophobicContact CB-CG2 3.87Å; Q265-V267 PolarHBondContact O-N 3.3Å; Q265-D268 WeakPolarHBondContact CB-OD2 3.46Å; Q265-D268 PolarHBondContact N-OD2 3.13Å; Q265-D268 WeakPolarHBondContact O-CB 3.34Å; Q265-D268 PolarHBondContact O-N 3.17Å; Q265-I269 PolarHBondContact O-N 2.79Å
266	W	97.2	Very high	97.3	Very high	41 Å²	41	36 Å²	36	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-35.5	176.6	-70.5	112.9	0	0	0	113.3	D268 I269 A270 W300 L308 T311 R316 H319 V320 A323	W266-D268 VanDerWaalsContact C-N 3.34Å; W266-D268 PolarHBondContact O-N 2.89Å; W266-I269 HydrophobicContact CE3-CD1 3.99Å; W266-I269 HydrophobicContact CZ3-CD1 4.2Å; W266-I269 PolarHBondContact O-N 3.14Å; W266-A270 WeakPolarHBondContact O-CB 3.26Å; W266-A270 PolarHBondContact O-N 2.68Å; W266-W300 AromaticContact CH2-CH2 3.6Å; W266-W300 HydrophobicContact CH2-CH2 3.6Å; W266-W300 HydrophobicContact CH2-CZ2 4.28Å; W266-W300 AromaticContact CZ3-CH2 3.61Å; W266-W300 HydrophobicContact CZ3-CH2 3.61Å; W266-W300 HydrophobicContact CZ3-CZ3 4.17Å; W266-L308 HydrophobicContact CD2-CD1 3.97Å; W266-L308 HydrophobicContact CG-CD1 4.11Å; W266-L308 HydrophobicContact CZ2-CB 4.36Å; W266-L308 HydrophobicContact CZ2-CD1 4.29Å; W266-L308 HydrophobicContact CZ2-CD2 4.14Å; W266-T311 HydrophobicContact CH2-CG2 3.93Å; W266-T311 HydrophobicContact CZ2-CG2 3.91Å; W266-R316 HydrophobicContact CH2-CB 4.3Å; W266-R316 HydrophobicContact CH2-CG 4.05Å; W266-R316 HydrophobicContact CZ3-CB 4.32Å; W266-R316 HydrophobicContact CZ3-CG 4.44Å; W266-H319 HydrophobicContact CB-CB 4.46Å; W266-H319 HydrophobicContact CD2-CB 3.47Å; W266-H319 VanDerWaalsContact CD2-CB 3.47Å; W266-H319 AromaticContact CE2-CD2 3.66Å; W266-H319 AromaticContact CE2-CG 3.87Å; W266-H319 HydrophobicContact CE3-CB 3.96Å; W266-H319 HydrophobicContact CG-CB 3.69Å; W266-H319 HydrophobicContact CZ2-CB 4.09Å; W266-H319 AromaticContact CZ2-CD2 3.63Å; W266-H319 HydrophobicContact CZ3-CB 4.44Å; W266-H319 AromaticContact NE1-CD2 3.68Å; W266-H319 AromaticContact NE1-CG 3.77Å; W266-V320 HydrophobicContact CE3-CG2 3.78Å; W266-V320 HydrophobicContact CZ3-CG2 4.04Å; W266-A323 HydrophobicContact CB-CB 4.19Å
267	V	96.7	Very high	97.3	Very high	24 Å²	24	31.4 Å²	31.4	15%	0.145	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-37.6	173.1	-65	0	0	0	0	112.6	Q265 H271 A323 Y327	Q265-V267 HydrophobicContact CB-CG2 3.87Å; Q265-V267 PolarHBondContact O-N 3.3Å; V267-H271 VanDerWaalsContact O-CB 3.27Å; V267-H271 WeakPolarHBondContact O-CB 3.21Å; V267-H271 PolarHBondContact O-N 2.87Å; V267-A323 HydrophobicContact CG1-CB 3.76Å; V267-Y327 HydrophobicContact CG1-CD2 3.42Å; V267-Y327 VanDerWaalsContact CG1-CD2 3.42Å; V267-Y327 HydrophobicContact CG1-CE2 3.72Å; V267-Y327 HydrophobicContact CG1-CG 3.94Å
268	D	97.4	Very high	97.2	Very high	23 Å²	23	30.6 Å²	30.6	12%	0.123	14%	0.143	C	C	.	.	H	α-helix	trans	-71.2	-40.1	178.4	-56.2	-44.4	0	0	0	110.9	F244 L264 Q265 W266 L272	F244-D268 HydrophobicContact CE1-CB 3.92Å; F244-D268 VanDerWaalsContact CE1-CG 3.48Å; F244-D268 WeakPolarHBondContact CE1-OD2 3.44Å; F244-D268 HydrophobicContact CE2-CB 4.38Å; F244-D268 HydrophobicContact CZ-CB 3.68Å; F244-D268 WeakPolarHBondContact CZ-OD1 3.39Å; L264-D268 HydrophobicContact CB-CB 4.08Å; L264-D268 HydrophobicContact CD2-CB 4.33Å; L264-D268 HydrophobicContact CG-CB 3.99Å; Q265-D268 WeakPolarHBondContact CB-OD2 3.46Å; Q265-D268 PolarHBondContact N-OD2 3.13Å; Q265-D268 WeakPolarHBondContact O-CB 3.34Å; Q265-D268 PolarHBondContact O-N 3.17Å; W266-D268 VanDerWaalsContact C-N 3.34Å; W266-D268 PolarHBondContact O-N 2.89Å; D268-L272 WeakPolarHBondContact O-CB 3.02Å; D268-L272 PolarHBondContact O-N 2.95Å
269	I	97.9	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-50.1	174.8	-63.4	170.4	0	0	0	109.9	L264 Q265 W266 H271 L272 C273 I296 W300 L303 P305 L308	L264-I269 HydrophobicContact CB-CG1 4.05Å; L264-I269 HydrophobicContact CD2-CG1 3.95Å; Q265-I269 PolarHBondContact O-N 2.79Å; W266-I269 HydrophobicContact CE3-CD1 3.99Å; W266-I269 HydrophobicContact CZ3-CD1 4.2Å; W266-I269 PolarHBondContact O-N 3.14Å; I269-H271 PolarHBondContact O-N 2.94Å; I269-L272 PolarHBondContact O-N 3.11Å; I269-C273 WeakPolarHBondContact O-CB 3.34Å; I269-C273 PolarHBondContact O-N 2.81Å; I269-I296 HydrophobicContact CG2-CD1 4.22Å; I269-I296 HydrophobicContact CG2-CG1 4.3Å; I269-I296 HydrophobicContact CG2-CG2 4.3Å; I269-W300 HydrophobicContact CD1-CH2 4.2Å; I269-W300 HydrophobicContact CD1-CZ3 4.36Å; I269-W300 HydrophobicContact CG2-CZ3 4.44Å; I269-L303 HydrophobicContact CG2-CD1 4.1Å; I269-L303 HydrophobicContact CG2-CD2 4.5Å; I269-P305 HydrophobicContact CD1-CB 3.86Å; I269-P305 HydrophobicContact CD1-CG 4.42Å; I269-P305 HydrophobicContact CG1-CB 4.4Å; I269-L308 HydrophobicContact CD1-CD1 3.9Å
270	A	97.9	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-45.5	178.8	0	0	0	0	0	112	W266 L274 V320 L324 F331	W266-A270 WeakPolarHBondContact O-CB 3.26Å; W266-A270 PolarHBondContact O-N 2.68Å; A270-L274 WeakPolarHBondContact O-CB 3.21Å; A270-L274 WeakPolarHBondContact O-CG 3.24Å; A270-L274 PolarHBondContact O-N 2.78Å; A270-V320 HydrophobicContact CB-CG1 4.3Å; A270-L324 HydrophobicContact CB-CD2 4.21Å; A270-L324 HydrophobicContact CB-CG 4.37Å; A270-F331 HydrophobicContact CB-CE1 4.33Å; A270-F331 HydrophobicContact CB-CZ 3.83Å
271	H	98.2	Very high	97.1	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.056	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-49.6	177.4	-166.2	145.2	0	0	0	111.4	V267 I269 C273 L274 Y275 M330 F331 V350 P352	V267-H271 VanDerWaalsContact O-CB 3.27Å; V267-H271 WeakPolarHBondContact O-CB 3.21Å; V267-H271 PolarHBondContact O-N 2.87Å; I269-H271 PolarHBondContact O-N 2.94Å; H271-C273 PolarHBondContact O-N 2.63Å; H271-L274 PolarHBondContact O-N 2.81Å; H271-Y275 VanDerWaalsContact O-CB 3.29Å; H271-Y275 WeakPolarHBondContact O-CB 3.46Å; H271-Y275 PolarHBondContact O-N 3.3Å; H271-M330 PolarHBondContact ND1-SD 2.96Å; H271-F331 HydrophobicContact CB-CE1 4.13Å; H271-F331 HydrophobicContact CB-CZ 4.04Å; H271-V350 PolarHBondContact NE2-O 3.09Å; H271-P352 HydrophobicContact CB-CB 4.13Å
272	L	98.1	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-44.1	-177.9	-174.9	59.8	0	0	0	111.5	L239 F240 D242 L264 D268 I269 Y275 N276 L303 P352	L239-L272 HydrophobicContact CB-CD1 4.43Å; L239-L272 HydrophobicContact CB-CD2 4.36Å; L239-L272 HydrophobicContact CB-CG 4.43Å; L239-L272 HydrophobicContact CD1-CD2 3.76Å; L239-L272 HydrophobicContact CD1-CG 4.23Å; F240-L272 VanDerWaalsContact O-CD1 3.25Å; F240-L272 WeakPolarHBondContact O-CD1 3.37Å; D242-L272 HydrophobicContact CB-CD1 3.98Å; D242-L272 HydrophobicContact CB-CD2 4.11Å; L264-L272 HydrophobicContact CD2-CD2 4.2Å; D268-L272 WeakPolarHBondContact O-CB 3.02Å; D268-L272 PolarHBondContact O-N 2.95Å; I269-L272 PolarHBondContact O-N 3.11Å; L272-Y275 PolarHBondContact O-N 3.3Å; L272-N276 PolarHBondContact O-N 2.82Å; L272-N276 PolarHBondContact O-ND2 3.25Å; L272-L303 HydrophobicContact CD2-CD2 4.07Å; L272-P352 HydrophobicContact CB-CG 4.09Å; L272-P352 HydrophobicContact CD1-CG 4.09Å
273	C	98.3	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-42.2	178.3	-73.2	0	0	0	0	112.7	I269 H271 Y275 N276 L277 L292 Y295 I296	I269-C273 WeakPolarHBondContact O-CB 3.34Å; I269-C273 PolarHBondContact O-N 2.81Å; H271-C273 PolarHBondContact O-N 2.63Å; C273-Y275 VanDerWaalsContact C-N 3.29Å; C273-Y275 PolarHBondContact O-N 2.81Å; C273-N276 PolarHBondContact O-N 3Å; C273-L277 WeakPolarHBondContact O-CB 3.29Å; C273-L277 WeakPolarHBondContact O-CG 3.48Å; C273-L277 PolarHBondContact O-N 2.97Å; C273-L292 HydrophobicContact CB-CD1 3.61Å; C273-Y295 HydrophobicContact CB-CD1 3.88Å; C273-Y295 HydrophobicContact CB-CE1 4.22Å; C273-I296 HydrophobicContact CB-CD1 4.19Å; C273-I296 HydrophobicContact CB-CG1 3.69Å; C273-I296 VanDerWaalsContact SG-CG1 3.52Å
274	L	98	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-35.4	171.6	-80.8	176.7	0	0	0	112.5	A270 H271 S278 F286 L292 L324 F331 F344 L346	A270-L274 WeakPolarHBondContact O-CB 3.21Å; A270-L274 WeakPolarHBondContact O-CG 3.24Å; A270-L274 PolarHBondContact O-N 2.78Å; H271-L274 PolarHBondContact O-N 2.81Å; L274-S278 WeakPolarHBondContact O-CB 3.37Å; L274-S278 PolarHBondContact O-N 3.12Å; L274-S278 PolarHBondContact O-OG 3.36Å; L274-F286 HydrophobicContact CD2-CB 4.09Å; L274-F286 HydrophobicContact CD2-CD2 3.96Å; L274-F286 HydrophobicContact CD2-CG 4.33Å; L274-L292 HydrophobicContact CD1-CD2 4.36Å; L274-L292 HydrophobicContact CD2-CD1 4.1Å; L274-L292 HydrophobicContact CD2-CD2 4.06Å; L274-L292 HydrophobicContact CG-CD1 3.94Å; L274-L292 HydrophobicContact CG-CD2 3.93Å; L274-L324 HydrophobicContact CD1-CD2 3.63Å; L274-F331 HydrophobicContact CD1-CD1 3.78Å; L274-F331 HydrophobicContact CD1-CE1 3.9Å; L274-F344 HydrophobicContact CD1-CB 4.4Å; L274-L346 HydrophobicContact CB-CD2 4.03Å; L274-L346 HydrophobicContact CB-CG 4.11Å; L274-L346 HydrophobicContact CD1-CD2 4.34Å
275	Y	98.3	Very high	96.9	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-47.8	174.6	-178.1	-97.4	0	0	0	111.3	Y213 F240 H271 L272 C273 S278 V279 L346 R349 V350 P351	Y213-Y275 WeakPolarHBondContact CB-OH 3.48Å; Y213-Y275 WeakPolarHBondContact CD2-OH 3.48Å; F240-Y275 HydrophobicContact CB-CD1 4.4Å; F240-Y275 HydrophobicContact CB-CE1 4.12Å; H271-Y275 VanDerWaalsContact O-CB 3.29Å; H271-Y275 WeakPolarHBondContact O-CB 3.46Å; H271-Y275 PolarHBondContact O-N 3.3Å; L272-Y275 PolarHBondContact O-N 3.3Å; C273-Y275 VanDerWaalsContact C-N 3.29Å; C273-Y275 PolarHBondContact O-N 2.81Å; Y275-S278 WeakPolarHBondContact O-CB 3.37Å; Y275-S278 PolarHBondContact O-N 3.31Å; Y275-V279 HydrophobicContact CD1-CG2 4.3Å; Y275-V279 HydrophobicContact CE1-CG2 3.78Å; Y275-V279 HydrophobicContact CE2-CG2 4.23Å; Y275-V279 WeakPolarHBondContact O-CG2 3.39Å; Y275-V279 PolarHBondContact O-N 3.01Å; Y275-L346 HydrophobicContact CD2-CD1 4.12Å; Y275-R349 HydrophobicContact CD2-CG 4.34Å; Y275-R349 HydrophobicContact CE2-CG 4.19Å; Y275-V350 VanDerWaalsContact CD2-C 3.47Å; Y275-V350 WeakPolarHBondContact CD2-O 3.35Å; Y275-P351 HydrophobicContact CD1-CG 4.49Å; Y275-P351 HydrophobicContact CE1-CG 3.9Å; Y275-P351 HydrophobicContact CE2-CG 3.93Å
276	N	98.1	Very high	97	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-50.3	177.4	-86.5	-98.2	0	0	0	111.6	F240 L272 C273 S278 V279 I280 Y295	F240-N276 WeakPolarHBondContact CB-OD1 3.43Å; F240-N276 WeakPolarHBondContact CD2-OD1 3.07Å; F240-N276 PolarHBondContact N-OD1 3.31Å; F240-N276 PolarHBondContact O-ND2 3.42Å; L272-N276 PolarHBondContact O-N 2.82Å; L272-N276 PolarHBondContact O-ND2 3.25Å; C273-N276 PolarHBondContact O-N 3Å; N276-S278 VanDerWaalsContact C-N 3.3Å; N276-S278 PolarHBondContact O-N 3.33Å; N276-V279 PolarHBondContact O-N 3.11Å; N276-V279 VanDerWaalsContact O-N 3.15Å; N276-I280 HydrophobicContact CB-CD1 4.5Å; N276-I280 WeakPolarHBondContact O-CB 3.38Å; N276-I280 WeakPolarHBondContact O-CD1 3.22Å; N276-I280 VanDerWaalsContact O-CG1 3.24Å; N276-I280 WeakPolarHBondContact O-CG1 3.45Å; N276-I280 PolarHBondContact O-N 2.99Å; N276-Y295 HydrophobicContact CB-CE1 3.97Å; N276-Y295 VanDerWaalsContact CB-OH 3.31Å; N276-Y295 WeakPolarHBondContact CB-OH 3.1Å; N276-Y295 PolarHBondContact OD1-OH 3.18Å
277	L	98.1	Very high	97.1	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-41.6	176	-74.3	172.7	0	0	0	111.8	C273 V279 I280 H281 F286 L292 Y295	C273-L277 WeakPolarHBondContact O-CB 3.29Å; C273-L277 WeakPolarHBondContact O-CG 3.48Å; C273-L277 PolarHBondContact O-N 2.97Å; L277-V279 VanDerWaalsContact C-N 3.31Å; L277-V279 PolarHBondContact O-N 2.92Å; L277-I280 PolarHBondContact O-N 2.83Å; L277-H281 PolarHBondContact O-CD2 2.88Å; L277-H281 PolarHBondContact O-N 2.74Å; L277-F286 HydrophobicContact CB-CD1 3.84Å; L277-F286 HydrophobicContact CB-CD2 4.32Å; L277-F286 HydrophobicContact CB-CE1 3.57Å; L277-F286 HydrophobicContact CB-CE2 4.09Å; L277-F286 HydrophobicContact CB-CG 4.22Å; L277-F286 HydrophobicContact CB-CZ 3.73Å; L277-F286 HydrophobicContact CD1-CD1 4.14Å; L277-F286 HydrophobicContact CD1-CG 4.33Å; L277-F286 HydrophobicContact CD2-CE1 4.48Å; L277-F286 HydrophobicContact CG-CD1 4.41Å; L277-F286 HydrophobicContact CG-CE1 4.46Å; L277-F286 WeakPolarHBondContact O-CZ 3.44Å; L277-L292 HydrophobicContact CD1-CB 4.41Å; L277-L292 HydrophobicContact CD1-CD1 3.96Å; L277-Y295 HydrophobicContact CD1-CG 4.26Å; L277-Y295 HydrophobicContact CD2-CD2 3.6Å; L277-Y295 HydrophobicContact CD2-CE2 4.19Å; L277-Y295 HydrophobicContact CD2-CG 3.87Å; L277-Y295 HydrophobicContact CG-CD1 4.34Å; L277-Y295 HydrophobicContact CG-CD2 4.12Å; L277-Y295 HydrophobicContact CG-CG 3.99Å
278	S	97.3	Very high	97.1	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-32.4	176.3	-66.3	0	0	0	0	113.9	L274 Y275 N276 K282 R349	L274-S278 WeakPolarHBondContact O-CB 3.37Å; L274-S278 PolarHBondContact O-N 3.12Å; L274-S278 PolarHBondContact O-OG 3.36Å; Y275-S278 WeakPolarHBondContact O-CB 3.37Å; Y275-S278 PolarHBondContact O-N 3.31Å; N276-S278 VanDerWaalsContact C-N 3.3Å; N276-S278 PolarHBondContact O-N 3.33Å; S278-K282 VanDerWaalsContact O-CA 3.28Å; S278-K282 WeakPolarHBondContact O-CA 3.3Å; S278-K282 PolarHBondContact O-N 3.43Å; S278-R349 PolarHBondContact O-NH2 2.98Å
279	V	95.6	Very high	97	Very high	35 Å²	35	35.7 Å²	35.7	21%	0.212	17%	0.165	C	C	.	.	H	α-helix	trans	-78.4	-47.7	175.6	170.9	0	0	0	0	110.7	L214 F240 Y275 N276 L277	L214-V279 HydrophobicContact CD2-CG1 4.02Å; F240-V279 HydrophobicContact CD2-CB 4.33Å; F240-V279 HydrophobicContact CD2-CG1 4Å; F240-V279 HydrophobicContact CE2-CG1 4.31Å; F240-V279 HydrophobicContact CG-CG1 4.38Å; Y275-V279 HydrophobicContact CD1-CG2 4.3Å; Y275-V279 HydrophobicContact CE1-CG2 3.78Å; Y275-V279 HydrophobicContact CE2-CG2 4.23Å; Y275-V279 WeakPolarHBondContact O-CG2 3.39Å; Y275-V279 PolarHBondContact O-N 3.01Å; N276-V279 PolarHBondContact O-N 3.11Å; N276-V279 VanDerWaalsContact O-N 3.15Å; L277-V279 VanDerWaalsContact C-N 3.31Å; L277-V279 PolarHBondContact O-N 2.92Å
280	I	96	Very high	96.9	Very high	75 Å²	75	41.7 Å²	41.7	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-56.9	-177.5	-67.3	162.9	0	0	0	111.1	F240 N276 L277 Y295	F240-I280 HydrophobicContact CD2-CD1 4.48Å; F240-I280 HydrophobicContact CD2-CG1 4.17Å; F240-I280 HydrophobicContact CE2-CD1 4.23Å; F240-I280 HydrophobicContact CE2-CG1 3.74Å; N276-I280 HydrophobicContact CB-CD1 4.5Å; N276-I280 WeakPolarHBondContact O-CB 3.38Å; N276-I280 WeakPolarHBondContact O-CD1 3.22Å; N276-I280 VanDerWaalsContact O-CG1 3.24Å; N276-I280 WeakPolarHBondContact O-CG1 3.45Å; N276-I280 PolarHBondContact O-N 2.99Å; L277-I280 PolarHBondContact O-N 2.83Å; I280-Y295 HydrophobicContact CD1-CE2 3.97Å
281	H	96.7	Very high	96.9	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.477	21%	0.209	S	C	.	.	S	Bend	trans	-90	-1.6	-174	-58.3	-79.9	0	0	0	113.3	L277 K283 F286	L277-H281 PolarHBondContact O-CD2 2.88Å; L277-H281 PolarHBondContact O-N 2.74Å; H281-K283 HydrophobicContact CB-CG 4.16Å; H281-K283 PolarHBondContact O-N 2.92Å; H281-F286 HydrophobicContact CB-CE1 3.99Å; H281-F286 HydrophobicContact CB-CZ 4.25Å; H281-F286 AromaticContact CD2-CE1 3.88Å
282	K	94.9	Very high	96.9	Very high	172 Å²	172	43.9 Å²	43.9	75%	0.748	21%	0.207	S	C	*	.			trans	58.1	-3.5	178.9	-58.4	177.4	-177.4	176.4	0	116.1	S278 R349	S278-K282 VanDerWaalsContact O-CA 3.28Å; S278-K282 WeakPolarHBondContact O-CA 3.3Å; S278-K282 PolarHBondContact O-N 3.43Å; K282-R349 PolarHBondContact O-NH2 3.36Å
283	K	94.3	Very high	96.9	Very high	78 Å²	78	44.4 Å²	44.4	34%	0.339	21%	0.209	S	C	.	.			trans	-83	172.5	174.6	70.8	177.1	-175.8	167.2	0	113.4	H281 Y285 F286 E291 R349	H281-K283 HydrophobicContact CB-CG 4.16Å; H281-K283 PolarHBondContact O-N 2.92Å; K283-Y285 WeakPolarHBondContact CD-O 3.4Å; K283-Y285 WeakPolarHBondContact CE-O 3Å; K283-Y285 PolarHBondContact NZ-O 2.61Å; K283-F286 HydrophobicContact CD-CD1 4.47Å; K283-F286 HydrophobicContact CD-CE1 4Å; K283-F286 HydrophobicContact CD-CZ 4.19Å; K283-F286 HydrophobicContact CG-CE1 3.68Å; K283-F286 HydrophobicContact CG-CE2 4.03Å; K283-F286 HydrophobicContact CG-CZ 3.38Å; K283-E291 WeakPolarHBondContact CE-OE1 3.48Å; K283-E291 IonicContact NZ-OE1 2.99Å; K283-E291 PolarHBondContact NZ-OE1 2.89Å; K283-E291 IonicContact NZ-OE2 3.7Å; K283-E291 PolarHBondContact NZ-OE2 3.04Å; K283-R349 PolarHBondContact O-NH2 3.2Å
284	K	94.3	Very high	96.9	Very high	80 Å²	80	47.2 Å²	47.2	35%	0.348	23%	0.227	S	C	.	.	S	Bend	trans	-101	-34.7	-179	-174.9	171.9	-172.5	174.2	0	114.5	G345 L346 R347	K284-G345 WeakPolarHBondContact O-CA 3.32Å; K284-L346 WeakPolarHBondContact CE-O 3.22Å; K284-R347 PolarHBondContact NZ-O 2.9Å; K284-R347 VanDerWaalsContact NZ-O 3.09Å
285	Y	96.3	Very high	96.9	Very high	45 Å²	45	48.2 Å²	48.2	18%	0.176	23%	0.23	C	C	.	.			trans	-115.9	139.3	-172.7	-59.3	-81	0	0	0	111.8	K283 M332 I337 F344	K283-Y285 WeakPolarHBondContact CD-O 3.4Å; K283-Y285 WeakPolarHBondContact CE-O 3Å; K283-Y285 PolarHBondContact NZ-O 2.61Å; Y285-M332 HydrophobicContact CE1-CG 4.33Å; Y285-M332 HydrophobicContact CE1-SD 4.29Å; Y285-M332 PolarHBondContact OH-SD 3.33Å; Y285-I337 HydrophobicContact CD2-CD1 4.26Å; Y285-I337 HydrophobicContact CE1-CD1 3.93Å; Y285-I337 HydrophobicContact CE2-CD1 3.58Å; Y285-I337 VanDerWaalsContact CZ-CD1 3.4Å; Y285-F344 WeakPolarHBondContact CA-O 3.43Å
286	F	97.9	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.4	-177.6	-61.2	-91.1	0	0	0	109.7	L274 L277 H281 K283 E291 L343 F344	L274-F286 HydrophobicContact CD2-CB 4.09Å; L274-F286 HydrophobicContact CD2-CD2 3.96Å; L274-F286 HydrophobicContact CD2-CG 4.33Å; L277-F286 HydrophobicContact CB-CD1 3.84Å; L277-F286 HydrophobicContact CB-CD2 4.32Å; L277-F286 HydrophobicContact CB-CE1 3.57Å; L277-F286 HydrophobicContact CB-CE2 4.09Å; L277-F286 HydrophobicContact CB-CG 4.22Å; L277-F286 HydrophobicContact CB-CZ 3.73Å; L277-F286 HydrophobicContact CD1-CD1 4.14Å; L277-F286 HydrophobicContact CD1-CG 4.33Å; L277-F286 HydrophobicContact CD2-CE1 4.48Å; L277-F286 HydrophobicContact CG-CD1 4.41Å; L277-F286 HydrophobicContact CG-CE1 4.46Å; L277-F286 WeakPolarHBondContact O-CZ 3.44Å; H281-F286 HydrophobicContact CB-CE1 3.99Å; H281-F286 HydrophobicContact CB-CZ 4.25Å; H281-F286 AromaticContact CD2-CE1 3.88Å; K283-F286 HydrophobicContact CD-CD1 4.47Å; K283-F286 HydrophobicContact CD-CE1 4Å; K283-F286 HydrophobicContact CD-CZ 4.19Å; K283-F286 HydrophobicContact CG-CE1 3.68Å; K283-F286 HydrophobicContact CG-CE2 4.03Å; K283-F286 HydrophobicContact CG-CZ 3.38Å; F286-E291 VanDerWaalsContact CA-OE2 3.26Å; F286-E291 WeakPolarHBondContact CA-OE2 3.48Å; F286-E291 HydrophobicContact CB-CB 4.24Å; F286-E291 HydrophobicContact CD1-CB 4.43Å; F286-L343 CarbonylContact O-C 3.57Å; F286-L343 WeakPolarHBondContact O-CA 3.2Å; F286-F344 PolarHBondContact N-O 3.08Å; F286-F344 PolarHBondContact O-N 2.92Å
287	D	97.9	Very high	96.8	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.7	171	-165.6	-78.3	0	0	0	110.8	E289 L290 E291 L292 H342 L343	D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 2.86Å; D287-E289 PolarHBondContact OD1-N 3.08Å; D287-L290 HydrophobicContact CB-CB 4.11Å; D287-L290 PolarHBondContact OD1-N 3.42Å; D287-E291 HydrophobicContact CB-CB 4.4Å; D287-E291 HydrophobicContact CB-CG 4.12Å; D287-E291 PolarHBondContact N-OE2 2.89Å; D287-E291 PolarHBondContact O-N 3.15Å; D287-L292 PolarHBondContact O-N 2.69Å; D287-H342 IonicContact OD2-CD2 2.68Å; D287-H342 PolarHBondContact OD2-CD2 3.39Å; D287-H342 IonicContact OD2-CG 2.81Å; D287-H342 IonicContact OD2-NE2 2.76Å; D287-L343 HydrophobicContact CB-CD2 4.47Å
288	S	96.9	Very high	96.8	Very high	2 Å²	2	56 Å²	56	1%	0.014	27%	0.268	C	S	.	.	I	π-helix	trans	-60.9	-35	-177.8	54.7	0	0	0	0	112.9	M293 Y317 H342	S288-M293 WeakPolarHBondContact O-CG 3.41Å; S288-M293 PolarHBondContact O-N 3.38Å; S288-M293 VanDerWaalsContact O-N 3.07Å; S288-Y317 PolarHBondContact OG-OH 2.98Å; S288-H342 WeakPolarHBondContact CB-O 3.3Å; S288-H342 PolarHBondContact N-O 2.95Å; S288-H342 PolarHBondContact OG-O 2.57Å
289	E	95.3	Very high	96.8	Very high	108 Å²	108	57 Å²	57	51%	0.505	27%	0.273	S	S	.	.	I	π-helix	trans	-96.6	-53.2	-173.4	-151.8	167.1	136	0	0	110.8	D287 Y317	D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 2.86Å; D287-E289 PolarHBondContact OD1-N 3.08Å; E289-Y317 HydrophobicContact CB-CE1 4.33Å; E289-Y317 HydrophobicContact CB-CE2 4.42Å; E289-Y317 WeakPolarHBondContact CB-OH 3.23Å; E289-Y317 VanDerWaalsContact CD-CE1 3.49Å; E289-Y317 HydrophobicContact CG-CD1 4.32Å; E289-Y317 HydrophobicContact CG-CE1 3.65Å; E289-Y317 HydrophobicContact CG-CE2 4.43Å; E289-Y317 WeakPolarHBondContact OE2-CE1 3.32Å; E289-Y317 VanDerWaalsContact OE2-CZ 3.3Å; E289-Y317 PolarHBondContact OE2-OH 2.63Å
290	L	96.5	Very high	96.8	Very high	127 Å²	127	56.1 Å²	56.1	67%	0.665	27%	0.266	S	S	*	.	I	π-helix	trans	-79	-29	-169.8	-59.2	177.2	0	0	0	113.3	D287 T294	D287-L290 HydrophobicContact CB-CB 4.11Å; D287-L290 PolarHBondContact OD1-N 3.42Å; L290-T294 WeakPolarHBondContact O-CB 3.35Å; L290-T294 PolarHBondContact O-OG1 2.84Å
291	E	98	Very high	96.7	Very high	57 Å²	57	58.3 Å²	58.3	27%	0.266	28%	0.278	S	S	.	.	I	π-helix	trans	-109.6	-53.3	-179	-61.5	-172.6	97.5	0	0	111.8	K283 F286 D287 Y295	K283-E291 WeakPolarHBondContact CE-OE1 3.48Å; K283-E291 IonicContact NZ-OE1 2.99Å; K283-E291 PolarHBondContact NZ-OE1 2.89Å; K283-E291 IonicContact NZ-OE2 3.7Å; K283-E291 PolarHBondContact NZ-OE2 3.04Å; F286-E291 VanDerWaalsContact CA-OE2 3.26Å; F286-E291 WeakPolarHBondContact CA-OE2 3.48Å; F286-E291 HydrophobicContact CB-CB 4.24Å; F286-E291 HydrophobicContact CD1-CB 4.43Å; D287-E291 HydrophobicContact CB-CB 4.4Å; D287-E291 HydrophobicContact CB-CG 4.12Å; D287-E291 PolarHBondContact N-OE2 2.89Å; D287-E291 PolarHBondContact O-N 3.15Å; E291-Y295 WeakPolarHBondContact O-CB 3.33Å; E291-Y295 PolarHBondContact O-N 2.92Å
292	L	97.9	Very high	96.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.267	C	S	.	.	I	π-helix	trans	-73	-51.5	-173.5	179.4	63.2	0	0	0	112.6	C273 L274 L277 D287 T294 Y295 I296 V320 L324	C273-L292 HydrophobicContact CB-CD1 3.61Å; L274-L292 HydrophobicContact CD1-CD2 4.36Å; L274-L292 HydrophobicContact CD2-CD1 4.1Å; L274-L292 HydrophobicContact CD2-CD2 4.06Å; L274-L292 HydrophobicContact CG-CD1 3.94Å; L274-L292 HydrophobicContact CG-CD2 3.93Å; L277-L292 HydrophobicContact CD1-CB 4.41Å; L277-L292 HydrophobicContact CD1-CD1 3.96Å; D287-L292 PolarHBondContact O-N 2.69Å; L292-T294 VanDerWaalsContact C-N 3.31Å; L292-T294 PolarHBondContact O-N 3.14Å; L292-Y295 PolarHBondContact O-N 2.88Å; L292-I296 HydrophobicContact CD1-CD1 3.84Å; L292-I296 HydrophobicContact CD1-CG1 4.27Å; L292-I296 HydrophobicContact CG-CD1 3.81Å; L292-I296 WeakPolarHBondContact O-CB 3.32Å; L292-I296 WeakPolarHBondContact O-CG1 3.47Å; L292-I296 PolarHBondContact O-N 3.48Å; L292-V320 HydrophobicContact CD2-CG1 4.2Å; L292-L324 HydrophobicContact CD2-CD1 3.75Å; L292-L324 HydrophobicContact CD2-CD2 4.37Å
293	M	97.9	Very high	96.6	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.049	23%	0.232	C	C	.	.	I	π-helix	trans	-68.9	-27.6	177	-74.2	-45.6	-58.5	0	0	113.5	S288 I296 N297 R316 Y317 V320	S288-M293 WeakPolarHBondContact O-CG 3.41Å; S288-M293 PolarHBondContact O-N 3.38Å; S288-M293 VanDerWaalsContact O-N 3.07Å; M293-I296 HydrophobicContact CE-CB 4.25Å; M293-I296 HydrophobicContact CE-CG2 3.91Å; M293-I296 HydrophobicContact SD-CB 4.43Å; M293-I296 HydrophobicContact SD-CD1 3.78Å; M293-N297 WeakPolarHBondContact O-CB 3.3Å; M293-N297 PolarHBondContact O-N 3.26Å; M293-N297 PolarHBondContact O-ND2 2.88Å; M293-R316 HydrophobicContact CE-CB 3.7Å; M293-Y317 HydrophobicContact CG-CD2 3.35Å; M293-Y317 HydrophobicContact CG-CE2 4.04Å; M293-Y317 HydrophobicContact CG-CG 3.9Å; M293-Y317 HydrophobicContact SD-CD2 4.14Å; M293-V320 HydrophobicContact CE-CG2 4.43Å; M293-V320 HydrophobicContact SD-CB 3.7Å; M293-V320 HydrophobicContact SD-CG1 3.71Å; M293-V320 HydrophobicContact SD-CG2 3.82Å
294	T	98	Very high	96.5	Very high	60 Å²	60	46.6 Å²	46.6	37%	0.368	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-56.3	168	-58.5	0	0	0	0	110.1	L290 L292 I296 N297 E298	L290-T294 WeakPolarHBondContact O-CB 3.35Å; L290-T294 PolarHBondContact O-OG1 2.84Å; L292-T294 VanDerWaalsContact C-N 3.31Å; L292-T294 PolarHBondContact O-N 3.14Å; T294-I296 PolarHBondContact O-N 3.36Å; T294-N297 PolarHBondContact O-N 2.84Å; T294-E298 HydrophobicContact CG2-CG 4.46Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.47Å; T294-E298 WeakPolarHBondContact O-CB 3.36Å; T294-E298 WeakPolarHBondContact O-CG 3.14Å; T294-E298 PolarHBondContact O-N 3.48Å
295	Y	98.1	Very high	96.4	Very high	21 Å²	21	42.9 Å²	42.9	8%	0.082	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-44.2	179.2	-173.3	-89.4	0	0	0	113	L239 C273 N276 L277 I280 E291 L292 N297 N299 R302	L239-Y295 HydrophobicContact CD2-CE1 4.22Å; L239-Y295 WeakPolarHBondContact CD2-OH 3.41Å; C273-Y295 HydrophobicContact CB-CD1 3.88Å; C273-Y295 HydrophobicContact CB-CE1 4.22Å; N276-Y295 HydrophobicContact CB-CE1 3.97Å; N276-Y295 VanDerWaalsContact CB-OH 3.31Å; N276-Y295 WeakPolarHBondContact CB-OH 3.1Å; N276-Y295 PolarHBondContact OD1-OH 3.18Å; L277-Y295 HydrophobicContact CD1-CG 4.26Å; L277-Y295 HydrophobicContact CD2-CD2 3.6Å; L277-Y295 HydrophobicContact CD2-CE2 4.19Å; L277-Y295 HydrophobicContact CD2-CG 3.87Å; L277-Y295 HydrophobicContact CG-CD1 4.34Å; L277-Y295 HydrophobicContact CG-CD2 4.12Å; L277-Y295 HydrophobicContact CG-CG 3.99Å; I280-Y295 HydrophobicContact CD1-CE2 3.97Å; E291-Y295 WeakPolarHBondContact O-CB 3.33Å; E291-Y295 PolarHBondContact O-N 2.92Å; L292-Y295 PolarHBondContact O-N 2.88Å; Y295-N297 VanDerWaalsContact C-N 3.33Å; Y295-N297 PolarHBondContact O-N 2.85Å; Y295-N299 WeakPolarHBondContact CE1-OD1 3.27Å; Y295-N299 WeakPolarHBondContact CE2-OD1 3.41Å; Y295-N299 VanDerWaalsContact O-CB 3.27Å; Y295-N299 WeakPolarHBondContact O-CB 3.2Å; Y295-N299 PolarHBondContact O-N 3.45Å; Y295-N299 PolarHBondContact OH-OD1 2.87Å; Y295-R302 PolarHBondContact OH-NH2 2.91Å
296	I	98.3	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-43.4	177.2	-73.8	167.9	0	0	0	111	I269 C273 L292 M293 T294 N299 W300 L303 V320	I269-I296 HydrophobicContact CG2-CD1 4.22Å; I269-I296 HydrophobicContact CG2-CG1 4.3Å; I269-I296 HydrophobicContact CG2-CG2 4.3Å; C273-I296 HydrophobicContact CB-CD1 4.19Å; C273-I296 HydrophobicContact CB-CG1 3.69Å; C273-I296 VanDerWaalsContact SG-CG1 3.52Å; L292-I296 HydrophobicContact CD1-CD1 3.84Å; L292-I296 HydrophobicContact CD1-CG1 4.27Å; L292-I296 HydrophobicContact CG-CD1 3.81Å; L292-I296 WeakPolarHBondContact O-CB 3.32Å; L292-I296 WeakPolarHBondContact O-CG1 3.47Å; L292-I296 PolarHBondContact O-N 3.48Å; M293-I296 HydrophobicContact CE-CB 4.25Å; M293-I296 HydrophobicContact CE-CG2 3.91Å; M293-I296 HydrophobicContact SD-CB 4.43Å; M293-I296 HydrophobicContact SD-CD1 3.78Å; T294-I296 PolarHBondContact O-N 3.36Å; I296-N299 CarbonylContact O-C 3.53Å; I296-N299 PolarHBondContact O-N 3.08Å; I296-W300 HydrophobicContact CG2-CE3 3.64Å; I296-W300 HydrophobicContact CG2-CZ3 3.62Å; I296-W300 WeakPolarHBondContact O-CA 3.1Å; I296-W300 PolarHBondContact O-N 3.02Å; I296-L303 HydrophobicContact CG2-CD1 4.22Å; I296-V320 HydrophobicContact CD1-CG1 4.01Å; I296-V320 HydrophobicContact CD1-CG2 4.04Å
297	N	97.2	Very high	95.8	Very high	34 Å²	34	51.1 Å²	51.1	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-75.7	-39.1	-178.7	-79.4	-61.4	0	0	0	113.3	M293 T294 Y295 N299 W300 K313 R316	M293-N297 WeakPolarHBondContact O-CB 3.3Å; M293-N297 PolarHBondContact O-N 3.26Å; M293-N297 PolarHBondContact O-ND2 2.88Å; T294-N297 PolarHBondContact O-N 2.84Å; Y295-N297 VanDerWaalsContact C-N 3.33Å; Y295-N297 PolarHBondContact O-N 2.85Å; N297-N299 PolarHBondContact O-N 2.96Å; N297-W300 PolarHBondContact O-N 3.04Å; N297-K313 WeakPolarHBondContact OD1-CG 3.43Å; N297-R316 PolarHBondContact OD1-NH1 3.04Å
298	E	97.3	Very high	95.7	Very high	144 Å²	144	51.9 Å²	51.9	67%	0.673	26%	0.263	S	S	*	.	H	α-helix	trans	-64	-19.8	172.3	-72.7	178.8	177.5	0	0	112.7	T294	T294-E298 HydrophobicContact CG2-CG 4.46Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.47Å; T294-E298 WeakPolarHBondContact O-CB 3.36Å; T294-E298 WeakPolarHBondContact O-CG 3.14Å; T294-E298 PolarHBondContact O-N 3.48Å
299	N	96.9	Very high	95.6	Very high	24 Å²	24	53.5 Å²	53.5	13%	0.128	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	14.3	-177.6	-63.7	-179.2	0	0	0	113.2	Y295 I296 N297 D301 R302 L303	Y295-N299 WeakPolarHBondContact CE1-OD1 3.27Å; Y295-N299 WeakPolarHBondContact CE2-OD1 3.41Å; Y295-N299 VanDerWaalsContact O-CB 3.27Å; Y295-N299 WeakPolarHBondContact O-CB 3.2Å; Y295-N299 PolarHBondContact O-N 3.45Å; Y295-N299 PolarHBondContact OH-OD1 2.87Å; I296-N299 CarbonylContact O-C 3.53Å; I296-N299 PolarHBondContact O-N 3.08Å; N297-N299 PolarHBondContact O-N 2.96Å; N299-D301 PolarHBondContact O-N 3.19Å; N299-R302 HydrophobicContact CB-CB 4.39Å; N299-R302 CarbonylContact O-C 3.53Å; N299-R302 WeakPolarHBondContact O-CA 3.28Å; N299-R302 WeakPolarHBondContact O-CB 3.42Å; N299-R302 PolarHBondContact O-N 3.28Å; N299-R302 PolarHBondContact OD1-NH2 3.41Å; N299-L303 PolarHBondContact O-N 2.91Å
300	W	96.5	Very high	95.6	Very high	18 Å²	18	55.6 Å²	55.6	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-47.5	-174.2	-165.5	-108.3	0	0	0	112.6	W266 I269 I296 N297 R302 L303 H304 P305 L308 A309 R316	W266-W300 AromaticContact CH2-CH2 3.6Å; W266-W300 HydrophobicContact CH2-CH2 3.6Å; W266-W300 HydrophobicContact CH2-CZ2 4.28Å; W266-W300 AromaticContact CZ3-CH2 3.61Å; W266-W300 HydrophobicContact CZ3-CH2 3.61Å; W266-W300 HydrophobicContact CZ3-CZ3 4.17Å; I269-W300 HydrophobicContact CD1-CH2 4.2Å; I269-W300 HydrophobicContact CD1-CZ3 4.36Å; I269-W300 HydrophobicContact CG2-CZ3 4.44Å; I296-W300 HydrophobicContact CG2-CE3 3.64Å; I296-W300 HydrophobicContact CG2-CZ3 3.62Å; I296-W300 WeakPolarHBondContact O-CA 3.1Å; I296-W300 PolarHBondContact O-N 3.02Å; N297-W300 PolarHBondContact O-N 3.04Å; W300-R302 VanDerWaalsContact C-N 3.26Å; W300-R302 PolarHBondContact O-N 3.21Å; W300-L303 HydrophobicContact CE3-CD1 4.08Å; W300-L303 HydrophobicContact CZ3-CD1 4.43Å; W300-L303 WeakPolarHBondContact O-CB 3.35Å; W300-L303 PolarHBondContact O-N 3.26Å; W300-H304 PolarHBondContact O-N 2.63Å; W300-P305 HydrophobicContact CZ2-CG 4.35Å; W300-L308 VanDerWaalsContact CZ2-O 3.31Å; W300-L308 WeakPolarHBondContact CZ2-O 3.48Å; W300-A309 PolarHBondContact NE1-O 2.86Å; W300-R316 VanDerWaalsContact CE2-CZ 3.48Å; W300-R316 HydrophobicContact CH2-CG 4.08Å; W300-R316 HydrophobicContact CZ2-CG 4.21Å; W300-R316 HydrophobicContact CZ3-CG 4.43Å; W300-R316 VanDerWaalsContact NE1-NH2 3.19Å
301	D	94.2	Very high	95.5	Very high	121 Å²	121	50.6 Å²	50.6	65%	0.647	27%	0.267	S	S	*	.	H	α-helix	trans	-59.8	-37.6	173.9	-73.2	-61.1	0	0	0	112.5	K236 N299 H304	K236-D301 WeakPolarHBondContact CD-O 3.39Å; K236-D301 WeakPolarHBondContact CE-O 3.2Å; K236-D301 PolarHBondContact NZ-O 3.21Å; N299-D301 PolarHBondContact O-N 3.19Å; D301-H304 PolarHBondContact O-N 2.94Å
302	R	94.6	Very high	95.5	Very high	65 Å²	65	50.7 Å²	50.7	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-74.7	-32.7	-179.1	-175.4	169.3	71.6	167.2	1.4	112.6	P237 L239 Y295 N299 W300 H304	P237-R302 VanDerWaalsContact O-CD 3.29Å; P237-R302 WeakPolarHBondContact O-CD 3.47Å; P237-R302 WeakPolarHBondContact O-CG 3.45Å; L239-R302 HydrophobicContact CG-CG 4.5Å; Y295-R302 PolarHBondContact OH-NH2 2.91Å; N299-R302 HydrophobicContact CB-CB 4.39Å; N299-R302 CarbonylContact O-C 3.53Å; N299-R302 WeakPolarHBondContact O-CA 3.28Å; N299-R302 WeakPolarHBondContact O-CB 3.42Å; N299-R302 PolarHBondContact O-N 3.28Å; N299-R302 PolarHBondContact OD1-NH2 3.41Å; W300-R302 VanDerWaalsContact C-N 3.26Å; W300-R302 PolarHBondContact O-N 3.21Å; R302-H304 PolarHBondContact O-N 2.94Å; R302-H304 PolarHBondContact O-ND1 2.75Å
303	L	94.5	Very high	95.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-31.8	174	-83.8	161.9	0	0	0	112.1	L239 R261 I269 L272 I296 N299 W300	L239-L303 HydrophobicContact CD1-CD2 3.51Å; L239-L303 HydrophobicContact CD1-CG 3.98Å; R261-L303 PolarHBondContact NH2-O 3.4Å; I269-L303 HydrophobicContact CG2-CD1 4.1Å; I269-L303 HydrophobicContact CG2-CD2 4.5Å; L272-L303 HydrophobicContact CD2-CD2 4.07Å; I296-L303 HydrophobicContact CG2-CD1 4.22Å; N299-L303 PolarHBondContact O-N 2.91Å; W300-L303 HydrophobicContact CE3-CD1 4.08Å; W300-L303 HydrophobicContact CZ3-CD1 4.43Å; W300-L303 WeakPolarHBondContact O-CB 3.35Å; W300-L303 PolarHBondContact O-N 3.26Å
304	H	92.3	Very high	95.2	Very high	42 Å²	42	61.6 Å²	61.6	19%	0.194	33%	0.331	C	S	.	.			trans	32.5	63.2	-179.6	53	17.7	0	0	0	112.4	D242 Y245 R261 W300 D301 R302 G306	D242-H304 IonicContact OD2-NE2 2.83Å; Y245-H304 AromaticContact CE1-NE2 3.6Å; Y245-H304 AromaticContact CZ-NE2 3.12Å; Y245-H304 PolarHBondContact OH-NE2 3.27Å; R261-H304 WeakPolarHBondContact CG-O 3.46Å; R261-H304 PolarHBondContact NE-CE1 3Å; R261-H304 PolarHBondContact NE-ND1 2.79Å; R261-H304 PolarHBondContact NE-NE2 2.89Å; R261-H304 VanDerWaalsContact NE-NE2 3.19Å; R261-H304 PolarHBondContact NE-O 2.82Å; R261-H304 PolarHBondContact NH1-NE2 3.2Å; R261-H304 PolarHBondContact NH2-CE1 3.38Å; R261-H304 PolarHBondContact NH2-ND1 2.59Å; R261-H304 PolarHBondContact NH2-NE2 3.02Å; W300-H304 PolarHBondContact O-N 2.63Å; D301-H304 PolarHBondContact O-N 2.94Å; R302-H304 PolarHBondContact O-N 2.94Å; R302-H304 PolarHBondContact O-ND1 2.75Å; H304-G306 PolarHBondContact O-N 2.84Å
305	P	91.3	Very high	95.1	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	33%	0.333	C	S	.	.			trans	-74.9	-4.7	-163.6	30.7	-37.1	0	0	0	114.7	L264 I269 W300 L308 A309	L264-P305 HydrophobicContact CB-CB 4.08Å; L264-P305 PolarHBondContact N-O 3.14Å; I269-P305 HydrophobicContact CD1-CB 3.86Å; I269-P305 HydrophobicContact CD1-CG 4.42Å; I269-P305 HydrophobicContact CG1-CB 4.4Å; W300-P305 HydrophobicContact CZ2-CG 4.35Å; P305-L308 HydrophobicContact CB-CB 4.23Å; P305-L308 HydrophobicContact CG-CB 4.09Å; P305-A309 HydrophobicContact CG-CB 4.21Å
306	G	91.3	Very high	95.1	Very high	40 Å²	40	63.3 Å²	63.3	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	92.8	-129.7	-173.1	0	0	0	0	0	110.6	H304 L308 A309	H304-G306 PolarHBondContact O-N 2.84Å; G306-L308 PolarHBondContact O-N 2.84Å; G306-A309 WeakPolarHBondContact O-CB 3.18Å; G306-A309 PolarHBondContact O-N 3.18Å
307	E	91.1	Very high	95	Very high	179 Å²	179	66.1 Å²	66.1	84%	0.836	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-57.2	-29.8	-175.9	-68.9	155	-155	0	0	113.6	A309	E307-A309 PolarHBondContact O-N 3.4Å
308	L	95.1	Very high	95	Very high	35 Å²	35	70.3 Å²	70.3	18%	0.183	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-72.3	-8.5	176.1	-57.8	-178.3	0	0	0	114	L264 W266 I269 W300 P305 G306 D310 T311	L264-L308 VanDerWaalsContact O-CD1 3.3Å; L264-L308 WeakPolarHBondContact O-CD1 3.39Å; W266-L308 HydrophobicContact CD2-CD1 3.97Å; W266-L308 HydrophobicContact CG-CD1 4.11Å; W266-L308 HydrophobicContact CZ2-CB 4.36Å; W266-L308 HydrophobicContact CZ2-CD1 4.29Å; W266-L308 HydrophobicContact CZ2-CD2 4.14Å; I269-L308 HydrophobicContact CD1-CD1 3.9Å; W300-L308 VanDerWaalsContact CZ2-O 3.31Å; W300-L308 WeakPolarHBondContact CZ2-O 3.48Å; P305-L308 HydrophobicContact CB-CB 4.23Å; P305-L308 HydrophobicContact CG-CB 4.09Å; G306-L308 PolarHBondContact O-N 2.84Å; L308-D310 PolarHBondContact O-N 3.35Å; L308-T311 PolarHBondContact O-N 3.2Å; L308-T311 PolarHBondContact O-OG1 2.9Å
309	A	94.7	Very high	95.1	Very high	37 Å²	37	66.3 Å²	66.3	31%	0.306	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-61.6	-31.2	-172.1	0	0	0	0	0	113.3	W300 P305 G306 E307 T311	W300-A309 PolarHBondContact NE1-O 2.86Å; P305-A309 HydrophobicContact CG-CB 4.21Å; G306-A309 WeakPolarHBondContact O-CB 3.18Å; G306-A309 PolarHBondContact O-N 3.18Å; E307-A309 PolarHBondContact O-N 3.4Å; A309-T311 VanDerWaalsContact C-N 3.32Å; A309-T311 PolarHBondContact O-N 3.05Å
310	D	94.9	Very high	95.1	Very high	151 Å²	151	65.2 Å²	65.2	81%	0.807	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-81.3	-6.4	-176.1	-62.4	-32.3	0	0	0	113.6	L308 P312	L308-D310 PolarHBondContact O-N 3.35Å; D310-P312 WeakPolarHBondContact O-CD 3.25Å
311	T	96.4	Very high	95.1	Very high	23 Å²	23	67 Å²	67	14%	0.141	35%	0.35	C	S	.	.			trans	-58.1	125.3	-179.8	-58.7	0	0	0	0	111.7	W266 L308 A309 E315 R316	W266-T311 HydrophobicContact CH2-CG2 3.93Å; W266-T311 HydrophobicContact CZ2-CG2 3.91Å; L308-T311 PolarHBondContact O-N 3.2Å; L308-T311 PolarHBondContact O-OG1 2.9Å; A309-T311 VanDerWaalsContact C-N 3.32Å; A309-T311 PolarHBondContact O-N 3.05Å; T311-E315 HydrophobicContact CG2-CB 4.01Å; T311-R316 HydrophobicContact CG2-CG 3.99Å; T311-R316 VanDerWaalsContact O-CZ 3.29Å; T311-R316 PolarHBondContact O-NE 3.34Å; T311-R316 PolarHBondContact O-NH2 2.81Å
312	P	96.3	Very high	95.2	Very high	58 Å²	58	65.8 Å²	65.8	38%	0.377	34%	0.34	S	S	.	.			trans	-53.2	142.4	175.9	-29.5	36.2	0	0	0	114	D310 S314 E315 R316	D310-P312 WeakPolarHBondContact O-CD 3.25Å; P312-S314 PolarHBondContact O-N 3.36Å; P312-S314 VanDerWaalsContact O-N 3.1Å; P312-E315 WeakPolarHBondContact CB-OE1 3.49Å; P312-E315 VanDerWaalsContact CD-OE2 3.31Å; P312-E315 WeakPolarHBondContact CD-OE2 3.46Å; P312-E315 WeakPolarHBondContact CG-OE1 3.48Å; P312-E315 PolarHBondContact O-N 2.96Å; P312-R316 WeakPolarHBondContact O-CG 3.22Å; P312-R316 PolarHBondContact O-N 3.3Å
313	K	95.3	Very high	95.3	Very high	143 Å²	143	63 Å²	63	62%	0.622	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.1	-175.3	177.5	167.6	177.9	-179.3	0	114	N297	N297-K313 WeakPolarHBondContact OD1-CG 3.43Å
314	S	94.8	Very high	95.5	Very high	97 Å²	97	63.1 Å²	63.1	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-45	174.6	35.6	0	0	0	0	113.2	P312	P312-S314 PolarHBondContact O-N 3.36Å; P312-S314 VanDerWaalsContact O-N 3.1Å
315	E	96.3	Very high	95.6	Very high	86 Å²	86	63.8 Å²	63.8	40%	0.402	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-25.7	-171.2	-70.7	148.3	-133.8	0	0	112.6	T311 P312 Y317 E318	T311-E315 HydrophobicContact CG2-CB 4.01Å; P312-E315 WeakPolarHBondContact CB-OE1 3.49Å; P312-E315 VanDerWaalsContact CD-OE2 3.31Å; P312-E315 WeakPolarHBondContact CD-OE2 3.46Å; P312-E315 WeakPolarHBondContact CG-OE1 3.48Å; P312-E315 PolarHBondContact O-N 2.96Å; E315-Y317 PolarHBondContact O-N 2.98Å; E315-E318 WeakPolarHBondContact O-CB 3.5Å; E315-E318 PolarHBondContact O-N 3.25Å
316	R	97.1	Very high	95.8	Very high	32 Å²	32	69.2 Å²	69.2	12%	0.121	37%	0.366	C	S	.	.	H	α-helix	trans	-54.6	-31.8	-177.6	-63.6	171.8	-164.8	174	-4.1	114.3	W266 M293 N297 W300 T311 P312 V320	W266-R316 HydrophobicContact CH2-CB 4.3Å; W266-R316 HydrophobicContact CH2-CG 4.05Å; W266-R316 HydrophobicContact CZ3-CB 4.32Å; W266-R316 HydrophobicContact CZ3-CG 4.44Å; M293-R316 HydrophobicContact CE-CB 3.7Å; N297-R316 PolarHBondContact OD1-NH1 3.04Å; W300-R316 VanDerWaalsContact CE2-CZ 3.48Å; W300-R316 HydrophobicContact CH2-CG 4.08Å; W300-R316 HydrophobicContact CZ2-CG 4.21Å; W300-R316 HydrophobicContact CZ3-CG 4.43Å; W300-R316 VanDerWaalsContact NE1-NH2 3.19Å; T311-R316 HydrophobicContact CG2-CG 3.99Å; T311-R316 VanDerWaalsContact O-CZ 3.29Å; T311-R316 PolarHBondContact O-NE 3.34Å; T311-R316 PolarHBondContact O-NH2 2.81Å; P312-R316 WeakPolarHBondContact O-CG 3.22Å; P312-R316 PolarHBondContact O-N 3.3Å; R316-V320 WeakPolarHBondContact O-CB 3.33Å; R316-V320 WeakPolarHBondContact O-CG2 3.49Å; R316-V320 PolarHBondContact O-N 2.97Å
317	Y	97.8	Very high	95.9	Very high	58 Å²	58	72.9 Å²	72.9	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-72.9	-35.7	-178.8	-179.2	-148.2	0	0	0	112	S288 E289 M293 E315 V320 L321	S288-Y317 PolarHBondContact OG-OH 2.98Å; E289-Y317 HydrophobicContact CB-CE1 4.33Å; E289-Y317 HydrophobicContact CB-CE2 4.42Å; E289-Y317 WeakPolarHBondContact CB-OH 3.23Å; E289-Y317 VanDerWaalsContact CD-CE1 3.49Å; E289-Y317 HydrophobicContact CG-CD1 4.32Å; E289-Y317 HydrophobicContact CG-CE1 3.65Å; E289-Y317 HydrophobicContact CG-CE2 4.43Å; E289-Y317 WeakPolarHBondContact OE2-CE1 3.32Å; E289-Y317 VanDerWaalsContact OE2-CZ 3.3Å; E289-Y317 PolarHBondContact OE2-OH 2.63Å; M293-Y317 HydrophobicContact CG-CD2 3.35Å; M293-Y317 HydrophobicContact CG-CE2 4.04Å; M293-Y317 HydrophobicContact CG-CG 3.9Å; M293-Y317 HydrophobicContact SD-CD2 4.14Å; E315-Y317 PolarHBondContact O-N 2.98Å; Y317-V320 PolarHBondContact O-N 3.46Å; Y317-L321 HydrophobicContact CD2-CB 4.33Å; Y317-L321 HydrophobicContact CE2-CB 4.23Å; Y317-L321 HydrophobicContact CE2-CD2 4.4Å; Y317-L321 WeakPolarHBondContact O-CB 3.37Å; Y317-L321 PolarHBondContact O-N 3.36Å
318	E	97.3	Very high	96	Very high	123 Å²	123	71.3 Å²	71.3	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-59.7	-57.4	178.8	-168.4	163.8	-168.6	0	0	109.8	E315 V320 L321 E322	E315-E318 WeakPolarHBondContact O-CB 3.5Å; E315-E318 PolarHBondContact O-N 3.25Å; E318-V320 VanDerWaalsContact C-N 3.35Å; E318-V320 PolarHBondContact O-N 3.44Å; E318-L321 CarbonylContact O-C 3.57Å; E318-L321 PolarHBondContact O-N 2.94Å; E318-E322 WeakPolarHBondContact O-CG 3.4Å; E318-E322 PolarHBondContact O-N 3.13Å
319	H	97.6	Very high	95.8	Very high	60 Å²	60	75 Å²	75	28%	0.278	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-32.3	179.3	-58.6	-36.8	0	0	0	115.1	W266 E322 A323	W266-H319 HydrophobicContact CB-CB 4.46Å; W266-H319 HydrophobicContact CD2-CB 3.47Å; W266-H319 VanDerWaalsContact CD2-CB 3.47Å; W266-H319 AromaticContact CE2-CD2 3.66Å; W266-H319 AromaticContact CE2-CG 3.87Å; W266-H319 HydrophobicContact CE3-CB 3.96Å; W266-H319 HydrophobicContact CG-CB 3.69Å; W266-H319 HydrophobicContact CZ2-CB 4.09Å; W266-H319 AromaticContact CZ2-CD2 3.63Å; W266-H319 HydrophobicContact CZ3-CB 4.44Å; W266-H319 AromaticContact NE1-CD2 3.68Å; W266-H319 AromaticContact NE1-CG 3.77Å; H319-E322 WeakPolarHBondContact CA-OE2 3.46Å; H319-E322 IonicContact CE1-OE2 3.68Å; H319-E322 IonicContact CG-OE2 3.71Å; H319-E322 IonicContact ND1-OE2 2.77Å; H319-E322 PolarHBondContact ND1-OE2 3.44Å; H319-A323 VanDerWaalsContact O-CB 3.3Å; H319-A323 WeakPolarHBondContact O-CB 3.42Å; H319-A323 PolarHBondContact O-N 2.7Å; H319-A323 VanDerWaalsContact O-N 3.08Å
320	V	97.8	Very high	95.8	Very high	1 Å²	1	76 Å²	76	1%	0.006	38%	0.382	C	S	.	.	H	α-helix	trans	-70.4	-39	172.7	169.9	0	0	0	0	110.7	W266 A270 L292 M293 I296 R316 Y317 E318 L324	W266-V320 HydrophobicContact CE3-CG2 3.78Å; W266-V320 HydrophobicContact CZ3-CG2 4.04Å; A270-V320 HydrophobicContact CB-CG1 4.3Å; L292-V320 HydrophobicContact CD2-CG1 4.2Å; M293-V320 HydrophobicContact CE-CG2 4.43Å; M293-V320 HydrophobicContact SD-CB 3.7Å; M293-V320 HydrophobicContact SD-CG1 3.71Å; M293-V320 HydrophobicContact SD-CG2 3.82Å; I296-V320 HydrophobicContact CD1-CG1 4.01Å; I296-V320 HydrophobicContact CD1-CG2 4.04Å; R316-V320 WeakPolarHBondContact O-CB 3.33Å; R316-V320 WeakPolarHBondContact O-CG2 3.49Å; R316-V320 PolarHBondContact O-N 2.97Å; Y317-V320 PolarHBondContact O-N 3.46Å; E318-V320 VanDerWaalsContact C-N 3.35Å; E318-V320 PolarHBondContact O-N 3.44Å; V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 HydrophobicContact CG1-CG 4.43Å; V320-L324 WeakPolarHBondContact O-CB 3.3Å; V320-L324 WeakPolarHBondContact O-CD1 3.39Å; V320-L324 WeakPolarHBondContact O-CG 3.31Å; V320-L324 PolarHBondContact O-N 3.47Å
321	L	97	Very high	95.8	Very high	55 Å²	55	68.9 Å²	68.9	29%	0.288	34%	0.344	S	S	.	.	H	α-helix	trans	-70.9	-37.6	178.3	-173.5	61.4	0	0	0	112	Y317 E318 L324 N325 F344	Y317-L321 HydrophobicContact CD2-CB 4.33Å; Y317-L321 HydrophobicContact CE2-CB 4.23Å; Y317-L321 HydrophobicContact CE2-CD2 4.4Å; Y317-L321 WeakPolarHBondContact O-CB 3.37Å; Y317-L321 PolarHBondContact O-N 3.36Å; E318-L321 CarbonylContact O-C 3.57Å; E318-L321 PolarHBondContact O-N 2.94Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-N325 WeakPolarHBondContact CD1-ND2 3.29Å; L321-N325 PolarHBondContact O-N 2.82Å; L321-N325 VanDerWaalsContact O-N 3.16Å; L321-N325 PolarHBondContact O-ND2 3.36Å; L321-F344 HydrophobicContact CD1-CE2 4.16Å; L321-F344 HydrophobicContact CD1-CZ 4.46Å
322	E	96.9	Very high	95.8	Very high	95 Å²	95	69.2 Å²	69.2	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-55.8	-58.6	168.8	-70	175.1	133.8	0	0	110.1	E318 H319 L324 N325 D326	E318-E322 WeakPolarHBondContact O-CG 3.4Å; E318-E322 PolarHBondContact O-N 3.13Å; H319-E322 WeakPolarHBondContact CA-OE2 3.46Å; H319-E322 IonicContact CE1-OE2 3.68Å; H319-E322 IonicContact CG-OE2 3.71Å; H319-E322 IonicContact ND1-OE2 2.77Å; H319-E322 PolarHBondContact ND1-OE2 3.44Å; E322-L324 VanDerWaalsContact C-N 3.25Å; E322-L324 PolarHBondContact O-N 3.44Å; E322-L324 VanDerWaalsContact O-N 3.14Å; E322-N325 PolarHBondContact O-N 2.9Å; E322-D326 PolarHBondContact O-N 2.97Å
323	A	96.9	Very high	95.8	Very high	7 Å²	7	67 Å²	67	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-53.5	-38.8	179.3	0	0	0	0	0	113.6	W266 V267 H319 Y327 F331	W266-A323 HydrophobicContact CB-CB 4.19Å; V267-A323 HydrophobicContact CG1-CB 3.76Å; H319-A323 VanDerWaalsContact O-CB 3.3Å; H319-A323 WeakPolarHBondContact O-CB 3.42Å; H319-A323 PolarHBondContact O-N 2.7Å; H319-A323 VanDerWaalsContact O-N 3.08Å; A323-Y327 PolarHBondContact O-N 3.04Å; A323-F331 WeakPolarHBondContact O-CD2 3.26Å; A323-F331 WeakPolarHBondContact O-CE2 3.37Å
324	L	96.8	Very high	95.6	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-69.7	-30.8	176.9	-74.4	170.1	0	0	0	114.2	A270 L274 L292 V320 L321 E322 F331 F344	A270-L324 HydrophobicContact CB-CD2 4.21Å; A270-L324 HydrophobicContact CB-CG 4.37Å; L274-L324 HydrophobicContact CD1-CD2 3.63Å; L292-L324 HydrophobicContact CD2-CD1 3.75Å; L292-L324 HydrophobicContact CD2-CD2 4.37Å; V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 HydrophobicContact CG1-CG 4.43Å; V320-L324 WeakPolarHBondContact O-CB 3.3Å; V320-L324 WeakPolarHBondContact O-CD1 3.39Å; V320-L324 WeakPolarHBondContact O-CG 3.31Å; V320-L324 PolarHBondContact O-N 3.47Å; L321-L324 PolarHBondContact O-N 3.42Å; E322-L324 VanDerWaalsContact C-N 3.25Å; E322-L324 PolarHBondContact O-N 3.44Å; E322-L324 VanDerWaalsContact O-N 3.14Å; L324-F331 HydrophobicContact CD2-CB 4.41Å; L324-F331 HydrophobicContact CD2-CD1 3.68Å; L324-F331 HydrophobicContact CD2-CD2 4.19Å; L324-F331 HydrophobicContact CD2-CE1 3.94Å; L324-F331 HydrophobicContact CD2-CE2 4.41Å; L324-F331 HydrophobicContact CD2-CG 3.82Å; L324-F331 HydrophobicContact CD2-CZ 4.3Å; L324-F344 HydrophobicContact CB-CD1 3.94Å; L324-F344 HydrophobicContact CB-CE1 3.81Å; L324-F344 HydrophobicContact CB-CE2 4.49Å; L324-F344 HydrophobicContact CB-CG 4.33Å; L324-F344 HydrophobicContact CB-CZ 4.1Å; L324-F344 HydrophobicContact CD1-CD2 4.13Å; L324-F344 HydrophobicContact CD1-CE2 4.48Å; L324-F344 HydrophobicContact CD1-CG 4.18Å; L324-F344 HydrophobicContact CD2-CB 4.16Å; L324-F344 HydrophobicContact CD2-CD1 4.17Å; L324-F344 HydrophobicContact CD2-CG 4.2Å; L324-F344 HydrophobicContact CG-CD1 4.47Å; L324-F344 HydrophobicContact CG-CG 4.49Å; L324-F344 WeakPolarHBondContact O-CE1 3.5Å
325	N	95.2	Very high	95.5	Very high	55 Å²	55	61.7 Å²	61.7	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-88.2	-31	179.9	-77	-81.3	0	0	0	112.6	L321 E322 K328	L321-N325 WeakPolarHBondContact CD1-ND2 3.29Å; L321-N325 PolarHBondContact O-N 2.82Å; L321-N325 VanDerWaalsContact O-N 3.16Å; L321-N325 PolarHBondContact O-ND2 3.36Å; E322-N325 PolarHBondContact O-N 2.9Å; N325-K328 WeakPolarHBondContact O-CE 3.5Å; N325-K328 VanDerWaalsContact O-CG 3.24Å; N325-K328 WeakPolarHBondContact O-CG 3.45Å
326	D	95.8	Very high	95.3	Very high	116 Å²	116	62.2 Å²	62.2	62%	0.62	30%	0.297	S	S	*	.	H	α-helix	trans	-80.1	-47.5	-177.4	-69.2	-18.9	0	0	0	112.3	E322 K328	E322-D326 PolarHBondContact O-N 2.97Å; D326-K328 PolarHBondContact O-N 3.37Å
327	Y	93.6	Very high	94.9	Very high	117 Å²	117	63.7 Å²	63.7	46%	0.459	31%	0.307	S	S	.	.			trans	-81.2	57	-177.8	-89.2	-98	0	0	0	112.9	V267 A323 T329 M330 F331	V267-Y327 HydrophobicContact CG1-CD2 3.42Å; V267-Y327 VanDerWaalsContact CG1-CD2 3.42Å; V267-Y327 HydrophobicContact CG1-CE2 3.72Å; V267-Y327 HydrophobicContact CG1-CG 3.94Å; A323-Y327 PolarHBondContact O-N 3.04Å; Y327-T329 PolarHBondContact O-N 3.13Å; Y327-M330 HydrophobicContact CD1-CE 3.55Å; Y327-M330 HydrophobicContact CE1-CE 4.13Å; Y327-M330 HydrophobicContact CG-CE 4.2Å; Y327-M330 PolarHBondContact O-N 3.11Å; Y327-F331 WeakPolarHBondContact O-CD2 3.12Å; Y327-F331 PolarHBondContact O-N 2.74Å
328	K	92.8	Very high	94.6	Very high	146 Å²	146	70.9 Å²	70.9	64%	0.635	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.4	178	-61.7	174.5	-171	163.7	0	113.6	N325 D326 F331 R347	N325-K328 WeakPolarHBondContact O-CE 3.5Å; N325-K328 VanDerWaalsContact O-CG 3.24Å; N325-K328 WeakPolarHBondContact O-CG 3.45Å; D326-K328 PolarHBondContact O-N 3.37Å; K328-F331 CarbonylContact C-O 3.5Å; K328-F331 VanDerWaalsContact O-O 3.08Å; K328-R347 PolarHBondContact O-NE 3.02Å; K328-R347 PolarHBondContact O-NH2 2.82Å
329	T	91.4	Very high	94.4	Very high	111 Å²	111	70.9 Å²	70.9	68%	0.681	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-36.3	172.8	49.9	0	0	0	0	112.4	Y327 R347	Y327-T329 PolarHBondContact O-N 3.13Å; T329-R347 WeakPolarHBondContact O-CD 3.28Å
330	M	93.3	Very high	94.1	Very high	59 Å²	59	74.7 Å²	74.7	29%	0.291	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-38.9	-178.4	-60	-159.5	-77.5	0	0	112	H271 Y327 L346 R347	H271-M330 PolarHBondContact ND1-SD 2.96Å; Y327-M330 HydrophobicContact CD1-CE 3.55Å; Y327-M330 HydrophobicContact CE1-CE 4.13Å; Y327-M330 HydrophobicContact CG-CE 4.2Å; Y327-M330 PolarHBondContact O-N 3.11Å; M330-L346 WeakPolarHBondContact O-CA 3.47Å; M330-R347 PolarHBondContact O-N 3.25Å
331	F	96.4	Very high	93.8	Very high	2 Å²	2	81.9 Å²	81.9	1%	0.009	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.5	-177.1	-52.8	-60.8	0	0	0	112.5	A270 H271 L274 A323 L324 Y327 K328 L346 R347	A270-F331 HydrophobicContact CB-CE1 4.33Å; A270-F331 HydrophobicContact CB-CZ 3.83Å; H271-F331 HydrophobicContact CB-CE1 4.13Å; H271-F331 HydrophobicContact CB-CZ 4.04Å; L274-F331 HydrophobicContact CD1-CD1 3.78Å; L274-F331 HydrophobicContact CD1-CE1 3.9Å; A323-F331 WeakPolarHBondContact O-CD2 3.26Å; A323-F331 WeakPolarHBondContact O-CE2 3.37Å; L324-F331 HydrophobicContact CD2-CB 4.41Å; L324-F331 HydrophobicContact CD2-CD1 3.68Å; L324-F331 HydrophobicContact CD2-CD2 4.19Å; L324-F331 HydrophobicContact CD2-CE1 3.94Å; L324-F331 HydrophobicContact CD2-CE2 4.41Å; L324-F331 HydrophobicContact CD2-CG 3.82Å; L324-F331 HydrophobicContact CD2-CZ 4.3Å; Y327-F331 WeakPolarHBondContact O-CD2 3.12Å; Y327-F331 PolarHBondContact O-N 2.74Å; K328-F331 CarbonylContact C-O 3.5Å; K328-F331 VanDerWaalsContact O-O 3.08Å; F331-L346 HydrophobicContact CD1-CD2 3.99Å; F331-L346 HydrophobicContact CE1-CD2 3.83Å; F331-R347 PolarHBondContact O-NE 3.46Å; F331-R347 PolarHBondContact O-NH2 3.35Å
332	M	95.6	Very high	93.6	Very high	30 Å²	30	82.3 Å²	82.3	15%	0.148	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.8	175.1	-173.5	175.9	-84.6	0	0	109	Y285 E336 I337 F344 G345 R347	Y285-M332 HydrophobicContact CE1-CG 4.33Å; Y285-M332 HydrophobicContact CE1-SD 4.29Å; Y285-M332 PolarHBondContact OH-SD 3.33Å; M332-E336 WeakPolarHBondContact CA-OE1 3.4Å; M332-I337 HydrophobicContact SD-CG2 4.4Å; M332-F344 WeakPolarHBondContact O-CA 3.34Å; M332-G345 PolarHBondContact N-O 3.08Å; M332-G345 PolarHBondContact O-N 2.86Å; M332-G345 VanDerWaalsContact O-N 3.1Å; M332-R347 HydrophobicContact CB-CG 4.17Å; M332-R347 HydrophobicContact CE-CG 4.26Å; M332-R347 VanDerWaalsContact CE-NH1 3.26Å
333	S	95.8	Very high	93.6	Very high	12 Å²	12	79.4 Å²	79.4	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.6	175.5	-179	0	0	0	0	110.6	K335 E336 K341 L343	S333-K335 PolarHBondContact O-N 3.06Å; S333-K335 PolarHBondContact OG-N 3.14Å; S333-E336 PolarHBondContact N-OE1 2.93Å; S333-E336 WeakPolarHBondContact O-CB 3.45Å; S333-E336 PolarHBondContact O-N 3.21Å; S333-K341 PolarHBondContact OG-O 2.94Å; S333-L343 CarbonylContact C-O 3.57Å
334	G	92.1	Very high	93.7	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-54	-26.6	173.1	0	0	0	0	0	113.3	E336 I337 K338 K339 L343	G334-E336 VanDerWaalsContact C-N 3.25Å; G334-E336 PolarHBondContact O-N 3.16Å; G334-I337 CarbonylContact O-C 3.5Å; G334-I337 WeakPolarHBondContact O-CG1 3.41Å; G334-I337 PolarHBondContact O-N 2.83Å; G334-I337 VanDerWaalsContact O-N 3.15Å; G334-K338 PolarHBondContact O-N 3.41Å; G334-K339 CarbonylContact C-O 3.53Å; G334-K339 CarbonylContact O-C 3.46Å; G334-K339 WeakPolarHBondContact O-CA 3.35Å; G334-K339 PolarHBondContact O-N 2.94Å; G334-L343 PolarHBondContact N-O 2.88Å
335	K	91.7	Very high	93.7	Very high	128 Å²	128	79.1 Å²	79.1	56%	0.557	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-51.4	-44.3	173.1	-63.2	179	-171.4	169	0	112.1	S333 I337 K338 K341	S333-K335 PolarHBondContact O-N 3.06Å; S333-K335 PolarHBondContact OG-N 3.14Å; K335-I337 PolarHBondContact O-N 2.92Å; K335-K338 PolarHBondContact O-N 3.24Å; K335-K341 HydrophobicContact CD-CB 4.37Å; K335-K341 HydrophobicContact CG-CB 3.83Å
336	E	92.3	Very high	93.7	Very high	97 Å²	97	76.8 Å²	76.8	45%	0.453	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-63.2	-28.8	-175.4	-60.7	172	-124.2	0	0	112.4	M332 S333 G334 R347	M332-E336 WeakPolarHBondContact CA-OE1 3.4Å; S333-E336 PolarHBondContact N-OE1 2.93Å; S333-E336 WeakPolarHBondContact O-CB 3.45Å; S333-E336 PolarHBondContact O-N 3.21Å; G334-E336 VanDerWaalsContact C-N 3.25Å; G334-E336 PolarHBondContact O-N 3.16Å; E336-R347 IonicContact OE1-CZ 3.92Å; E336-R347 IonicContact OE1-NH2 2.91Å; E336-R347 PolarHBondContact OE1-NH2 2.91Å; E336-R347 IonicContact OE2-CZ 3.22Å; E336-R347 IonicContact OE2-NH1 2.71Å; E336-R347 PolarHBondContact OE2-NH1 3.43Å; E336-R347 IonicContact OE2-NH2 2.82Å; E336-R347 PolarHBondContact OE2-NH2 3.4Å
337	I	90	Very high	93.7	Very high	62 Å²	62	74.9 Å²	74.9	32%	0.318	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-111.1	25.9	-179.1	61.5	156.8	0	0	0	112.7	Y285 M332 G334 K335 K339	Y285-I337 HydrophobicContact CD2-CD1 4.26Å; Y285-I337 HydrophobicContact CE1-CD1 3.93Å; Y285-I337 HydrophobicContact CE2-CD1 3.58Å; Y285-I337 VanDerWaalsContact CZ-CD1 3.4Å; M332-I337 HydrophobicContact SD-CG2 4.4Å; G334-I337 CarbonylContact O-C 3.5Å; G334-I337 WeakPolarHBondContact O-CG1 3.41Å; G334-I337 PolarHBondContact O-N 2.83Å; G334-I337 VanDerWaalsContact O-N 3.15Å; K335-I337 PolarHBondContact O-N 2.92Å; I337-K339 HydrophobicContact CD1-CB 4.47Å; I337-K339 HydrophobicContact CD1-CD 3.67Å; I337-K339 HydrophobicContact CD1-CG 3.98Å; I337-K339 HydrophobicContact CG1-CB 4.3Å; I337-K339 HydrophobicContact CG1-CD 4.33Å; I337-K339 HydrophobicContact CG1-CG 4.09Å; I337-K339 PolarHBondContact O-N 3.18Å
338	K	90.9	Very high	93.7	Very high	209 Å²	209	75.2 Å²	75.2	91%	0.909	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.2	179.2	-55.1	-178.2	-178.8	179.3	0	114.5	G334 K335	G334-K338 PolarHBondContact O-N 3.41Å; K335-K338 PolarHBondContact O-N 3.24Å
339	K	92.6	Very high	93.8	Very high	123 Å²	123	74.1 Å²	74.1	54%	0.535	34%	0.341	S	S	.	.	S	Bend	trans	-108.1	176.2	173.8	-63.2	-166.8	-176.1	-179.8	0	111.6	G334 I337 L343	G334-K339 CarbonylContact C-O 3.53Å; G334-K339 CarbonylContact O-C 3.46Å; G334-K339 WeakPolarHBondContact O-CA 3.35Å; G334-K339 PolarHBondContact O-N 2.94Å; I337-K339 HydrophobicContact CD1-CB 4.47Å; I337-K339 HydrophobicContact CD1-CD 3.67Å; I337-K339 HydrophobicContact CD1-CG 3.98Å; I337-K339 HydrophobicContact CG1-CB 4.3Å; I337-K339 HydrophobicContact CG1-CD 4.33Å; I337-K339 HydrophobicContact CG1-CG 4.09Å; I337-K339 PolarHBondContact O-N 3.18Å; K339-L343 HydrophobicContact CB-CD1 4.18Å
340	K	92.4	Very high	94	Very high	141 Å²	141	72.3 Å²	72.3	61%	0.613	33%	0.33	S	S	*	.			trans	-54.6	140.1	-178.5	-55	-171.6	-174.7	179.7	0	112	H342 L343	K340-H342 VanDerWaalsContact C-N 3.32Å; K340-H342 VanDerWaalsContact CB-NE2 3.34Å; K340-H342 WeakPolarHBondContact CB-NE2 3.45Å; K340-H342 WeakPolarHBondContact CD-NE2 3.24Å; K340-H342 PolarHBondContact O-N 3.34Å; K340-L343 HydrophobicContact CB-CD1 4.09Å; K340-L343 HydrophobicContact CB-CG 4.21Å; K340-L343 PolarHBondContact O-N 3.5Å; K340-L343 VanDerWaalsContact O-N 3.16Å
341	K	90.7	Very high	94.1	Very high	151 Å²	151	70 Å²	70	66%	0.657	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.8	-171.2	65.1	173.4	-177.3	174	0	116	S333 K335	S333-K341 PolarHBondContact OG-O 2.94Å; K335-K341 HydrophobicContact CD-CB 4.37Å; K335-K341 HydrophobicContact CG-CB 3.83Å
342	H	93	Very high	94	Very high	64 Å²	64	70 Å²	70	30%	0.296	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.4	179.3	44.8	-123	0	0	0	113.8	D287 S288 K340	D287-H342 IonicContact OD2-CD2 2.68Å; D287-H342 PolarHBondContact OD2-CD2 3.39Å; D287-H342 IonicContact OD2-CG 2.81Å; D287-H342 IonicContact OD2-NE2 2.76Å; S288-H342 WeakPolarHBondContact CB-O 3.3Å; S288-H342 PolarHBondContact N-O 2.95Å; S288-H342 PolarHBondContact OG-O 2.57Å; K340-H342 VanDerWaalsContact C-N 3.32Å; K340-H342 VanDerWaalsContact CB-NE2 3.34Å; K340-H342 WeakPolarHBondContact CB-NE2 3.45Å; K340-H342 WeakPolarHBondContact CD-NE2 3.24Å; K340-H342 PolarHBondContact O-N 3.34Å
343	L	96.7	Very high	93.8	Very high	35 Å²	35	73.7 Å²	73.7	18%	0.183	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.6	172.3	-67.6	172.8	0	0	0	109.3	F286 D287 S333 G334 K339 K340	F286-L343 CarbonylContact O-C 3.57Å; F286-L343 WeakPolarHBondContact O-CA 3.2Å; D287-L343 HydrophobicContact CB-CD2 4.47Å; S333-L343 CarbonylContact C-O 3.57Å; G334-L343 PolarHBondContact N-O 2.88Å; K339-L343 HydrophobicContact CB-CD1 4.18Å; K340-L343 HydrophobicContact CB-CD1 4.09Å; K340-L343 HydrophobicContact CB-CG 4.21Å; K340-L343 PolarHBondContact O-N 3.5Å; K340-L343 VanDerWaalsContact O-N 3.16Å
344	F	97.9	Very high	93.6	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.018	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.2	174.6	-74.9	-91.4	0	0	0	111.3	L274 Y285 F286 L321 L324 M332	L274-F344 HydrophobicContact CD1-CB 4.4Å; Y285-F344 WeakPolarHBondContact CA-O 3.43Å; F286-F344 PolarHBondContact N-O 3.08Å; F286-F344 PolarHBondContact O-N 2.92Å; L321-F344 HydrophobicContact CD1-CE2 4.16Å; L321-F344 HydrophobicContact CD1-CZ 4.46Å; L324-F344 HydrophobicContact CB-CD1 3.94Å; L324-F344 HydrophobicContact CB-CE1 3.81Å; L324-F344 HydrophobicContact CB-CE2 4.49Å; L324-F344 HydrophobicContact CB-CG 4.33Å; L324-F344 HydrophobicContact CB-CZ 4.1Å; L324-F344 HydrophobicContact CD1-CD2 4.13Å; L324-F344 HydrophobicContact CD1-CE2 4.48Å; L324-F344 HydrophobicContact CD1-CG 4.18Å; L324-F344 HydrophobicContact CD2-CB 4.16Å; L324-F344 HydrophobicContact CD2-CD1 4.17Å; L324-F344 HydrophobicContact CD2-CG 4.2Å; L324-F344 HydrophobicContact CG-CD1 4.47Å; L324-F344 HydrophobicContact CG-CG 4.49Å; L324-F344 WeakPolarHBondContact O-CE1 3.5Å; M332-F344 WeakPolarHBondContact O-CA 3.34Å
345	G	96.7	Very high	93.2	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.5	174.3	0	0	0	0	0	111.1	K284 M332	K284-G345 WeakPolarHBondContact O-CA 3.32Å; M332-G345 PolarHBondContact N-O 3.08Å; M332-G345 PolarHBondContact O-N 2.86Å; M332-G345 VanDerWaalsContact O-N 3.1Å
346	L	96.9	Very high	92.5	Very high	5 Å²	5	79.3 Å²	79.3	3%	0.026	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.4	173.5	-57.6	176.2	0	0	0	110	L274 Y275 K284 M330 F331 I348	L274-L346 HydrophobicContact CB-CD2 4.03Å; L274-L346 HydrophobicContact CB-CG 4.11Å; L274-L346 HydrophobicContact CD1-CD2 4.34Å; Y275-L346 HydrophobicContact CD2-CD1 4.12Å; K284-L346 WeakPolarHBondContact CE-O 3.22Å; M330-L346 WeakPolarHBondContact O-CA 3.47Å; F331-L346 HydrophobicContact CD1-CD2 3.99Å; F331-L346 HydrophobicContact CE1-CD2 3.83Å; L346-I348 WeakPolarHBondContact CB-O 3.21Å
347	R	95.1	Very high	90.9	Very high	77 Å²	77	78.1 Å²	78.1	29%	0.291	38%	0.383	S	S	.	.	S	Bend	trans	-60	-52.9	172.2	-66.2	-150.7	-177.4	-91.4	-26.3	110.6	K284 K328 T329 M330 F331 M332 E336	K284-R347 PolarHBondContact NZ-O 2.9Å; K284-R347 VanDerWaalsContact NZ-O 3.09Å; K328-R347 PolarHBondContact O-NE 3.02Å; K328-R347 PolarHBondContact O-NH2 2.82Å; T329-R347 WeakPolarHBondContact O-CD 3.28Å; M330-R347 PolarHBondContact O-N 3.25Å; F331-R347 PolarHBondContact O-NE 3.46Å; F331-R347 PolarHBondContact O-NH2 3.35Å; M332-R347 HydrophobicContact CB-CG 4.17Å; M332-R347 HydrophobicContact CE-CG 4.26Å; M332-R347 VanDerWaalsContact CE-NH1 3.26Å; E336-R347 IonicContact OE1-CZ 3.92Å; E336-R347 IonicContact OE1-NH2 2.91Å; E336-R347 PolarHBondContact OE1-NH2 2.91Å; E336-R347 IonicContact OE2-CZ 3.22Å; E336-R347 IonicContact OE2-NH1 2.71Å; E336-R347 PolarHBondContact OE2-NH1 3.43Å; E336-R347 IonicContact OE2-NH2 2.82Å; E336-R347 PolarHBondContact OE2-NH2 3.4Å
348	I	94.3	Very high	88.5	Confident	124 Å²	124	79.1 Å²	79.1	64%	0.636	40%	0.4	S	S	*	.	S	Bend	trans	-116.2	130.1	177.8	-51.4	176.8	0	0	0	107.7	L346 V350	L346-I348 WeakPolarHBondContact CB-O 3.21Å; I348-V350 HydrophobicContact CB-CG2 4.35Å; I348-V350 HydrophobicContact CG2-CG1 4.01Å; I348-V350 HydrophobicContact CG2-CG2 4.1Å; I348-V350 PolarHBondContact O-N 2.87Å
349	R	95	Very high	86.2	Confident	123 Å²	123	75.2 Å²	75.2	46%	0.464	38%	0.383	S	S	.	.			trans	-81.3	66	-178.3	-168.8	-168.6	-81.2	167	-13.1	111.5	Y275 S278 K282 K283	Y275-R349 HydrophobicContact CD2-CG 4.34Å; Y275-R349 HydrophobicContact CE2-CG 4.19Å; S278-R349 PolarHBondContact O-NH2 2.98Å; K282-R349 PolarHBondContact O-NH2 3.36Å; K283-R349 PolarHBondContact O-NH2 3.2Å
350	V	94.4	Very high	83.4	Confident	73 Å²	73	77.8 Å²	77.8	44%	0.442	40%	0.395	S	S	.	.			trans	-115.1	150.8	173.1	-73	0	0	0	0	111.1	H271 Y275 I348	H271-V350 PolarHBondContact NE2-O 3.09Å; Y275-V350 VanDerWaalsContact CD2-C 3.47Å; Y275-V350 WeakPolarHBondContact CD2-O 3.35Å; I348-V350 HydrophobicContact CB-CG2 4.35Å; I348-V350 HydrophobicContact CG2-CG1 4.01Å; I348-V350 HydrophobicContact CG2-CG2 4.1Å; I348-V350 PolarHBondContact O-N 2.87Å
351	P	95.6	Very high	80.5	Confident	10 Å²	10	75.7 Å²	75.7	7%	0.065	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-57	153.3	170	-27.5	36.9	0	0	0	113.2	W212 G241 Y275	W212-P351 HydrophobicContact CH2-CG 3.73Å; W212-P351 HydrophobicContact CZ3-CB 4.42Å; W212-P351 HydrophobicContact CZ3-CG 3.78Å; G241-P351 WeakPolarHBondContact O-CB 3.44Å; Y275-P351 HydrophobicContact CD1-CG 4.49Å; Y275-P351 HydrophobicContact CE1-CG 3.9Å; Y275-P351 HydrophobicContact CE2-CG 3.93Å
352	P	94.4	Very high	77.8	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.013	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-62.4	156.8	170.8	26.3	-32.4	0	0	0	111.9	F244 H271 L272	F244-P352 HydrophobicContact CE2-CB 3.95Å; F244-P352 HydrophobicContact CE2-CG 3.93Å; F244-P352 HydrophobicContact CZ-CB 4.41Å; H271-P352 HydrophobicContact CB-CB 4.13Å; L272-P352 HydrophobicContact CB-CG 4.09Å; L272-P352 HydrophobicContact CD1-CG 4.09Å
353	V	90.9	Very high	75.1	Confident	108 Å²	108	82.6 Å²	82.6	66%	0.655	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-99.2	121	-179.7	-177.8	0	0	0	0	108.5
354	P	91.1	Very high	71.8	Confident	23 Å²	23	89.2 Å²	89.2	15%	0.149	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-68.3	152.8	177.5	31	-36.2	0	0	0	110.8	R243 F244 L262	R243-P354 HydrophobicContact CB-CG 4Å; R243-P354 WeakPolarHBondContact O-CB 2.99Å; R243-P354 WeakPolarHBondContact O-CG 3.38Å; F244-P354 HydrophobicContact CD1-CB 4.38Å; F244-P354 HydrophobicContact CD2-CB 4.32Å; F244-P354 HydrophobicContact CE1-CB 4.47Å; F244-P354 HydrophobicContact CE2-CB 4.38Å; F244-P354 HydrophobicContact CG-CB 4.29Å; F244-P354 HydrophobicContact CZ-CB 4.45Å; L262-P354 HydrophobicContact CD1-CB 4.15Å
355	P	85.3	Confident	68.8	Low	70 Å²	70	94.7 Å²	94.7	46%	0.455	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-59.6	144.9	176	25.5	-34.8	0	0	0	111.1	V357	P355-V357 PolarHBondContact O-N 2.91Å
356	N	76.3	Confident	65.7	Low	164 Å²	164	103.7 Å²	103.7	88%	0.877	54%	0.544	S	S	*	.			trans	-66.7	91.2	178.1	-86.5	-23.3	0	0	0	110.8	A358	N356-A358 PolarHBondContact O-N 2.95Å
357	V	58	Low	63.1	Low	73 Å²	73	106.9 Å²	106.9	44%	0.442	58%	0.578	S	S	.	*			trans	-71.1	77.3	164.3	-172.6	0	0	0	0	108.2	L262 P355 F359	L262-V357 HydrophobicContact CD1-CG2 3.81Å; L262-V357 HydrophobicContact CD2-CG2 3.7Å; L262-V357 HydrophobicContact CG-CG2 4.41Å; P355-V357 PolarHBondContact O-N 2.91Å; V357-F359 PolarHBondContact O-N 3.43Å; V357-F359 VanDerWaalsContact O-N 3.12Å
358	A	39.5	Very low	59.9	Low	82 Å²	82	109.3 Å²	109.3	68%	0.678	60%	0.601	S	S	*	*			trans	-57.5	116.2	165	0	0	0	0	0	107.5	N356 K360	N356-A358 PolarHBondContact O-N 2.95Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.49Å
359	F	44	Very low	57	Low	127 Å²	127	108.9 Å²	108.9	56%	0.557	61%	0.609	S	S	*	*			trans	-64.8	92.8	171.5	-83.3	-94.3	0	0	0	108.4	C220 T246 V357 A361	C220-F359 HydrophobicContact CB-CE2 4.17Å; C220-F359 HydrophobicContact CB-CZ 4.38Å; T246-F359 HydrophobicContact CG2-CZ 3.92Å; V357-F359 PolarHBondContact O-N 3.43Å; V357-F359 VanDerWaalsContact O-N 3.12Å; F359-A361 PolarHBondContact O-N 2.82Å; F359-A361 VanDerWaalsContact O-N 3.13Å
360	K	32.3	Very low	53.9	Low	177 Å²	177	111.5 Å²	111.5	77%	0.77	63%	0.627	S	S	*	*			trans	-57.2	116.3	150.6	-73.8	-170.8	177.3	-177.1	0	105.8	A358 E362	A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.49Å; K360-E362 HydrophobicContact CB-CG 4.24Å; K360-E362 PolarHBondContact O-N 3.16Å
361	A	32.8	Very low	50.8	Low	98 Å²	98	116.7 Å²	116.7	81%	0.81	65%	0.646	S	S	*	*			trans	-72.5	75.7	167.7	0	0	0	0	0	107.7	F359 K363	F359-A361 PolarHBondContact O-N 2.82Å; F359-A361 VanDerWaalsContact O-N 3.13Å; A361-K363 PolarHBondContact O-N 3.43Å
362	E	34.4	Very low	47.7	Very low	164 Å²	164	125.1 Å²	125.1	77%	0.766	68%	0.682	S	S	*	*			trans	-61.4	126.5	165.4	-64.8	-170.9	162.9	0	0	107	K360	K360-E362 HydrophobicContact CB-CG 4.24Å; K360-E362 PolarHBondContact O-N 3.16Å
363	K	35	Very low	44.6	Very low	195 Å²	195	134.9 Å²	134.9	85%	0.848	72%	0.724	S	S	*	*			trans	-64.3	143.2	-178.3	-65.3	-179.8	177.7	-177.4	0	109.2	A361 P365	A361-K363 PolarHBondContact O-N 3.43Å; K363-P365 WeakPolarHBondContact O-CD 3.3Å
364	E	28.7	Very low	42.1	Very low	175 Å²	175	137 Å²	137	82%	0.818	73%	0.73	S	S	*	*			trans	-45.8	119.6	170	-69.5	-69.7	125.3	0	0	111	E366	E364-E366 PolarHBondContact O-N 3.12Å; E364-E366 VanDerWaalsContact O-N 3.13Å
365	P	33.8	Very low	39.3	Very low	119 Å²	119	146.1 Å²	146.1	77%	0.773	77%	0.767	S	S	*	*			trans	-76.9	93.4	163	30.8	-29.5	0	0	0	107.9	K363 G367	K363-P365 WeakPolarHBondContact O-CD 3.3Å; P365-G367 PolarHBondContact O-N 3.05Å
366	E	32.3	Very low	36.5	Very low	189 Å²	189	145.9 Å²	145.9	88%	0.883	78%	0.778	S	S	*	*			trans	-52.9	125.9	-174.9	-171.6	173	-171.6	0	0	113.3	E364	E364-E366 PolarHBondContact O-N 3.12Å; E364-E366 VanDerWaalsContact O-N 3.13Å
367	G	41.8	Very low	34.4	Very low	72 Å²	72	150.6 Å²	150.6	74%	0.742	78%	0.783	S	S	*	*			trans	60.2	80.7	155.3	0	0	0	0	0	118.8	P365	P365-G367 PolarHBondContact O-N 3.05Å
368	T	27.9	Very low	33.3	Very low	127 Å²	127	157 Å²	157	78%	0.779	81%	0.806	S	S	*	*			trans	-128.9	105.1	153.5	39.8	0	0	0	0	112.3	H370	T368-H370 PolarHBondContact O-N 3.11Å
369	S	32.9	Very low	32.9	Very low	116 Å²	116	157.4 Å²	157.4	81%	0.811	81%	0.809	S	S	*	*			trans	-77.9	110.4	177.1	51.7	0	0	0	0	111.4	E371	S369-E371 PolarHBondContact O-N 2.97Å
370	H	30.5	Very low	32.3	Very low	178 Å²	178	156.7 Å²	156.7	82%	0.824	82%	0.819	S	S	*	*			trans	-74.3	85.8	172.1	-89.9	-74.2	0	0	0	111.7	T368	T368-H370 PolarHBondContact O-N 3.11Å
371	E	29.3	Very low	32.4	Very low	181 Å²	181	157.2 Å²	157.2	85%	0.846	82%	0.821	S	S	*	*			trans	-67.9	129.3	174.8	-169.2	-176.3	-167	0	0	111.9	S369 K373	S369-E371 PolarHBondContact O-N 2.97Å; E371-K373 PolarHBondContact O-N 3Å
372	F	31.1	Very low	32.3	Very low	188 Å²	188	158.6 Å²	158.6	83%	0.825	82%	0.823	S	S	*	*			trans	-77.3	110.4	179.4	-84	-99.3	0	0	0	111.5	I374	F372-I374 PolarHBondContact O-N 3.5Å
373	K	28.4	Very low	32.2	Very low	206 Å²	206	157.4 Å²	157.4	90%	0.896	82%	0.82	S	S	*	*			trans	-76.8	78.2	-170.7	-150.1	167.7	-163	164.5	0	113.9	E371	E371-K373 PolarHBondContact O-N 3Å
374	I	38.8	Very low	31.9	Very low	154 Å²	154	154 Å²	154	79%	0.79	82%	0.821	S	S	*	*			trans	-70.7	133	171	-61	177.5	0	0	0	109.9	F372 G376	F372-I374 PolarHBondContact O-N 3.5Å; I374-G376 PolarHBondContact O-N 2.94Å
375	K	31.3	Very low	31.8	Very low	213 Å²	213	152.2 Å²	152.2	93%	0.926	82%	0.817	S	S	*	*			trans	-78.4	112.3	174.6	-73.2	178.4	175.3	175.9	0	110.6
376	G	27.7	Very low	31.7	Very low	66 Å²	66	151.2 Å²	151.2	68%	0.68	81%	0.812	S	S	*	*			trans	-169.7	101.1	175.8	0	0	0	0	0	118.7	I374	I374-G376 PolarHBondContact O-N 2.94Å
377	R	31.9	Very low	31.7	Very low	262 Å²	262	152 Å²	152	99%	0.989	81%	0.808	S	S	*	*			trans	67.9	179.4	153.6	-60.2	-176.4	173.9	-172.9	-2.7	117.5
378	K	35.7	Very low	31.1	Very low	209 Å²	209	155 Å²	155	91%	0.909	80%	0.802	S	S	*	*			trans	-118.8	139.6	-160.3	-57.5	175.7	179.6	178.2	0	112.4
379	A	29.3	Very low	31.2	Very low	90 Å²	90	155.1 Å²	155.1	74%	0.744	80%	0.802	S	S	*	*			trans	-158.9	109.7	156.6	0	0	0	0	0	106.9
380	S	31.6	Very low	31.2	Very low	111 Å²	111	154 Å²	154	78%	0.776	80%	0.795	S	S	*	*				56.1	110.2	93.6	64.4	0	0	0	0	115.1
381	K	34.7	Very low	31.1	Very low	188 Å²	188	153.6 Å²	153.6	82%	0.817	80%	0.799	S	S	*	*			trans	-63.2	162.1	166	-66.9	-174.9	176	-173.9	0	111.3
382	P	31.7	Very low	31.2	Very low	128 Å²	128	148.9 Å²	148.9	83%	0.831	80%	0.799	S	S	*	*				-121.6	-174.9	114.1	36.3	-33.9	0	0	0	113.4
383	I	31.5	Very low	31.2	Very low	138 Å²	138	148 Å²	148	71%	0.708	80%	0.801	S	S	*	*			trans	-120.3	149.4	-170.1	-65.1	159.3	0	0	0	109.1
384	S	28.4	Very low	31.3	Very low	125 Å²	125	147.1 Å²	147.1	87%	0.874	80%	0.8	S	S	*	*			trans	-134.6	157.4	147.3	49.8	0	0	0	0	108.7
385	D	27.1	Very low	30.9	Very low	136 Å²	136	149 Å²	149	73%	0.727	80%	0.802	S	S	*	*			trans	-138.9	-174.4	-156.9	-152.3	-33.1	0	0	0	110.7
386	S	31.8	Very low	30.9	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	80%	0.804	S	S	*	*			trans	74.2	114.7	-177.4	68.9	0	0	0	0	115
387	R	31.7	Very low	31	Very low	207 Å²	207	149.5 Å²	149.5	78%	0.781	81%	0.805	S	S	*	*				95.3	143.4	55.2	-78.5	165.8	-179.3	-119.3	14.3	110.3
388	E	30.2	Very low	31.1	Very low	134 Å²	134	146.9 Å²	146.9	63%	0.626	80%	0.801	S	S	*	*			cis	-161.8	169.4	10.3	-134.6	160.4	-122.4	0	0	113.2
389	V	30.2	Very low	31	Very low	129 Å²	129	145.5 Å²	145.5	78%	0.782	80%	0.795	S	S	*	*			trans	69.1	141.8	158.7	176.3	0	0	0	0	116.4
390	S	31.6	Very low	31	Very low	94 Å²	94	150.5 Å²	150.5	66%	0.657	80%	0.8	S	S	*	*			cis	-146	145.3	5	34.5	0	0	0	0	114.2
391	N	29.5	Very low	30.9	Very low	169 Å²	169	149.9 Å²	149.9	90%	0.904	80%	0.796	S	S	*	*			trans	37.2	120.3	139.5	-56	-16.3	0	0	0	122.2
392	G	30.6	Very low	30.8	Very low	82 Å²	82	148.2 Å²	148.2	85%	0.845	80%	0.801	S	S	*	*			trans	-161.1	132.2	156.9	0	0	0	0	0	110.4
393	I	31.5	Very low	30.7	Very low	169 Å²	169	145.6 Å²	145.6	87%	0.867	80%	0.797	S	S	*	*			trans	-111.3	130.5	-169.1	-67.4	169.9	0	0	0	110.9
394	E	31.1	Very low	30.7	Very low	188 Å²	188	150.3 Å²	150.3	88%	0.879	81%	0.806	S	S	*	*				-168.5	163.1	123.4	-107.4	-165.4	168.7	0	0	114.1
395	K	30.6	Very low	32	Very low	193 Å²	193	149 Å²	149	84%	0.839	79%	0.794	S	S	*	*			trans	-145.3	123.8	-178.4	-72.8	177	179.6	169.3	0	111.5
396	K	31	Very low	32.9	Very low	221 Å²	221	148.3 Å²	148.3	96%	0.961	80%	0.797	S	S	*	*			trans	169.2	139.1	147.5	-91.6	146.4	-173.9	176.5	0	109.3
397	G	30.6	Very low	32.7	Very low	69 Å²	69	146.7 Å²	146.7	71%	0.711	80%	0.796	S	S	*	*			cis	151.9	116.1	-22.7	0	0	0	0	0	115.5
398	K	33	Very low	33.5	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.896	80%	0.796	S	S	*	*			trans	66.4	150	165.7	-66.4	169.8	-176.7	172.3	0	115.2
399	K	32.8	Very low	33.5	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.787	81%	0.806	S	S	*	*			cis	-148.8	149.7	0.3	-110.6	166	177.8	-175.7	0	106.6
400	K	30.5	Very low	33.6	Very low	194 Å²	194	147 Å²	147	84%	0.843	81%	0.811	S	S	*	*				41.3	136.7	96.9	-72.4	-168.6	178.1	-171.5	0	115.2
401	S	30	Very low	33.5	Very low	99 Å²	99	153.8 Å²	153.8	69%	0.692	82%	0.822	S	S	*	*			cis	-175	155	17.1	32.5	0	0	0	0	115.4
402	V	32.4	Very low	33.7	Very low	153 Å²	153	155.2 Å²	155.2	93%	0.927	82%	0.82	S	S	*	*			trans	65.1	133.8	143.1	172	0	0	0	0	120.5
403	G	28.2	Very low	33.7	Very low	72 Å²	72	159.3 Å²	159.3	74%	0.742	82%	0.819	S	S	*	*			trans	164.6	139.3	163	0	0	0	0	0	112.6
404	R	32.2	Very low	33.7	Very low	238 Å²	238	160 Å²	160	90%	0.898	82%	0.823	S	S	*	*			trans	-143.8	-167.5	176.4	-147.1	-160.5	173.8	-146.6	1.1	110.8
405	P	54.9	Low	33.8	Very low	96 Å²	96	158.2 Å²	158.2	62%	0.623	81%	0.814	S	S	*	*			trans	-94.3	-161.9	-133.6	44.3	-25.7	0	0	0	112
406	P	46.6	Very low	33.8	Very low	123 Å²	123	157.5 Å²	157.5	80%	0.799	81%	0.811	S	S	*	*			cis	-135.8	-164.2	4.8	41.4	-19.8	0	0	0	115.5
407	G	28.7	Very low	33.6	Very low	64 Å²	64	153.1 Å²	153.1	66%	0.66	80%	0.803	S	S	*	*			trans	-87	-153.6	168.6	0	0	0	0	0	113.1
408	P	47.1	Very low	33.5	Very low	120 Å²	120	154.1 Å²	154.1	78%	0.779	81%	0.805	S	S	*	*			cis	-140.6	-173.9	9.8	42.9	-24	0	0	0	116.7
409	Y	29.8	Very low	33.4	Very low	214 Å²	214	153 Å²	153	84%	0.839	80%	0.803	S	S	*	*			trans	57.3	119.7	149.1	-110	-94	0	0	0	122
410	T	33.2	Very low	34.2	Very low	143 Å²	143	149.4 Å²	149.4	88%	0.877	80%	0.798	S	S	*	*				173.8	162.9	112.2	32.6	0	0	0	0	116
411	R	30.2	Very low	34	Very low	235 Å²	235	147.6 Å²	147.6	89%	0.887	80%	0.797	S	S	*	*			trans	-70.3	154.6	-175.6	-70.1	166.8	157.5	167.6	-8.4	116.6
412	K	32.6	Very low	34.2	Very low	199 Å²	199	149.8 Å²	149.8	87%	0.865	80%	0.8	S	S	*	*				-172.3	124.3	118	-96	158	-177.2	-179.3	0	108.9
413	M	30.1	Very low	34	Very low	169 Å²	169	149.1 Å²	149.1	83%	0.833	79%	0.791	S	S	*	*				73.9	119.9	78	-98.8	-169.7	168.2	0	0	116.3
414	I	32.9	Very low	34.2	Very low	183 Å²	183	153.8 Å²	153.8	94%	0.938	79%	0.791	S	S	*	*			trans	-160.2	170.4	143.1	-100.2	157.9	0	0	0	107.3
415	Q	32.6	Very low	34	Very low	151 Å²	151	149.4 Å²	149.4	71%	0.706	78%	0.781	S	S	*	*			trans	-151	144.2	-139.4	-157.5	-177.3	49.5	0	0	115.4
416	K	30.9	Very low	32.7	Very low	178 Å²	178	150.2 Å²	150.2	77%	0.774	79%	0.789	S	S	*	*			trans	62.6	166.9	159.3	-84.8	174.3	174.7	-172.2	0	116.9
417	T	27.5	Very low	31.8	Very low	128 Å²	128	150.9 Å²	150.9	79%	0.785	79%	0.79	S	S	*	*			cis	-162.2	166.7	1.7	11.8	0	0	0	0	107
418	A	28.4	Very low	31.8	Very low	91 Å²	91	153.2 Å²	153.2	75%	0.752	80%	0.796	S	S	*	*			cis	-166.6	-170.5	-8.6	0	0	0	0	0	110
419	E	29	Very low	30.8	Very low	183 Å²	183	155.8 Å²	155.8	86%	0.855	80%	0.798	S	S	*	*			trans	-100.3	-167.1	172.9	-38.3	-179.1	137.8	0	0	111.5
420	P	49.9	Very low	31	Very low	105 Å²	105	152.9 Å²	152.9	68%	0.682	80%	0.797	S	S	*	*			cis	-136.2	-173.1	-14.1	33.3	-11	0	0	0	114.3
421	L	27	Very low	31.5	Very low	156 Å²	156	151.6 Å²	151.6	82%	0.817	79%	0.791	S	S	*	*				166	-158.8	117.8	-140.9	75.9	0	0	0	114.3
422	L	33.8	Very low	31.5	Very low	145 Å²	145	146 Å²	146	76%	0.759	78%	0.783	S	S	*	*			trans	-124.1	-177	-147.3	-79.6	160.9	0	0	0	116.4
423	D	27.9	Very low	31.5	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	78%	0.778	S	S	*	*			trans	93.5	154	157.9	-65.6	-29.8	0	0	0	120.5
424	K	33.3	Very low	31.4	Very low	169 Å²	169	142.1 Å²	142.1	74%	0.735	77%	0.774	S	S	*	*			cis	-162.6	-174.9	-42.2	-132.9	178	-179.1	-103.5	0	112.4
425	E	28.6	Very low	31.2	Very low	147 Å²	147	140 Å²	140	69%	0.687	76%	0.764	S	S	*	*			trans	-77.3	155.3	-159.4	-57	146.3	101.9	0	0	120.2
426	S	27.3	Very low	31.5	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	77%	0.77	S	S	*	*			trans	179.5	140.9	137.3	21.7	0	0	0	0	109.8
427	V	28	Very low	31.3	Very low	137 Å²	137	135.6 Å²	135.6	83%	0.83	77%	0.768	S	S	*	*			cis	82.6	132.8	39.3	176.8	0	0	0	0	112.6
428	S	27.4	Very low	31.6	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	76%	0.764	S	S	*	*			cis	-124.4	-132.7	3.8	-156.7	0	0	0	0	112.2
429	E	27.2	Very low	31.6	Very low	175 Å²	175	138 Å²	138	82%	0.818	77%	0.77	S	S	*	*			cis	-148.3	179	6.4	-81.5	-166.9	118.8	0	0	111.8
430	N	32.2	Very low	31.5	Very low	152 Å²	152	132.8 Å²	132.8	81%	0.813	77%	0.765	S	S	*	*			trans	-154.1	154.5	162.5	-93	-53.3	0	0	0	109.1
431	P	45	Very low	30.6	Very low	116 Å²	116	139.3 Å²	139.3	75%	0.753	78%	0.776	S	S	*	*				-144.1	152.7	114.3	36.1	-20.3	0	0	0	113.6
432	T	29.4	Very low	30.7	Very low	117 Å²	117	138 Å²	138	72%	0.718	78%	0.775	S	S	*	*			cis	72.6	135.8	43.2	-45.6	0	0	0	0	111
433	L	33.9	Very low	30.4	Very low	148 Å²	148	140.2 Å²	140.2	78%	0.775	78%	0.781	S	S	*	*			cis	-110.2	-147.5	22.4	-64.1	150.6	0	0	0	112
434	D	26.2	Very low	30.4	Very low	139 Å²	139	137 Å²	137	74%	0.743	78%	0.781	S	S	*	*			cis	-159	-172.3	3	-140.8	-35.8	0	0	0	113.9
435	L	29.5	Very low	30.2	Very low	138 Å²	138	135.9 Å²	135.9	72%	0.723	79%	0.788	S	S	*	*			trans	-132.7	173.7	-175.6	-144.8	77.1	0	0	0	111.7	C437	L435-C437 HydrophobicContact CD2-CB 4.38Å
436	P	40	Very low	30.3	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	79%	0.785	S	S	*	*				-147.2	-177.2	79.5	37.8	-17.5	0	0	0	115.2
437	C	25.8	Very low	30.4	Very low	109 Å²	109	135.8 Å²	135.8	74%	0.736	79%	0.788	S	S	*	*			trans	-145.6	148.6	-174	175	0	0	0	0	111.8	L435	L435-C437 HydrophobicContact CD2-CB 4.38Å
438	S	33.1	Very low	30.3	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	78%	0.783	S	S	*	*			trans	-172.5	126.7	155.2	-88.9	0	0	0	0	116
439	I	29.3	Very low	30.6	Very low	170 Å²	170	134.1 Å²	134.1	87%	0.872	78%	0.782	S	S	*	*			trans	67.4	138.4	138.5	-57	170.3	0	0	0	117.5
440	G	26.1	Very low	30.7	Very low	72 Å²	72	133.6 Å²	133.6	74%	0.742	79%	0.785	S	S	*	*			cis	-147.9	-161.2	15.1	0	0	0	0	0	116.3
441	R	31.8	Very low	30.6	Very low	242 Å²	242	132.7 Å²	132.7	91%	0.913	79%	0.785	S	S	*	*			trans	-101.8	151	-163	-61.3	172.9	167.8	-174.7	-4.1	114.4
442	T	27.9	Very low	29.9	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	79%	0.787	S	S	*	*				-166.8	152.8	112.2	25.5	0	0	0	0	112.6
443	E	28.8	Very low	29.8	Very low	191 Å²	191	134.2 Å²	134.2	89%	0.893	79%	0.792	S	S	*	*			trans	-1.4	148.6	157.7	-62.5	156.3	-166.5	0	0	120.7
444	G	27.7	Very low	30	Very low	71 Å²	71	133.8 Å²	133.8	73%	0.732	80%	0.795	S	S	*	*			cis	174.5	156.1	-2.4	0	0	0	0	0	114.4
445	T	29.4	Very low	30.1	Very low	146 Å²	146	134.7 Å²	134.7	90%	0.896	80%	0.799	S	S	*	*			trans	45.9	111.4	162.4	-47.3	0	0	0	0	122.5
446	A	29.9	Very low	29.9	Very low	76 Å²	76	138.1 Å²	138.1	63%	0.628	81%	0.809	S	S	*	*			trans	-37.3	155.3	168	0	0	0	0	0	121.1
447	H	29.5	Very low	29.4	Very low	182 Å²	182	138.6 Å²	138.6	84%	0.843	81%	0.81	S	S	*	*				-177.6	153.6	100.4	-104	-77	0	0	0	117
448	S	27.4	Very low	29.4	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	82%	0.816	S	S	*	*			trans	60.1	116.4	153.5	-147.8	0	0	0	0	122.1
449	S	31.9	Very low	29.2	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	82%	0.82	S	S	*	*			trans	-71.6	160.6	154.1	-42.7	0	0	0	0	111.9
450	N	29.2	Very low	29.3	Very low	164 Å²	164	134.9 Å²	134.9	88%	0.877	82%	0.819	S	S	*	*			trans	-161	146.1	148.1	-104.3	-21.8	0	0	0	110.9
451	T	30.2	Very low	29.2	Very low	132 Å²	132	136.8 Å²	136.8	81%	0.81	82%	0.821	S	S	*	*			trans	-109	139.6	175.9	49.4	0	0	0	0	110
452	S	31.3	Very low	29.2	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	82%	0.818	S	S	*	*			trans	-87.6	123.6	-177.1	54.6	0	0	0	0	113.2
453	D	28.1	Very low	29.4	Very low	152 Å²	152	133 Å²	133	81%	0.813	82%	0.819	S	S	*	*			trans	-68.7	162.1	163	-73.1	-63.2	0	0	0	112
454	V	37	Very low	29.5	Very low	139 Å²	139	133.3 Å²	133.3	84%	0.842	82%	0.821	S	S	*	*			trans	-127.4	101.8	169.3	-77.2	0	0	0	0	110.3
455	D	28	Very low	29.5	Very low	157 Å²	157	135.5 Å²	135.5	84%	0.84	82%	0.821	S	S	*	*			trans	-76.7	140.1	-179.2	-98.8	-46.5	0	0	0	112.9
456	F	26.5	Very low	29.5	Very low	210 Å²	210	135.6 Å²	135.6	92%	0.921	82%	0.821	S	S	*	*			trans	-94	112.4	169	-116.6	-92.4	0	0	0	110	G458	F456-G458 PolarHBondContact O-N 3.25Å
457	T	29.3	Very low	29.3	Very low	138 Å²	138	137.2 Å²	137.2	85%	0.847	83%	0.828	S	S	*	*			trans	-70.8	123.6	-172	51.9	0	0	0	0	113.5
458	G	25.3	Very low	29.2	Very low	85 Å²	85	133.9 Å²	133.9	88%	0.876	83%	0.825	S	S	*	*			trans	-123.1	100.6	169.4	0	0	0	0	0	112.3	F456	F456-G458 PolarHBondContact O-N 3.25Å
459	A	29.1	Very low	29.1	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	83%	0.83	S	S	*	*			trans	-129.2	153.5	171.3	0	0	0	0	0	108.9
460	S	30.7	Very low	28.8	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	83%	0.828	S	S	*	*			cis	-141.1	147.7	24.3	-55.6	0	0	0	0	113
461	S	25.7	Very low	28.6	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	82%	0.824	S	S	*	*			trans	-131.6	111.4	162.8	-178.2	0	0	0	0	108.2
462	A	30.8	Very low	28.4	Very low	103 Å²	103	137.2 Å²	137.2	85%	0.851	82%	0.822	S	S	*	*			trans	-74.3	133.7	174.6	0	0	0	0	0	109.8
463	K	31.1	Very low	28.2	Very low	188 Å²	188	140.9 Å²	140.9	82%	0.817	83%	0.826	S	S	*	*			trans	-126.4	134.5	163.9	-75.3	-174.3	175.7	-176.3	0	108
464	E	31.8	Very low	28.1	Very low	198 Å²	198	144.5 Å²	144.5	93%	0.925	83%	0.83	S	S	*	*			trans	-117	159.6	161.1	-68	-172.1	154.1	0	0	109.1
465	T	28.4	Very low	27.6	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.724	83%	0.826	S	S	*	*			trans	-126.1	126	-163.3	-59.3	0	0	0	0	110
466	T	28.8	Very low	27.6	Very low	147 Å²	147	141.5 Å²	141.5	90%	0.902	83%	0.826	S	S	*	*			trans	-128.3	138.4	160.3	48.8	0	0	0	0	109.4
467	S	26.6	Very low	27.6	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	82%	0.82	S	S	*	*			trans	-125.1	136.6	-169.3	-59.7	0	0	0	0	110.4
468	S	26.3	Very low	27.3	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	82%	0.816	S	S	*	*			trans	-152.2	101.2	168.2	51.7	0	0	0	0	113
469	S	24.8	Very low	27.4	Very low	120 Å²	120	136 Å²	136	84%	0.839	79%	0.794	S	S	*	*			trans	26.6	131.1	139.8	53.9	0	0	0	0	121.8
470	I	26.5	Very low	27.4	Very low	143 Å²	143	141.8 Å²	141.8	73%	0.733	80%	0.796	S	S	*	*			trans	-61.7	145.7	165	-62.9	154.7	0	0	0	112.2	R472	I470-R472 HydrophobicContact CG2-CG 4.07Å
471	S	24.7	Very low	27.3	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	79%	0.792	S	S	*	*			trans	-132.3	158.1	140.9	80.4	0	0	0	0	110.3
472	R	26.3	Very low	27.4	Very low	205 Å²	205	149.8 Å²	149.8	77%	0.774	80%	0.795	S	S	*	*			trans	-134.8	136.3	177.8	-63.2	176.6	-178.6	143.1	-3.8	108.7	I470	I470-R472 HydrophobicContact CG2-CG 4.07Å
473	H	27.1	Very low	27.3	Very low	191 Å²	191	151.9 Å²	151.9	88%	0.884	80%	0.798	S	S	*	*			trans	-136.6	144.3	158.7	-83.3	-81.3	0	0	0	111
474	Y	25.5	Very low	27.2	Very low	228 Å²	228	153.1 Å²	153.1	89%	0.894	80%	0.797	S	S	*	*			trans	-91.8	154.1	-179.8	-86.5	-107.3	0	0	0	111.2
475	G	26.4	Very low	27	Very low	74 Å²	74	149.3 Å²	149.3	76%	0.763	79%	0.787	S	S	*	*			trans	-169.6	129	166.1	0	0	0	0	0	110.7
476	L	27.6	Very low	26.8	Very low	159 Å²	159	147.2 Å²	147.2	83%	0.832	79%	0.789	S	S	*	*			trans	-141.6	149	-176.5	-99.2	169.6	0	0	0	110.7
477	S	26.1	Very low	26.7	Very low	113 Å²	113	152 Å²	152	79%	0.79	79%	0.791	S	S	*	*			trans	70.9	156.9	167.6	-44.8	0	0	0	0	115.9
478	D	23.9	Very low	26.6	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	79%	0.79	S	S	*	*			cis	-147.6	163.2	-2.6	-158.8	12.1	0	0	0	114.9
479	S	26.9	Very low	26.7	Very low	60 Å²	60	158 Å²	158	42%	0.42	80%	0.796	S	S	.	*			trans	1.2	124.8	153.2	-68.2	0	0	0	0	125.6
480	R	29.6	Very low	27.2	Very low	216 Å²	216	157.9 Å²	157.9	82%	0.815	79%	0.793	S	S	*	*				79.9	144.6	114.6	-63.4	171.4	-150.2	-151.1	-0.7	123.6
481	K	29.6	Very low	27.2	Very low	179 Å²	179	155.3 Å²	155.3	78%	0.778	79%	0.793	S	S	*	*			trans	99.8	98.7	139.7	-82.9	161	178.6	179.9	0	122.4
482	R	27.6	Very low	27.3	Very low	226 Å²	226	154.7 Å²	154.7	85%	0.853	79%	0.794	S	S	*	*				66.8	113.9	102.5	-169.3	-161.7	-156.2	-164.3	10.1	121.3
483	T	28.8	Very low	27.7	Very low	147 Å²	147	151.9 Å²	151.9	90%	0.902	79%	0.793	S	S	*	*			trans	-134.6	-171.4	148.9	42.7	0	0	0	0	112.2
484	R	27.8	Very low	27.9	Very low	213 Å²	213	148.7 Å²	148.7	80%	0.804	79%	0.789	S	S	*	*			trans	-152.9	139.2	-133.7	-157.9	-165.5	85.7	178.1	5.2	117
485	T	27.6	Very low	27.9	Very low	118 Å²	118	145.8 Å²	145.8	72%	0.724	78%	0.783	S	S	*	*			trans	63.1	137.6	152.9	41.4	0	0	0	0	122
486	G	24.4	Very low	28	Very low	74 Å²	74	149.5 Å²	149.5	76%	0.763	79%	0.785	S	S	*	*			trans	-172.1	168.4	168	0	0	0	0	0	113.5
487	R	26.9	Very low	28	Very low	249 Å²	249	153.3 Å²	153.3	94%	0.94	79%	0.788	S	S	*	*			trans	-146.9	177.3	179.8	-64.5	-168.7	174.3	-170.6	-1.2	109.2
488	S	24.1	Very low	28.1	Very low	108 Å²	108	159.5 Å²	159.5	76%	0.755	79%	0.794	S	S	*	*			cis	-153.2	177.5	24.8	-66.2	0	0	0	0	113.9
489	W	27.8	Very low	28.3	Very low	239 Å²	239	164.7 Å²	164.7	91%	0.905	80%	0.803	S	S	*	*			trans	-81.2	165.4	163.2	-78.8	82.5	0	0	0	110.6
490	P	36.5	Very low	28.3	Very low	118 Å²	118	173.9 Å²	173.9	77%	0.766	83%	0.829	S	S	*	*			cis	-153.3	166.3	47.6	43.7	-22	0	0	0	122
491	A	25.9	Very low	28.2	Very low	89 Å²	89	167.4 Å²	167.4	74%	0.736	83%	0.829	S	S	*	*			trans	42.1	125.2	140.9	0	0	0	0	0	123.9
492	A	25.9	Very low	28.2	Very low	98 Å²	98	170.3 Å²	170.3	81%	0.81	84%	0.835	S	S	*	*				-165.9	150.1	115.5	0	0	0	0	0	111.8
493	I	35.9	Very low	28.3	Very low	147 Å²	147	167.7 Å²	167.7	75%	0.754	84%	0.837	S	S	*	*			trans	-142.3	133.8	167.7	-62.5	176.1	0	0	0	108.2
494	P	30.4	Very low	28.5	Very low	123 Å²	123	165.7 Å²	165.7	80%	0.799	83%	0.827	S	S	*	*			trans	-116	152.5	140.9	-7.4	27.6	0	0	0	113.2
495	H	26	Very low	28.6	Very low	167 Å²	167	167.3 Å²	167.3	77%	0.773	83%	0.833	S	S	*	*			trans	-85	165	178.9	-44.9	-94.9	0	0	0	111.7
496	L	28.3	Very low	28.5	Very low	153 Å²	153	173.9 Å²	173.9	80%	0.801	85%	0.845	S	S	*	*				-170.4	133.6	117.3	-100.4	168.5	0	0	0	115.8
497	R	26.9	Very low	28.7	Very low	238 Å²	238	174.8 Å²	174.8	90%	0.898	84%	0.844	S	S	*	*			trans	21.1	140.9	155.9	-71.4	174.7	-179.2	-151.5	-2.7	124
498	R	29.1	Very low	28.7	Very low	243 Å²	243	170.4 Å²	170.4	92%	0.917	84%	0.839	S	S	*	*			trans	-71.7	156.4	169.5	-49.2	165.2	178.4	165.4	-2.7	113.2
499	R	27.8	Very low	28.8	Very low	253 Å²	253	174 Å²	174	96%	0.955	84%	0.844	S	S	*	*				-148.2	158.3	129.7	-118.2	-178.3	-175.9	-143.8	0.4	111.7
500	R	28	Very low	28.8	Very low	253 Å²	253	169 Å²	169	96%	0.955	84%	0.84	S	S	*	*			trans	-109	149.9	173.5	-74.4	179.7	173	174.5	-3.1	109.2
501	G	26.4	Very low	28.3	Very low	80 Å²	80	172.5 Å²	172.5	83%	0.825	85%	0.846	S	S	*	*			trans	-158	139.9	164.7	0	0	0	0	0	110.7
502	R	29.4	Very low	28.4	Very low	241 Å²	241	176 Å²	176	91%	0.909	85%	0.852	S	S	*	*			trans	-106.1	156.1	161.7	-78.1	-173.6	172.8	-157.2	-0.1	107.6
503	L	29.4	Very low	28.5	Very low	170 Å²	170	176.5 Å²	176.5	89%	0.89	85%	0.85	S	S	*	*				-179.1	169.5	116.6	-89.8	171.9	0	0	0	109.1
504	P	33.6	Very low	28.1	Very low	106 Å²	106	178.6 Å²	178.6	69%	0.688	86%	0.856	S	S	*	*			trans	-120.6	179.5	-153.3	44.3	-36.2	0	0	0	116.6
505	R	29.4	Very low	28.1	Very low	246 Å²	246	181.1 Å²	181.1	93%	0.928	86%	0.862	S	S	*	*			trans	36.5	115.9	153.3	-82	-171.1	172.8	-177.2	-1.2	118.7
506	R	27	Very low	28.3	Very low	257 Å²	257	179.8 Å²	179.8	97%	0.97	87%	0.865	S	S	*	*				-153.4	167.4	122.9	-120.9	175.1	-178.5	172	0.1	111.2
507	A	27.2	Very low	28.5	Very low	92 Å²	92	179.2 Å²	179.2	76%	0.76	86%	0.856	S	S	*	*			trans	-129.9	148.6	-175	0	0	0	0	0	111.4
508	L	28.2	Very low	28.5	Very low	158 Å²	158	175.9 Å²	175.9	83%	0.827	86%	0.856	S	S	*	*			trans	-150	134	165.6	-67.7	177.1	0	0	0	103.5
509	Q	26.1	Very low	28.8	Very low	183 Å²	183	170 Å²	170	86%	0.855	84%	0.842	S	S	*	*			cis	66.2	96.9	32	-157.8	171.9	17.4	0	0	113
510	T	27.3	Very low	29.2	Very low	133 Å²	133	165.2 Å²	165.2	82%	0.816	83%	0.831	S	S	*	*			trans	-116.5	128.7	179.9	42.7	0	0	0	0	110.3
511	Q	25.4	Very low	29.3	Very low	193 Å²	193	156.5 Å²	156.5	90%	0.902	82%	0.82	S	S	*	*			trans	-103.6	162.7	163	-73.5	-176.3	-47.2	0	0	109.8
512	N	28.2	Very low	29.7	Very low	162 Å²	162	159.7 Å²	159.7	87%	0.866	81%	0.811	S	S	*	*			trans	-94	147	-179	-69.4	-25.3	0	0	0	112.8
513	S	28.4	Very low	29.8	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	80%	0.801	S	S	*	*			trans	-158.4	109.3	149.5	42.1	0	0	0	0	107.6
514	E	28.7	Very low	29.8	Very low	191 Å²	191	153.4 Å²	153.4	89%	0.893	79%	0.792	S	S	*	*				74.9	105.9	91.8	-75.7	-170.8	162.6	0	0	114.9
515	I	30	Very low	29.7	Very low	177 Å²	177	159.6 Å²	159.6	91%	0.908	80%	0.803	S	S	*	*			trans	-136.3	152.3	154.3	-68.1	-172	0	0	0	107.5
516	V	29.5	Very low	30.2	Very low	138 Å²	138	156.4 Å²	156.4	84%	0.836	80%	0.799	S	S	*	*			trans	-86.6	162.2	-161.4	177.8	0	0	0	0	114
517	K	32.7	Very low	30.5	Very low	141 Å²	141	153.6 Å²	153.6	61%	0.613	79%	0.794	S	S	*	*			trans	-66.4	169.9	179.3	-54.9	171.2	151.3	-133.2	0	115.4	D519	K517-D519 IonicContact NZ-OD1 3.33Å; K517-D519 PolarHBondContact NZ-OD1 2.89Å; K517-D519 IonicContact NZ-OD2 3.65Å; K517-D519 PolarHBondContact NZ-OD2 3.46Å
518	D	27.5	Very low	30.9	Very low	168 Å²	168	154.4 Å²	154.4	90%	0.898	79%	0.786	S	S	*	*				-140.3	145.2	114.3	-100.4	-33.6	0	0	0	109.9
519	D	34.5	Very low	31.4	Very low	120 Å²	120	154.6 Å²	154.6	64%	0.642	78%	0.782	S	S	*	*			trans	-97.6	168.7	-179.2	-50.2	-67.5	0	0	0	110.2	K517	K517-D519 IonicContact NZ-OD1 3.33Å; K517-D519 PolarHBondContact NZ-OD1 2.89Å; K517-D519 IonicContact NZ-OD2 3.65Å; K517-D519 PolarHBondContact NZ-OD2 3.46Å
520	E	35.8	Very low	32	Very low	152 Å²	152	151.9 Å²	151.9	71%	0.71	77%	0.773	S	S	*	*			cis	-150	-172.1	10	-158.7	-114.5	83.7	0	0	109.1	K522	E520-K522 WeakPolarHBondContact OE1-CG 3.39Å; E520-K522 PolarHBondContact OE1-N 3.31Å
521	G	29.9	Very low	32.7	Very low	71 Å²	71	149.6 Å²	149.6	73%	0.732	76%	0.756	S	S	*	*			trans	163.8	72.3	173.3	0	0	0	0	0	118
522	K	35.2	Very low	33.8	Very low	147 Å²	147	143.9 Å²	143.9	64%	0.639	73%	0.734	S	S	*	*			trans	-47.6	160.4	165.7	-76.3	151.1	161	-86.7	0	115.6	E520	E520-K522 WeakPolarHBondContact OE1-CG 3.39Å; E520-K522 PolarHBondContact OE1-N 3.31Å
523	E	31.4	Very low	34.7	Very low	146 Å²	146	142.1 Å²	142.1	68%	0.682	72%	0.721	S	S	*	*			cis	-158.1	161.5	7.6	-130.5	148.5	-144.9	0	0	112
524	D	29.7	Very low	35.7	Very low	132 Å²	132	141.5 Å²	141.5	71%	0.706	71%	0.708	S	S	*	*			trans	43	125.7	163.8	-81.7	-9.7	0	0	0	123.5
525	Y	32.2	Very low	36.5	Very low	237 Å²	237	137.8 Å²	137.8	93%	0.929	69%	0.693	S	S	*	*				-169.7	125.1	103.8	-95.8	-68.3	0	0	0	111
526	Q	40.1	Very low	37.4	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	67%	0.673	S	S	*	*			trans	-92.7	109.2	178.4	-70.4	-175.6	-45.1	0	0	113
527	F	33	Very low	38.2	Very low	198 Å²	198	132.3 Å²	132.3	87%	0.868	66%	0.661	S	S	*	*			trans	-164.7	77.4	156	-152.2	-91.5	0	0	0	114.9
528	D	36	Very low	39.1	Very low	109 Å²	109	130.1 Å²	130.1	58%	0.583	66%	0.656	S	S	*	*			trans	-157.2	-9.7	163	-140.2	-2.3	0	0	0	116.5	L530 N531	D528-L530 PolarHBondContact O-N 2.91Å; D528-L530 VanDerWaalsContact O-N 3.08Å; D528-N531 PolarHBondContact O-N 2.94Å; D528-N531 PolarHBondContact OD1-ND2 3.39Å
529	E	37.2	Very low	40.3	Very low	162 Å²	162	124.4 Å²	124.4	76%	0.757	63%	0.632	S	S	*	*	H	α-helix	trans	-60.9	-28.4	-168.6	-161.8	161.3	-150.9	0	0	114.5	N531 T532	E529-N531 VanDerWaalsContact C-N 3.33Å; E529-N531 PolarHBondContact O-N 3.4Å; E529-T532 PolarHBondContact O-N 2.75Å
530	L	38.3	Very low	41.1	Very low	126 Å²	126	123.1 Å²	123.1	66%	0.66	63%	0.625	S	S	*	*	H	α-helix	trans	-68.9	-26.1	178	-163	72	0	0	0	113.5	D528 I534	D528-L530 PolarHBondContact O-N 2.91Å; D528-L530 VanDerWaalsContact O-N 3.08Å; L530-I534 WeakPolarHBondContact O-CG1 3.41Å
531	N	43.7	Very low	41.9	Very low	84 Å²	84	121.9 Å²	121.9	45%	0.449	62%	0.619	S	S	.	*	H	α-helix	trans	-74.1	-32.5	177.1	-73.8	-42.7	0	0	0	111.4	D528 E529 I534 L535	D528-N531 PolarHBondContact O-N 2.94Å; D528-N531 PolarHBondContact OD1-ND2 3.39Å; E529-N531 VanDerWaalsContact C-N 3.33Å; E529-N531 PolarHBondContact O-N 3.4Å; N531-I534 PolarHBondContact O-N 3.21Å; N531-L535 WeakPolarHBondContact O-CB 3.42Å; N531-L535 WeakPolarHBondContact O-CG 2.95Å; N531-L535 PolarHBondContact O-N 2.95Å
532	T	48.3	Very low	43	Very low	73 Å²	73	124 Å²	124	45%	0.448	61%	0.61	S	S	.	*	H	α-helix	trans	-65.6	-43	-178.2	-36.8	0	0	0	0	111.8	E529 I534 L535 N536	E529-T532 PolarHBondContact O-N 2.75Å; T532-I534 PolarHBondContact O-N 3.47Å; T532-L535 PolarHBondContact O-N 3.41Å; T532-N536 VanDerWaalsContact O-CB 3.27Å; T532-N536 WeakPolarHBondContact O-CB 3.5Å; T532-N536 PolarHBondContact O-N 3.08Å; T532-N536 PolarHBondContact O-ND2 3.22Å
533	E	46.4	Very low	44.2	Very low	126 Å²	126	121.1 Å²	121.1	59%	0.589	60%	0.601	S	S	*	*	H	α-helix	trans	-64.6	-39.5	176.1	-70.1	-164.8	132.1	0	0	112.4	N536 N537	E533-N536 PolarHBondContact O-N 3.16Å; E533-N537 WeakPolarHBondContact O-CB 3.39Å; E533-N537 PolarHBondContact O-N 3.41Å; E533-N537 PolarHBondContact O-ND2 3.44Å
534	I	49.8	Very low	45.3	Very low	95 Å²	95	117.5 Å²	117.5	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-42.5	178.6	-64.1	171.6	0	0	0	110.6	L530 N531 T532 N537 L538	L530-I534 WeakPolarHBondContact O-CG1 3.41Å; N531-I534 PolarHBondContact O-N 3.21Å; T532-I534 PolarHBondContact O-N 3.47Å; I534-N537 PolarHBondContact O-N 3.02Å; I534-L538 HydrophobicContact CG2-CD1 4.15Å; I534-L538 WeakPolarHBondContact O-CB 3.4Å; I534-L538 WeakPolarHBondContact O-CG 3.31Å; I534-L538 PolarHBondContact O-N 3.36Å
535	L	44.9	Very low	46.6	Very low	112 Å²	112	113.9 Å²	113.9	59%	0.586	57%	0.565	S	S	*	*	H	α-helix	trans	-66.3	-38.7	175.3	-72.8	170.1	0	0	0	112.3	N531 T532 L538 A539	N531-L535 WeakPolarHBondContact O-CB 3.42Å; N531-L535 WeakPolarHBondContact O-CG 2.95Å; N531-L535 PolarHBondContact O-N 2.95Å; T532-L535 PolarHBondContact O-N 3.41Å; L535-L538 PolarHBondContact O-N 3.5Å; L535-A539 VanDerWaalsContact O-CB 3.28Å; L535-A539 WeakPolarHBondContact O-CB 3.43Å; L535-A539 PolarHBondContact O-N 2.84Å
536	N	49.5	Very low	47.4	Very low	88 Å²	88	105.4 Å²	105.4	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-44.7	175.1	-71.5	-16.4	0	0	0	111.5	T532 E533 L538 A539 D540	T532-N536 VanDerWaalsContact O-CB 3.27Å; T532-N536 WeakPolarHBondContact O-CB 3.5Å; T532-N536 PolarHBondContact O-N 3.08Å; T532-N536 PolarHBondContact O-ND2 3.22Å; E533-N536 PolarHBondContact O-N 3.16Å; N536-L538 VanDerWaalsContact C-N 3.31Å; N536-L538 PolarHBondContact O-N 2.8Å; N536-A539 PolarHBondContact O-N 2.88Å; N536-D540 WeakPolarHBondContact O-CB 3.33Å; N536-D540 PolarHBondContact O-N 2.99Å
537	N	46.2	Very low	48.1	Very low	112 Å²	112	102.9 Å²	102.9	60%	0.599	52%	0.523	S	S	*	.	H	α-helix	trans	-62	-37.5	175.1	-84.3	-86.1	0	0	0	112.3	E533 I534 Q541	E533-N537 WeakPolarHBondContact O-CB 3.39Å; E533-N537 PolarHBondContact O-N 3.41Å; E533-N537 PolarHBondContact O-ND2 3.44Å; I534-N537 PolarHBondContact O-N 3.02Å; N537-Q541 WeakPolarHBondContact O-CB 3.42Å; N537-Q541 PolarHBondContact O-N 3.44Å
538	L	52.2	Low	49	Very low	96 Å²	96	95.4 Å²	95.4	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-67.7	-41.8	172.9	-75.1	167.8	0	0	0	112	I534 L535 N536 Q541 E542	I534-L538 HydrophobicContact CG2-CD1 4.15Å; I534-L538 WeakPolarHBondContact O-CB 3.4Å; I534-L538 WeakPolarHBondContact O-CG 3.31Å; I534-L538 PolarHBondContact O-N 3.36Å; L535-L538 PolarHBondContact O-N 3.5Å; N536-L538 VanDerWaalsContact C-N 3.31Å; N536-L538 PolarHBondContact O-N 2.8Å; L538-Q541 PolarHBondContact O-N 2.79Å; L538-E542 WeakPolarHBondContact O-CB 3.32Å; L538-E542 PolarHBondContact O-N 3.49Å
539	A	51.8	Low	49.7	Very low	47 Å²	47	94.4 Å²	94.4	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-67.1	-38.5	177.6	0	0	0	0	0	112.4	L535 N536 E542 L543	L535-A539 VanDerWaalsContact O-CB 3.28Å; L535-A539 WeakPolarHBondContact O-CB 3.43Å; L535-A539 PolarHBondContact O-N 2.84Å; N536-A539 PolarHBondContact O-N 2.88Å; A539-E542 PolarHBondContact O-N 3.49Å; A539-L543 VanDerWaalsContact O-CB 3.3Å; A539-L543 WeakPolarHBondContact O-CB 3.46Å; A539-L543 PolarHBondContact O-N 3.44Å
540	D	51.7	Low	50.3	Low	93 Å²	93	91.8 Å²	91.8	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-69.7	-41.1	173.8	-84.2	-28.8	0	0	0	111.6	N536 E542 L543 Q544	N536-D540 WeakPolarHBondContact O-CB 3.33Å; N536-D540 PolarHBondContact O-N 2.99Å; D540-E542 VanDerWaalsContact C-N 3.33Å; D540-E542 PolarHBondContact O-N 3.41Å; D540-L543 PolarHBondContact O-N 3.39Å; D540-Q544 WeakPolarHBondContact O-CB 3.26Å; D540-Q544 VanDerWaalsContact O-CG 3.26Å; D540-Q544 WeakPolarHBondContact O-CG 3.4Å; D540-Q544 PolarHBondContact O-N 2.94Å
541	Q	51.9	Low	50.9	Low	126 Å²	126	87.7 Å²	87.7	59%	0.589	46%	0.455	S	S	*	.	H	α-helix	trans	-64.9	-37.8	173.8	-171.4	170	101.2	0	0	111.4	N537 L538 L545	N537-Q541 WeakPolarHBondContact O-CB 3.42Å; N537-Q541 PolarHBondContact O-N 3.44Å; L538-Q541 PolarHBondContact O-N 2.79Å; Q541-L545 WeakPolarHBondContact O-CB 3.3Å; Q541-L545 PolarHBondContact O-N 3.27Å
542	E	53.7	Low	51.3	Low	116 Å²	116	86.2 Å²	86.2	54%	0.542	45%	0.447	S	S	.	.	H	α-helix	trans	-70.1	-36.9	172.3	-180	156.2	-142.6	0	0	112.3	L538 A539 D540 L545 N546	L538-E542 WeakPolarHBondContact O-CB 3.32Å; L538-E542 PolarHBondContact O-N 3.49Å; A539-E542 PolarHBondContact O-N 3.49Å; D540-E542 VanDerWaalsContact C-N 3.33Å; D540-E542 PolarHBondContact O-N 3.41Å; E542-L545 CarbonylContact O-C 3.49Å; E542-L545 PolarHBondContact O-N 2.77Å; E542-N546 VanDerWaalsContact CG-ND2 3.33Å; E542-N546 WeakPolarHBondContact CG-ND2 3.34Å; E542-N546 WeakPolarHBondContact O-CB 3.3Å; E542-N546 PolarHBondContact O-N 2.76Å; E542-N546 PolarHBondContact O-ND2 2.78Å; E542-N546 VanDerWaalsContact O-ND2 3.14Å
543	L	59.4	Low	51.3	Low	87 Å²	87	86.8 Å²	86.8	46%	0.455	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-48	171.9	-94.1	163.8	0	0	0	111.4	A539 D540 L545 N546 H547	A539-L543 VanDerWaalsContact O-CB 3.3Å; A539-L543 WeakPolarHBondContact O-CB 3.46Å; A539-L543 PolarHBondContact O-N 3.44Å; D540-L543 PolarHBondContact O-N 3.39Å; L543-L545 PolarHBondContact O-N 3.47Å; L543-N546 CarbonylContact O-C 3.51Å; L543-N546 PolarHBondContact O-N 3.18Å; L543-H547 PolarHBondContact O-CD2 3.46Å; L543-H547 PolarHBondContact O-N 2.77Å
544	Q	55.8	Low	51.5	Low	69 Å²	69	84.9 Å²	84.9	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-57.5	-48.3	174.4	-72.7	-69.3	-25.1	0	0	110.7	A97 D540 N546 H547 L548	A97-Q544 PolarHBondContact O-NE2 3.21Å; A97-Q544 PolarHBondContact O-OE1 3.04Å; D540-Q544 WeakPolarHBondContact O-CB 3.26Å; D540-Q544 VanDerWaalsContact O-CG 3.26Å; D540-Q544 WeakPolarHBondContact O-CG 3.4Å; D540-Q544 PolarHBondContact O-N 2.94Å; Q544-N546 VanDerWaalsContact C-N 3.28Å; Q544-N546 PolarHBondContact O-N 3.17Å; Q544-H547 PolarHBondContact O-N 2.84Å; Q544-L548 VanDerWaalsContact O-CB 3.22Å; Q544-L548 WeakPolarHBondContact O-CB 3.2Å; Q544-L548 PolarHBondContact O-N 2.94Å
545	L	56.9	Low	51.3	Low	57 Å²	57	84 Å²	84	30%	0.298	44%	0.442	S	S	.	.	H	α-helix	trans	-57.7	-39.5	172.3	-92.1	165.8	0	0	0	112.1	Q541 E542 L543 K549	Q541-L545 WeakPolarHBondContact O-CB 3.3Å; Q541-L545 PolarHBondContact O-N 3.27Å; E542-L545 CarbonylContact O-C 3.49Å; E542-L545 PolarHBondContact O-N 2.77Å; L543-L545 PolarHBondContact O-N 3.47Å; L545-K549 VanDerWaalsContact O-CB 3.22Å; L545-K549 WeakPolarHBondContact O-CB 3.5Å; L545-K549 VanDerWaalsContact O-CD 3.3Å; L545-K549 WeakPolarHBondContact O-CD 3.36Å; L545-K549 WeakPolarHBondContact O-CG 3.18Å; L545-K549 PolarHBondContact O-N 3.44Å
546	N	47.7	Very low	51.5	Low	58 Å²	58	85.2 Å²	85.2	31%	0.31	44%	0.443	S	S	.	.	H	α-helix	trans	-77.1	-35.1	-178.2	-71.9	-24.2	0	0	0	112.7	E542 L543 Q544 K549 N550	E542-N546 VanDerWaalsContact CG-ND2 3.33Å; E542-N546 WeakPolarHBondContact CG-ND2 3.34Å; E542-N546 WeakPolarHBondContact O-CB 3.3Å; E542-N546 PolarHBondContact O-N 2.76Å; E542-N546 PolarHBondContact O-ND2 2.78Å; E542-N546 VanDerWaalsContact O-ND2 3.14Å; L543-N546 CarbonylContact O-C 3.51Å; L543-N546 PolarHBondContact O-N 3.18Å; Q544-N546 VanDerWaalsContact C-N 3.28Å; Q544-N546 PolarHBondContact O-N 3.17Å; N546-K549 WeakPolarHBondContact OD1-CD 3.45Å; N546-K549 PolarHBondContact OD1-NZ 2.74Å; N546-N550 WeakPolarHBondContact O-CB 3.06Å; N546-N550 PolarHBondContact O-N 3.14Å; N546-N550 PolarHBondContact O-ND2 3.26Å
547	H	55.5	Low	52.3	Low	127 Å²	127	82 Å²	82	59%	0.588	43%	0.431	S	S	*	.	H	α-helix	trans	-64.2	-41.8	168.8	-80.5	-77.3	0	0	0	111.3	L543 Q544 N550 S551	L543-H547 PolarHBondContact O-CD2 3.46Å; L543-H547 PolarHBondContact O-N 2.77Å; Q544-H547 PolarHBondContact O-N 2.84Å; H547-N550 PolarHBondContact O-N 2.79Å; H547-S551 PolarHBondContact O-N 3.06Å
548	L	51.7	Low	53.3	Low	40 Å²	40	79.3 Å²	79.3	21%	0.209	42%	0.424	C	S	.	.	H	α-helix	trans	-64.3	-50.4	174.8	-172.5	57.7	0	0	0	111.5	D51 L63 Q544 N550 S551 I552	D51-L548 HydrophobicContact CB-CD2 4.28Å; L63-L548 HydrophobicContact CD1-CD2 3.81Å; Q544-L548 VanDerWaalsContact O-CB 3.22Å; Q544-L548 WeakPolarHBondContact O-CB 3.2Å; Q544-L548 PolarHBondContact O-N 2.94Å; L548-N550 VanDerWaalsContact C-N 3.31Å; L548-N550 PolarHBondContact O-N 2.96Å; L548-S551 PolarHBondContact O-N 3.4Å; L548-I552 HydrophobicContact CD1-CD1 4.44Å; L548-I552 HydrophobicContact CG-CD1 4.09Å; L548-I552 VanDerWaalsContact O-CG1 3.28Å; L548-I552 WeakPolarHBondContact O-CG1 3.36Å; L548-I552 PolarHBondContact O-N 3Å
549	K	50.3	Low	54	Low	89 Å²	89	78.4 Å²	78.4	39%	0.387	43%	0.431	S	S	.	.	H	α-helix	trans	-58.6	-37.1	173.5	-72.6	162	-164.3	164.5	0	112.5	L545 N546 I552 T553	L545-K549 VanDerWaalsContact O-CB 3.22Å; L545-K549 WeakPolarHBondContact O-CB 3.5Å; L545-K549 VanDerWaalsContact O-CD 3.3Å; L545-K549 WeakPolarHBondContact O-CD 3.36Å; L545-K549 WeakPolarHBondContact O-CG 3.18Å; L545-K549 PolarHBondContact O-N 3.44Å; N546-K549 WeakPolarHBondContact OD1-CD 3.45Å; N546-K549 PolarHBondContact OD1-NZ 2.74Å; K549-I552 PolarHBondContact O-N 2.83Å; K549-T553 WeakPolarHBondContact O-CB 3.22Å; K549-T553 PolarHBondContact O-N 2.78Å; K549-T553 PolarHBondContact O-OG1 3.35Å
550	N	49.8	Very low	54.7	Low	107 Å²	107	76.8 Å²	76.8	57%	0.572	42%	0.418	S	S	*	.	H	α-helix	trans	-70.4	-40.2	176.7	-77.4	-33.9	0	0	0	111.6	N546 H547 L548 I552 T553 S554	N546-N550 WeakPolarHBondContact O-CB 3.06Å; N546-N550 PolarHBondContact O-N 3.14Å; N546-N550 PolarHBondContact O-ND2 3.26Å; H547-N550 PolarHBondContact O-N 2.79Å; L548-N550 VanDerWaalsContact C-N 3.31Å; L548-N550 PolarHBondContact O-N 2.96Å; N550-I552 VanDerWaalsContact C-N 3.33Å; N550-I552 PolarHBondContact O-N 3.03Å; N550-T553 PolarHBondContact O-N 3.16Å; N550-S554 WeakPolarHBondContact O-CB 3.3Å; N550-S554 PolarHBondContact O-N 2.96Å
551	S	52	Low	55.8	Low	39 Å²	39	76.3 Å²	76.3	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-61.3	-40.8	169.5	178.6	0	0	0	0	111.7	K124 H547 L548 S554 Y555	K124-S551 PolarHBondContact NZ-OG 3.13Å; H547-S551 PolarHBondContact O-N 3.06Å; L548-S551 PolarHBondContact O-N 3.4Å; S551-S554 PolarHBondContact O-N 2.99Å; S551-Y555 PolarHBondContact O-N 3.35Å; S551-Y555 VanDerWaalsContact O-N 3.16Å
552	I	52.3	Low	57	Low	53 Å²	53	73.9 Å²	73.9	27%	0.272	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-42.1	175.9	-71.2	164.1	0	0	0	111.3	L63 L548 K549 N550 S554 Y555 F556	L63-I552 HydrophobicContact CD2-CD1 4.01Å; L548-I552 HydrophobicContact CD1-CD1 4.44Å; L548-I552 HydrophobicContact CG-CD1 4.09Å; L548-I552 VanDerWaalsContact O-CG1 3.28Å; L548-I552 WeakPolarHBondContact O-CG1 3.36Å; L548-I552 PolarHBondContact O-N 3Å; K549-I552 PolarHBondContact O-N 2.83Å; N550-I552 VanDerWaalsContact C-N 3.33Å; N550-I552 PolarHBondContact O-N 3.03Å; I552-S554 VanDerWaalsContact C-N 3.3Å; I552-S554 PolarHBondContact O-N 3.15Å; I552-Y555 PolarHBondContact O-N 3.35Å; I552-F556 HydrophobicContact CG2-CD2 4.1Å; I552-F556 PolarHBondContact O-N 2.69Å
553	T	48.5	Very low	57.8	Low	85 Å²	85	72.6 Å²	72.6	52%	0.521	41%	0.409	S	S	.	.	H	α-helix	trans	-67.3	-33.6	178.9	-55.9	0	0	0	0	111.4	K549 N550 Y555 G557	K549-T553 WeakPolarHBondContact O-CB 3.22Å; K549-T553 PolarHBondContact O-N 2.78Å; K549-T553 PolarHBondContact O-OG1 3.35Å; N550-T553 PolarHBondContact O-N 3.16Å; T553-Y555 VanDerWaalsContact C-N 3.31Å; T553-G557 VanDerWaalsContact O-CA 3.3Å; T553-G557 WeakPolarHBondContact O-CA 3.15Å; T553-G557 PolarHBondContact O-N 3.31Å; T553-G557 VanDerWaalsContact O-N 3.13Å
554	S	50.2	Low	58.2	Low	87 Å²	87	73 Å²	73	61%	0.608	42%	0.418	S	S	*	.	H	α-helix	trans	-66.7	-29.4	170.7	-173.8	0	0	0	0	113	N550 S551 I552	N550-S554 WeakPolarHBondContact O-CB 3.3Å; N550-S554 PolarHBondContact O-N 2.96Å; S551-S554 PolarHBondContact O-N 2.99Å; I552-S554 VanDerWaalsContact C-N 3.3Å; I552-S554 PolarHBondContact O-N 3.15Å
555	Y	44.8	Very low	59.2	Low	76 Å²	76	72.7 Å²	72.7	30%	0.298	43%	0.433	S	S	.	.	H	α-helix	trans	-86.4	-52.4	179.2	-98.3	-131.1	0	0	0	114.4	A157 T158 S551 I552 T553	A157-Y555 WeakPolarHBondContact CB-OH 3.28Å; A157-Y555 PolarHBondContact O-OH 2.8Å; A157-Y555 VanDerWaalsContact O-OH 3.08Å; T158-Y555 VanDerWaalsContact CA-OH 3.29Å; T158-Y555 WeakPolarHBondContact CA-OH 3.36Å; T158-Y555 HydrophobicContact CG2-CE2 4.11Å; T158-Y555 WeakPolarHBondContact CG2-OH 3.2Å; T158-Y555 PolarHBondContact N-OH 2.91Å; T158-Y555 VanDerWaalsContact N-OH 3.11Å; S551-Y555 PolarHBondContact O-N 3.35Å; S551-Y555 VanDerWaalsContact O-N 3.16Å; I552-Y555 PolarHBondContact O-N 3.35Å; T553-Y555 VanDerWaalsContact C-N 3.31Å
556	F	49.6	Very low	60.3	Low	138 Å²	138	73.7 Å²	73.7	61%	0.605	44%	0.436	S	S	*	.	H	α-helix	trans	-110.7	-14.1	-166.5	-62	-77.5	0	0	0	113.7	I552 R561	I552-F556 HydrophobicContact CG2-CD2 4.1Å; I552-F556 PolarHBondContact O-N 2.69Å; F556-R561 PolarHBondContact O-NE 2.72Å; F556-R561 VanDerWaalsContact O-NE 3.12Å
557	G	66.3	Low	61.9	Low	20 Å²	20	77.8 Å²	77.8	21%	0.206	45%	0.451	C	S	.	.	S	Bend	trans	-69	166.8	177.1	0	0	0	0	0	113.1	T553 A559 G560 R561	T553-G557 VanDerWaalsContact O-CA 3.3Å; T553-G557 WeakPolarHBondContact O-CA 3.15Å; T553-G557 PolarHBondContact O-N 3.31Å; T553-G557 VanDerWaalsContact O-N 3.13Å; G557-A559 VanDerWaalsContact C-N 3.25Å; G557-A559 PolarHBondContact O-N 2.88Å; G557-A559 VanDerWaalsContact O-N 3.15Å; G557-G560 PolarHBondContact O-N 3.31Å; G557-R561 PolarHBondContact O-N 3.28Å; G557-R561 VanDerWaalsContact O-N 3.16Å
558	A	66.4	Low	63.3	Low	56 Å²	56	76.5 Å²	76.5	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-54.8	-37.7	-173.7	0	0	0	0	0	113.6	R561 I562 W587	A558-R561 PolarHBondContact O-N 3.28Å; A558-I562 WeakPolarHBondContact O-CG1 3.34Å; A558-I562 PolarHBondContact O-N 2.64Å; A558-W587 HydrophobicContact CB-CZ2 4.03Å
559	A	66.9	Low	65	Low	77 Å²	77	81.4 Å²	81.4	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-62.5	-42.7	177.5	0	0	0	0	0	112.7	G557 A563	G557-A559 VanDerWaalsContact C-N 3.25Å; G557-A559 PolarHBondContact O-N 2.88Å; G557-A559 VanDerWaalsContact O-N 3.15Å; A559-A563 WeakPolarHBondContact O-CB 3.44Å; A559-A563 PolarHBondContact O-N 3.43Å
560	G	68.1	Low	66.8	Low	12 Å²	12	80.6 Å²	80.6	12%	0.124	46%	0.46	C	S	.	.	H	α-helix	trans	-64.3	-42.2	176	0	0	0	0	0	112.1	G557 A563 C564	G557-G560 PolarHBondContact O-N 3.31Å; G560-A563 PolarHBondContact O-N 3.04Å; G560-C564 WeakPolarHBondContact O-CB 3.43Å; G560-C564 PolarHBondContact O-N 3.1Å; G560-C564 PolarHBondContact O-SG 3.37Å
561	R	74.9	Confident	68.4	Low	83 Å²	83	80.1 Å²	80.1	31%	0.313	46%	0.457	S	S	.	.	H	α-helix	trans	-64.1	-43.4	176.5	-67.7	173.9	177	-112	10.9	113.2	F556 G557 A558 C564 G565 E566 W587	F556-R561 PolarHBondContact O-NE 2.72Å; F556-R561 VanDerWaalsContact O-NE 3.12Å; G557-R561 PolarHBondContact O-N 3.28Å; G557-R561 VanDerWaalsContact O-N 3.16Å; A558-R561 PolarHBondContact O-N 3.28Å; R561-C564 PolarHBondContact O-N 3.26Å; R561-G565 PolarHBondContact O-N 3Å; R561-E566 HydrophobicContact CB-CB 4.4Å; R561-E566 WeakPolarHBondContact CD-OE2 3.4Å; R561-E566 WeakPolarHBondContact CG-OE2 3.39Å; R561-E566 IonicContact CZ-OE2 2.67Å; R561-E566 IonicContact NE-OE2 2.97Å; R561-E566 IonicContact NH1-OE2 2.72Å; R561-E566 PolarHBondContact NH1-OE2 3.04Å; R561-E566 WeakPolarHBondContact O-CB 3.36Å; R561-E566 PolarHBondContact O-N 3.08Å; R561-W587 HydrophobicContact CB-CE3 4.31Å; R561-W587 HydrophobicContact CB-CH2 3.29Å; R561-W587 HydrophobicContact CB-CZ2 3.89Å; R561-W587 HydrophobicContact CB-CZ3 3.54Å; R561-W587 HydrophobicContact CG-CH2 4.37Å
562	I	75.6	Confident	69.8	Low	75 Å²	75	80.6 Å²	80.6	39%	0.385	46%	0.463	S	S	.	.	H	α-helix	trans	-59.3	-48.2	172	-66.5	-179.7	0	0	0	110	A558 C564 G565 Y568 W587	A558-I562 WeakPolarHBondContact O-CG1 3.34Å; A558-I562 PolarHBondContact O-N 2.64Å; I562-C564 VanDerWaalsContact C-N 3.25Å; I562-C564 PolarHBondContact O-N 2.84Å; I562-G565 PolarHBondContact O-N 3.02Å; I562-Y568 HydrophobicContact CB-CE1 4.32Å; I562-Y568 HydrophobicContact CD1-CE1 4.34Å; I562-Y568 HydrophobicContact CG1-CD1 4.16Å; I562-Y568 HydrophobicContact CG1-CE1 3.77Å; I562-Y568 HydrophobicContact CG2-CE1 4.07Å; I562-W587 HydrophobicContact CG1-CH2 3.83Å
563	A	70.4	Confident	71.6	Confident	90 Å²	90	85 Å²	85	74%	0.744	48%	0.476	S	S	*	.	H	α-helix	trans	-63.8	-28.8	179.7	0	0	0	0	0	113.3	A559 G560 G565	A559-A563 WeakPolarHBondContact O-CB 3.44Å; A559-A563 PolarHBondContact O-N 3.43Å; G560-A563 PolarHBondContact O-N 3.04Å; A563-G565 PolarHBondContact O-N 3.28Å
564	C	69.6	Low	73.4	Confident	95 Å²	95	88.8 Å²	88.8	64%	0.642	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.9	173.6	-70.7	0	0	0	0	114.3	G560 R561 I562 E566	G560-C564 WeakPolarHBondContact O-CB 3.43Å; G560-C564 PolarHBondContact O-N 3.1Å; G560-C564 PolarHBondContact O-SG 3.37Å; R561-C564 PolarHBondContact O-N 3.26Å; I562-C564 VanDerWaalsContact C-N 3.25Å; I562-C564 PolarHBondContact O-N 2.84Å; C564-E566 VanDerWaalsContact C-N 3.29Å; C564-E566 PolarHBondContact O-N 2.73Å
565	G	75.9	Confident	75.3	Confident	62 Å²	62	88.4 Å²	88.4	64%	0.639	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	22.6	-177.4	0	0	0	0	0	114	R561 I562 A563	R561-G565 PolarHBondContact O-N 3Å; I562-G565 PolarHBondContact O-N 3.02Å; A563-G565 PolarHBondContact O-N 3.28Å
566	E	79.8	Confident	77.1	Confident	78 Å²	78	86.6 Å²	86.6	36%	0.364	47%	0.472	S	S	.	.			trans	-64.8	135.9	172.5	-166	161.6	-89.4	0	0	109.3	R561 C564 Y568 W587	R561-E566 HydrophobicContact CB-CB 4.4Å; R561-E566 WeakPolarHBondContact CD-OE2 3.4Å; R561-E566 WeakPolarHBondContact CG-OE2 3.39Å; R561-E566 IonicContact CZ-OE2 2.67Å; R561-E566 IonicContact NE-OE2 2.97Å; R561-E566 IonicContact NH1-OE2 2.72Å; R561-E566 PolarHBondContact NH1-OE2 3.04Å; R561-E566 WeakPolarHBondContact O-CB 3.36Å; R561-E566 PolarHBondContact O-N 3.08Å; C564-E566 VanDerWaalsContact C-N 3.29Å; C564-E566 PolarHBondContact O-N 2.73Å; E566-Y568 WeakPolarHBondContact O-CD1 3.27Å; E566-W587 HydrophobicContact CB-CE3 4.25Å; E566-W587 HydrophobicContact CB-CZ3 4.08Å; E566-W587 HydrophobicContact CG-CE3 4.02Å; E566-W587 HydrophobicContact CG-CZ3 4.35Å
567	K	80.5	Confident	78.4	Confident	144 Å²	144	89.2 Å²	89.2	63%	0.626	49%	0.491	S	S	*	.			trans	-73	135.2	-174.5	-75.1	-165.6	-175.1	-179.4	0	111.6	E588	K567-E588 HydrophobicContact CB-CB 3.89Å; K567-E588 HydrophobicContact CB-CG 4.16Å; K567-E588 WeakPolarHBondContact CD-OE2 3.2Å; K567-E588 IonicContact NZ-OE2 3.1Å; K567-E588 PolarHBondContact NZ-OE2 3.15Å; K567-E588 PolarHBondContact O-N 2.8Å
568	Y	86.7	Confident	79.3	Confident	101 Å²	101	92.7 Å²	92.7	40%	0.396	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159	-179.6	68.4	-93.4	0	0	0	113.4	I562 E566 V570 V585 E586 W587	I562-Y568 HydrophobicContact CB-CE1 4.32Å; I562-Y568 HydrophobicContact CD1-CE1 4.34Å; I562-Y568 HydrophobicContact CG1-CD1 4.16Å; I562-Y568 HydrophobicContact CG1-CE1 3.77Å; I562-Y568 HydrophobicContact CG2-CE1 4.07Å; E566-Y568 WeakPolarHBondContact O-CD1 3.27Å; Y568-V570 HydrophobicContact CD2-CG2 4.3Å; Y568-V570 HydrophobicContact CE2-CG2 4.06Å; Y568-V585 HydrophobicContact CD2-CG1 3.65Å; Y568-V585 HydrophobicContact CG-CG1 3.82Å; Y568-E586 CarbonylContact C-O 3.59Å; Y568-E586 WeakPolarHBondContact CA-O 3.2Å; Y568-E586 WeakPolarHBondContact CB-O 3.45Å; Y568-W587 HydrophobicContact CD1-CH2 4.47Å; Y568-W587 AromaticContact CD1-CZ3 3.95Å; Y568-W587 HydrophobicContact CD1-CZ3 3.95Å; Y568-W587 HydrophobicContact CG-CZ3 4.2Å
569	R	86.1	Confident	79.9	Confident	143 Å²	143	92.4 Å²	92.4	54%	0.54	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.7	174.9	-175.1	165	64.1	177.6	1.1	109.5	L571 E586	R569-L571 HydrophobicContact CG-CD2 4.46Å; R569-E586 IonicContact CZ-OE2 2.66Å; R569-E586 PolarHBondContact N-O 2.86Å; R569-E586 IonicContact NE-OE2 2.64Å; R569-E586 PolarHBondContact NE-OE2 2.95Å; R569-E586 IonicContact NH2-OE1 2.72Å; R569-E586 PolarHBondContact NH2-OE1 3.49Å; R569-E586 IonicContact NH2-OE2 3.31Å; R569-E586 PolarHBondContact NH2-OE2 2.72Å; R569-E586 PolarHBondContact O-N 2.56Å
570	V	88.3	Confident	80.5	Confident	72 Å²	72	95 Å²	95	44%	0.436	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.8	175.3	178.3	0	0	0	0	108.5	Y568 Y583	Y568-V570 HydrophobicContact CD2-CG2 4.3Å; Y568-V570 HydrophobicContact CE2-CG2 4.06Å; V570-Y583 HydrophobicContact CG1-CD1 3.84Å
571	L	82.8	Confident	81.3	Confident	97 Å²	97	97.4 Å²	97.4	51%	0.508	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-34.2	179.4	-65.4	-175.5	0	0	0	112.7	R569 L584 E586	R569-L571 HydrophobicContact CG-CD2 4.46Å; L571-L584 HydrophobicContact CB-CD2 4.1Å; L571-L584 HydrophobicContact CB-CG 4.21Å; L571-L584 PolarHBondContact N-O 3.09Å; L571-E586 HydrophobicContact CD1-CB 3.8Å; L571-E586 HydrophobicContact CD1-CG 4.41Å; L571-E586 HydrophobicContact CD2-CB 4.4Å; L571-E586 HydrophobicContact CG-CB 3.87Å
572	A	81.6	Confident	81.9	Confident	48 Å²	48	97 Å²	97	40%	0.397	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.5	178.3	0	0	0	0	0	112	Y583 L584	A572-Y583 WeakPolarHBondContact O-CA 3.28Å; A572-L584 HydrophobicContact CB-CB 3.95Å; A572-L584 HydrophobicContact CB-CD2 4.34Å; A572-L584 PolarHBondContact N-O 2.96Å; A572-L584 PolarHBondContact O-N 2.88Å
573	R	90.4	Very high	82.4	Confident	146 Å²	146	99.7 Å²	99.7	55%	0.551	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.7	172.5	177.5	-172.4	175.8	-86	-3.1	108.8	V581 Q582 Y583	R573-V581 HydrophobicContact CG-CG1 3.91Å; R573-V581 VanDerWaalsContact NE-CG1 3.3Å; R573-Q582 WeakPolarHBondContact CA-O 3.41Å; R573-Y583 HydrophobicContact CB-CD1 3.94Å; R573-Y583 HydrophobicContact CB-CE1 4.02Å; R573-Y583 HydrophobicContact CG-CD1 3.93Å; R573-Y583 HydrophobicContact CG-CE1 3.64Å
574	R	86.9	Confident	83	Confident	165 Å²	165	100.4 Å²	100.4	62%	0.623	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	157.3	168.6	70.3	-178.5	-176.2	-167.2	1.2	110.9	Q582	R574-Q582 HydrophobicContact CG-CB 3.92Å; R574-Q582 VanDerWaalsContact CZ-OE1 3.24Å; R574-Q582 PolarHBondContact N-O 3.42Å; R574-Q582 PolarHBondContact O-N 2.66Å; R574-Q582 VanDerWaalsContact O-O 3.13Å
575	V	89.3	Confident	83.7	Confident	79 Å²	79	97.7 Å²	97.7	48%	0.479	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.1	165.8	-171.5	0	0	0	0	105.7	K580 V581	V575-K580 WeakPolarHBondContact CA-O 3.45Å; V575-V581 HydrophobicContact CG2-CG2 4.32Å
576	T	83.8	Confident	84.1	Confident	38 Å²	38	98.2 Å²	98.2	23%	0.233	48%	0.481	C	S	.	.			trans	-82.4	164.3	176.3	41.1	0	0	0	0	110.5	D578 G579 K580	T576-D578 WeakPolarHBondContact CB-OD1 3.28Å; T576-D578 PolarHBondContact O-N 2.95Å; T576-D578 VanDerWaalsContact O-N 3.15Å; T576-D578 PolarHBondContact OG1-OD1 3.33Å; T576-G579 PolarHBondContact O-N 3.3Å; T576-K580 PolarHBondContact N-O 2.88Å; T576-K580 PolarHBondContact OG1-O 2.87Å; T576-K580 VanDerWaalsContact OG1-O 3.09Å
577	L	77.1	Confident	84.2	Confident	193 Å²	193	96.9 Å²	96.9	100%	1.01	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.5	-173.9	-62.8	174.7	0	0	0	113.5	G579	L577-G579 PolarHBondContact O-N 2.85Å
578	D	85.3	Confident	83.8	Confident	92 Å²	92	96.1 Å²	96.1	49%	0.492	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	11.9	171.5	68.1	-16.2	0	0	0	113.7	T576 K580	T576-D578 WeakPolarHBondContact CB-OD1 3.28Å; T576-D578 PolarHBondContact O-N 2.95Å; T576-D578 VanDerWaalsContact O-N 3.15Å; T576-D578 PolarHBondContact OG1-OD1 3.33Å; D578-K580 PolarHBondContact O-N 3.44Å; D578-K580 PolarHBondContact OD1-N 2.84Å; D578-K580 WeakPolarHBondContact OD2-CD 3.43Å; D578-K580 VanDerWaalsContact OD2-CE 3.28Å; D578-K580 WeakPolarHBondContact OD2-CE 3.39Å; D578-K580 WeakPolarHBondContact OD2-CG 3.33Å; D578-K580 IonicContact OD2-NZ 2.77Å; D578-K580 PolarHBondContact OD2-NZ 3.48Å
579	G	77.9	Confident	82.6	Confident	50 Å²	50	93.9 Å²	93.9	52%	0.515	48%	0.479	S	S	.	.	S	Bend	trans	76.2	-3.8	178.3	0	0	0	0	0	115.3	T576 L577 V581	T576-G579 PolarHBondContact O-N 3.3Å; L577-G579 PolarHBondContact O-N 2.85Å; G579-V581 PolarHBondContact O-N 2.85Å
580	K	79.4	Confident	80.6	Confident	131 Å²	131	92.3 Å²	92.3	57%	0.57	50%	0.497	S	S	*	.			trans	-68.6	134.3	179.1	-62.6	-177.6	-172.7	118.5	0	110.6	V575 T576 D578	V575-K580 WeakPolarHBondContact CA-O 3.45Å; T576-K580 PolarHBondContact N-O 2.88Å; T576-K580 PolarHBondContact OG1-O 2.87Å; T576-K580 VanDerWaalsContact OG1-O 3.09Å; D578-K580 PolarHBondContact O-N 3.44Å; D578-K580 PolarHBondContact OD1-N 2.84Å; D578-K580 WeakPolarHBondContact OD2-CD 3.43Å; D578-K580 VanDerWaalsContact OD2-CE 3.28Å; D578-K580 WeakPolarHBondContact OD2-CE 3.39Å; D578-K580 WeakPolarHBondContact OD2-CG 3.33Å; D578-K580 IonicContact OD2-NZ 2.77Å; D578-K580 PolarHBondContact OD2-NZ 3.48Å
581	V	85.4	Confident	78.5	Confident	63 Å²	63	93.4 Å²	93.4	38%	0.382	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.1	176.4	-171.7	0	0	0	0	108.9	R573 V575 G579 Y583	R573-V581 HydrophobicContact CG-CG1 3.91Å; R573-V581 VanDerWaalsContact NE-CG1 3.3Å; V575-V581 HydrophobicContact CG2-CG2 4.32Å; G579-V581 PolarHBondContact O-N 2.85Å; V581-Y583 HydrophobicContact CB-CE2 4.25Å; V581-Y583 HydrophobicContact CG1-CD2 4.24Å; V581-Y583 HydrophobicContact CG1-CE1 4.5Å; V581-Y583 HydrophobicContact CG1-CE2 3.47Å; V581-Y583 VanDerWaalsContact CG1-CE2 3.47Å
582	Q	86.3	Confident	76.3	Confident	74 Å²	74	93.8 Å²	93.8	35%	0.346	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.2	179.9	-64.5	-179.2	-9.2	0	0	110.1	R573 R574	R573-Q582 WeakPolarHBondContact CA-O 3.41Å; R574-Q582 HydrophobicContact CG-CB 3.92Å; R574-Q582 VanDerWaalsContact CZ-OE1 3.24Å; R574-Q582 PolarHBondContact N-O 3.42Å; R574-Q582 PolarHBondContact O-N 2.66Å; R574-Q582 VanDerWaalsContact O-O 3.13Å
583	Y	86.2	Confident	74	Confident	132 Å²	132	100.3 Å²	100.3	52%	0.518	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	133.8	-177.2	-64.6	-92.4	0	0	0	109.8	V570 A572 R573 V581	V570-Y583 HydrophobicContact CG1-CD1 3.84Å; A572-Y583 WeakPolarHBondContact O-CA 3.28Å; R573-Y583 HydrophobicContact CB-CD1 3.94Å; R573-Y583 HydrophobicContact CB-CE1 4.02Å; R573-Y583 HydrophobicContact CG-CD1 3.93Å; R573-Y583 HydrophobicContact CG-CE1 3.64Å; V581-Y583 HydrophobicContact CB-CE2 4.25Å; V581-Y583 HydrophobicContact CG1-CD2 4.24Å; V581-Y583 HydrophobicContact CG1-CE1 4.5Å; V581-Y583 HydrophobicContact CG1-CE2 3.47Å; V581-Y583 VanDerWaalsContact CG1-CE2 3.47Å
584	L	84.6	Confident	73.1	Confident	106 Å²	106	98.1 Å²	98.1	56%	0.555	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.7	120.7	165.6	-178.4	64.2	0	0	0	107.7	L571 A572	L571-L584 HydrophobicContact CB-CD2 4.1Å; L571-L584 HydrophobicContact CB-CG 4.21Å; L571-L584 PolarHBondContact N-O 3.09Å; A572-L584 HydrophobicContact CB-CB 3.95Å; A572-L584 HydrophobicContact CB-CD2 4.34Å; A572-L584 PolarHBondContact N-O 2.96Å; A572-L584 PolarHBondContact O-N 2.88Å
585	V	84.1	Confident	72.4	Confident	37 Å²	37	94.5 Å²	94.5	22%	0.224	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	128.8	-171.3	-179	0	0	0	0	109.7	Y568 W587	Y568-V585 HydrophobicContact CD2-CG1 3.65Å; Y568-V585 HydrophobicContact CG-CG1 3.82Å; V585-W587 HydrophobicContact CG1-CH2 4.45Å; V585-W587 HydrophobicContact CG1-CZ2 4.07Å
586	E	83	Confident	71.5	Confident	74 Å²	74	95.4 Å²	95.4	35%	0.346	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	137.9	174.7	177.3	-170.1	-129.2	0	0	108.6	Y568 R569 L571	Y568-E586 CarbonylContact C-O 3.59Å; Y568-E586 WeakPolarHBondContact CA-O 3.2Å; Y568-E586 WeakPolarHBondContact CB-O 3.45Å; R569-E586 IonicContact CZ-OE2 2.66Å; R569-E586 PolarHBondContact N-O 2.86Å; R569-E586 IonicContact NE-OE2 2.64Å; R569-E586 PolarHBondContact NE-OE2 2.95Å; R569-E586 IonicContact NH2-OE1 2.72Å; R569-E586 PolarHBondContact NH2-OE1 3.49Å; R569-E586 IonicContact NH2-OE2 3.31Å; R569-E586 PolarHBondContact NH2-OE2 2.72Å; R569-E586 PolarHBondContact O-N 2.56Å; L571-E586 HydrophobicContact CD1-CB 3.8Å; L571-E586 HydrophobicContact CD1-CG 4.41Å; L571-E586 HydrophobicContact CD2-CB 4.4Å; L571-E586 HydrophobicContact CG-CB 3.87Å
587	W	83.3	Confident	70.8	Confident	50 Å²	50	98.8 Å²	98.8	19%	0.189	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.1	138.4	-176.5	-58.9	95.3	0	0	0	110.6	A558 R561 I562 E566 Y568 V585 G589	A558-W587 HydrophobicContact CB-CZ2 4.03Å; R561-W587 HydrophobicContact CB-CE3 4.31Å; R561-W587 HydrophobicContact CB-CH2 3.29Å; R561-W587 HydrophobicContact CB-CZ2 3.89Å; R561-W587 HydrophobicContact CB-CZ3 3.54Å; R561-W587 HydrophobicContact CG-CH2 4.37Å; I562-W587 HydrophobicContact CG1-CH2 3.83Å; E566-W587 HydrophobicContact CB-CE3 4.25Å; E566-W587 HydrophobicContact CB-CZ3 4.08Å; E566-W587 HydrophobicContact CG-CE3 4.02Å; E566-W587 HydrophobicContact CG-CZ3 4.35Å; Y568-W587 HydrophobicContact CD1-CH2 4.47Å; Y568-W587 AromaticContact CD1-CZ3 3.95Å; Y568-W587 HydrophobicContact CD1-CZ3 3.95Å; Y568-W587 HydrophobicContact CG-CZ3 4.2Å; V585-W587 HydrophobicContact CG1-CH2 4.45Å; V585-W587 HydrophobicContact CG1-CZ2 4.07Å; W587-G589 PolarHBondContact O-N 3.23Å
588	E	71.8	Confident	70.4	Confident	128 Å²	128	92.9 Å²	92.9	60%	0.598	56%	0.559	S	S	*	*	S	Bend	trans	-79.4	68.7	175.3	-65.9	-167.3	167.8	0	0	110.9	K567	K567-E588 HydrophobicContact CB-CB 3.89Å; K567-E588 HydrophobicContact CB-CG 4.16Å; K567-E588 WeakPolarHBondContact CD-OE2 3.2Å; K567-E588 IonicContact NZ-OE2 3.1Å; K567-E588 PolarHBondContact NZ-OE2 3.15Å; K567-E588 PolarHBondContact O-N 2.8Å
589	G	61.7	Low	69.4	Low	53 Å²	53	92.9 Å²	92.9	55%	0.546	56%	0.563	S	S	.	*	S	Bend	trans	179.3	152.6	177.3	0	0	0	0	0	112.3	W587 T591	W587-G589 PolarHBondContact O-N 3.23Å; G589-T591 PolarHBondContact O-N 3.29Å; G589-T591 VanDerWaalsContact O-N 3.11Å
590	A	44.5	Very low	68.8	Low	111 Å²	111	96 Å²	96	92%	0.917	57%	0.567	S	S	*	*			trans	-68.6	108.7	179.8	0	0	0	0	0	111.1	A592	A590-A592 PolarHBondContact O-N 2.9Å
591	T	42.8	Very low	67.9	Low	94 Å²	94	93.3 Å²	93.3	58%	0.577	57%	0.567	S	S	*	*			trans	-69	120.8	160	48.7	0	0	0	0	108.4	G589 S593	G589-T591 PolarHBondContact O-N 3.29Å; G589-T591 VanDerWaalsContact O-N 3.11Å; T591-S593 PolarHBondContact O-N 3.42Å
592	A	36.8	Very low	66.5	Low	105 Å²	105	95.8 Å²	95.8	87%	0.868	58%	0.582	S	S	*	*			trans	-67.1	127.3	162.9	0	0	0	0	0	108.4	A590	A590-A592 PolarHBondContact O-N 2.9Å
593	S	32.6	Very low	64.7	Low	186 Å²	186	97.8 Å²	97.8	100%	1.301	60%	0.604	S	S	*	*			trans	-98.1	0	167.4	-58.3	0	0	0	0	110.2	T591	T591-S593 PolarHBondContact O-N 3.42Å

Retrieved 593 of 593 residues in 2509.7 ms (Link to these results)

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